A0A093H2Z0_STRCA Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A093H2Z0, Species STRCA (Struthio camelus australis), Gene n/a, Length 608 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	49.5	Very low	71.6	Confident	251 Å²	251	125.1 Å²	125.1	100%	1.236	64%	0.642	S	S	*	*				0	69.4	0	-66.7	172.4	-169.4	0	0	110.4
2	G	56.8	Low	72.5	Confident	58 Å²	58	117.6 Å²	117.6	60%	0.598	62%	0.619	S	S	*	*			trans	-133.1	3.4	-176.8	0	0	0	0	0	115.4
3	S	66.1	Low	73.3	Confident	72 Å²	72	113.2 Å²	113.2	50%	0.503	60%	0.603	S	S	.	*	H	α-helix	trans	-94.4	-24.4	-172.5	-175.1	0	0	0	0	113.8	R7	S3-R7 WeakPolarHBondContact O-CG 3.33Å
4	V	69.3	Low	74.2	Confident	96 Å²	96	113.1 Å²	113.1	58%	0.582	60%	0.602	S	S	*	*	H	α-helix	trans	-83.2	-43.7	-173	179.3	0	0	0	0	111.2	L6 R7 Y8	V4-L6 PolarHBondContact O-N 2.7Å; V4-R7 PolarHBondContact O-N 2.86Å; V4-Y8 HydrophobicContact CG1-CD2 3.69Å; V4-Y8 HydrophobicContact CG1-CE2 3.34Å; V4-Y8 WeakPolarHBondContact O-CD2 3.45Å; V4-Y8 PolarHBondContact O-N 2.98Å; V4-Y8 VanDerWaalsContact O-N 3.13Å
5	T	72.6	Confident	75.1	Confident	110 Å²	110	115.4 Å²	115.4	68%	0.675	60%	0.604	S	S	*	*	H	α-helix	trans	-65.8	-38.5	-178.2	-24.4	0	0	0	0	112.7	Y8 F9	T5-Y8 PolarHBondContact O-N 3.24Å; T5-F9 WeakPolarHBondContact O-CB 3.37Å; T5-F9 PolarHBondContact O-N 2.67Å
6	L	74.8	Confident	75.7	Confident	114 Å²	114	112.9 Å²	112.9	60%	0.597	60%	0.596	S	S	*	*	H	α-helix	trans	-68.2	-36.5	177.1	-172.1	67.1	0	0	0	111.7	V4 F9 C10	V4-L6 PolarHBondContact O-N 2.7Å; L6-F9 PolarHBondContact O-N 3.09Å; L6-C10 WeakPolarHBondContact O-CB 3.48Å; L6-C10 PolarHBondContact O-N 3.05Å; L6-C10 PolarHBondContact O-SG 3.44Å
7	R	74.4	Confident	76.2	Confident	158 Å²	158	110.4 Å²	110.4	60%	0.596	59%	0.589	S	S	*	*	H	α-helix	trans	-63.8	-46.2	175.2	-76.8	178.3	179.4	-173	0.8	111.3	S3 V4 F9 C10 Y11	S3-R7 WeakPolarHBondContact O-CG 3.33Å; V4-R7 PolarHBondContact O-N 2.86Å; R7-F9 VanDerWaalsContact C-N 3.35Å; R7-F9 PolarHBondContact O-N 2.66Å; R7-C10 PolarHBondContact O-N 3.06Å; R7-Y11 HydrophobicContact CB-CD2 4.5Å; R7-Y11 HydrophobicContact CB-CE2 4.17Å; R7-Y11 WeakPolarHBondContact O-CD2 3.28Å; R7-Y11 PolarHBondContact O-N 2.69Å
8	Y	80.9	Confident	76.9	Confident	164 Å²	164	108.4 Å²	108.4	64%	0.643	58%	0.582	S	S	*	*	H	α-helix	trans	-67.3	-34	176.9	-71.6	-64.8	0	0	0	113.2	V4 T5 Y11 G12	V4-Y8 HydrophobicContact CG1-CD2 3.69Å; V4-Y8 HydrophobicContact CG1-CE2 3.34Å; V4-Y8 WeakPolarHBondContact O-CD2 3.45Å; V4-Y8 PolarHBondContact O-N 2.98Å; V4-Y8 VanDerWaalsContact O-N 3.13Å; T5-Y8 PolarHBondContact O-N 3.24Å; Y8-Y11 HydrophobicContact CD1-CD2 4.39Å; Y8-Y11 PolarHBondContact O-N 3.23Å; Y8-G12 PolarHBondContact O-N 3.13Å
9	F	79	Confident	77.5	Confident	137 Å²	137	105.2 Å²	105.2	60%	0.601	57%	0.566	S	S	*	*	H	α-helix	trans	-63.6	-46.5	171.9	-177.4	-99.5	0	0	0	111.7	T5 L6 R7 Y11 G12 C13	T5-F9 WeakPolarHBondContact O-CB 3.37Å; T5-F9 PolarHBondContact O-N 2.67Å; L6-F9 PolarHBondContact O-N 3.09Å; R7-F9 VanDerWaalsContact C-N 3.35Å; R7-F9 PolarHBondContact O-N 2.66Å; F9-Y11 PolarHBondContact O-N 3.13Å; F9-G12 PolarHBondContact O-N 2.88Å; F9-G12 VanDerWaalsContact O-N 3.17Å; F9-C13 PolarHBondContact O-N 3.2Å; F9-C13 PolarHBondContact O-SG 3.13Å
10	C	79.5	Confident	77.8	Confident	65 Å²	65	108.6 Å²	108.6	44%	0.439	57%	0.571	S	S	.	*	H	α-helix	trans	-63.6	-39.4	176.1	-69.4	0	0	0	0	112.3	L6 R7 G12 C13 L14	L6-C10 WeakPolarHBondContact O-CB 3.48Å; L6-C10 PolarHBondContact O-N 3.05Å; L6-C10 PolarHBondContact O-SG 3.44Å; R7-C10 PolarHBondContact O-N 3.06Å; C10-G12 VanDerWaalsContact C-N 3.33Å; C10-C13 PolarHBondContact O-N 2.88Å; C10-L14 WeakPolarHBondContact O-CB 3.35Å; C10-L14 PolarHBondContact O-N 2.92Å
11	Y	84.5	Confident	78.2	Confident	151 Å²	151	107.6 Å²	107.6	59%	0.592	57%	0.569	S	S	*	*	H	α-helix	trans	-64.2	-37.8	173	-69.3	-47.9	0	0	0	112.2	R7 Y8 F9 L14 F15	R7-Y11 HydrophobicContact CB-CD2 4.5Å; R7-Y11 HydrophobicContact CB-CE2 4.17Å; R7-Y11 WeakPolarHBondContact O-CD2 3.28Å; R7-Y11 PolarHBondContact O-N 2.69Å; Y8-Y11 HydrophobicContact CD1-CD2 4.39Å; Y8-Y11 PolarHBondContact O-N 3.23Å; F9-Y11 PolarHBondContact O-N 3.13Å; Y11-L14 PolarHBondContact O-N 2.76Å; Y11-F15 VanDerWaalsContact O-CB 3.3Å; Y11-F15 WeakPolarHBondContact O-CB 3.44Å; Y11-F15 PolarHBondContact O-N 3.49Å
12	G	83	Confident	80	Confident	35 Å²	35	100.4 Å²	100.4	36%	0.361	54%	0.535	S	S	.	.	H	α-helix	trans	-60.6	-49.5	172.4	0	0	0	0	0	112.1	Y8 F9 C10 L14 F15 T16	Y8-G12 PolarHBondContact O-N 3.13Å; F9-G12 PolarHBondContact O-N 2.88Å; F9-G12 VanDerWaalsContact O-N 3.17Å; C10-G12 VanDerWaalsContact C-N 3.33Å; G12-L14 PolarHBondContact O-N 3.09Å; G12-F15 PolarHBondContact O-N 3.26Å; G12-T16 VanDerWaalsContact O-CG2 3.32Å; G12-T16 WeakPolarHBondContact O-CG2 3.42Å; G12-T16 PolarHBondContact O-N 3.37Å; G12-T16 PolarHBondContact O-OG1 3.03Å
13	C	83	Confident	81.2	Confident	61 Å²	61	102.9 Å²	102.9	41%	0.412	53%	0.534	S	S	.	.	H	α-helix	trans	-60.1	-44.4	176.7	-67.9	0	0	0	0	112	F9 C10 T16 S17	F9-C13 PolarHBondContact O-N 3.2Å; F9-C13 PolarHBondContact O-SG 3.13Å; C10-C13 PolarHBondContact O-N 2.88Å; C13-T16 WeakPolarHBondContact CA-OG1 3.2Å; C13-T16 PolarHBondContact O-N 3.23Å; C13-T16 PolarHBondContact O-OG1 3.26Å; C13-S17 WeakPolarHBondContact O-CB 3.44Å; C13-S17 PolarHBondContact O-N 3.34Å
14	L	85.5	Confident	81.8	Confident	112 Å²	112	103 Å²	103	59%	0.586	53%	0.529	S	S	*	.	H	α-helix	trans	-62.3	-45.5	177	-114.3	148.7	0	0	0	111.9	C10 Y11 G12 S17 V18	C10-L14 WeakPolarHBondContact O-CB 3.35Å; C10-L14 PolarHBondContact O-N 2.92Å; Y11-L14 PolarHBondContact O-N 2.76Å; G12-L14 PolarHBondContact O-N 3.09Å; L14-S17 PolarHBondContact O-N 2.93Å; L14-V18 VanDerWaalsContact O-CG2 3.31Å; L14-V18 WeakPolarHBondContact O-CG2 3.3Å; L14-V18 PolarHBondContact O-N 2.85Å
15	F	88.1	Confident	82.5	Confident	147 Å²	147	104.6 Å²	104.6	65%	0.645	53%	0.528	S	S	*	.	H	α-helix	trans	-62.9	-46.1	178	-169.3	-96	0	0	0	111.1	Y11 G12 S17 V18 T19	Y11-F15 VanDerWaalsContact O-CB 3.3Å; Y11-F15 WeakPolarHBondContact O-CB 3.44Å; Y11-F15 PolarHBondContact O-N 3.49Å; G12-F15 PolarHBondContact O-N 3.26Å; F15-S17 VanDerWaalsContact C-N 3.34Å; F15-S17 PolarHBondContact O-N 3.42Å; F15-V18 PolarHBondContact O-N 3.38Å; F15-T19 HydrophobicContact CD1-CG2 4.03Å; F15-T19 HydrophobicContact CE1-CG2 3.71Å; F15-T19 HydrophobicContact CZ-CG2 4.09Å; F15-T19 WeakPolarHBondContact O-CG2 3.36Å; F15-T19 PolarHBondContact O-N 3.23Å; F15-T19 PolarHBondContact O-OG1 3.09Å; F15-T19 VanDerWaalsContact O-OG1 3.06Å
16	T	83.6	Confident	82.8	Confident	76 Å²	76	102.7 Å²	102.7	47%	0.466	52%	0.517	S	S	.	.	H	α-helix	trans	-61.9	-40.3	177.4	58.1	0	0	0	0	112.5	G12 C13 T19 W20	G12-T16 VanDerWaalsContact O-CG2 3.32Å; G12-T16 WeakPolarHBondContact O-CG2 3.42Å; G12-T16 PolarHBondContact O-N 3.37Å; G12-T16 PolarHBondContact O-OG1 3.03Å; C13-T16 WeakPolarHBondContact CA-OG1 3.2Å; C13-T16 PolarHBondContact O-N 3.23Å; C13-T16 PolarHBondContact O-OG1 3.26Å; T16-T19 VanDerWaalsContact CA-OG1 3.27Å; T16-T19 WeakPolarHBondContact CA-OG1 3.45Å; T16-T19 PolarHBondContact O-N 3.41Å; T16-T19 PolarHBondContact O-OG1 3.35Å; T16-W20 WeakPolarHBondContact O-CB 3.06Å; T16-W20 PolarHBondContact O-N 2.98Å
17	S	84.8	Confident	82.9	Confident	69 Å²	69	104.6 Å²	104.6	48%	0.483	52%	0.517	S	S	.	.	H	α-helix	trans	-64.8	-44.2	176.7	-174.9	0	0	0	0	111.4	C13 L14 F15 W20 T21	C13-S17 WeakPolarHBondContact O-CB 3.44Å; C13-S17 PolarHBondContact O-N 3.34Å; L14-S17 PolarHBondContact O-N 2.93Å; F15-S17 VanDerWaalsContact C-N 3.34Å; F15-S17 PolarHBondContact O-N 3.42Å; S17-W20 PolarHBondContact O-N 2.75Å; S17-T21 PolarHBondContact O-N 2.9Å; S17-T21 PolarHBondContact O-OG1 3.02Å
18	V	89.2	Confident	82.7	Confident	76 Å²	76	103.3 Å²	103.3	46%	0.461	52%	0.516	S	S	.	.	H	α-helix	trans	-65	-41.6	177.7	171.6	0	0	0	0	110.9	L14 F15 W20 T21 L22	L14-V18 VanDerWaalsContact O-CG2 3.31Å; L14-V18 WeakPolarHBondContact O-CG2 3.3Å; L14-V18 PolarHBondContact O-N 2.85Å; F15-V18 PolarHBondContact O-N 3.38Å; V18-W20 PolarHBondContact O-N 3.15Å; V18-T21 PolarHBondContact O-N 3.17Å; V18-L22 HydrophobicContact CG1-CD1 4.05Å; V18-L22 WeakPolarHBondContact O-CB 3.42Å; V18-L22 PolarHBondContact O-N 3.13Å
19	T	88.1	Confident	82.1	Confident	46 Å²	46	99.4 Å²	99.4	28%	0.282	51%	0.506	S	S	.	.	H	α-helix	trans	-65	-38.5	176.4	51.6	0	0	0	0	112.6	F15 T16 L22 L23	F15-T19 HydrophobicContact CD1-CG2 4.03Å; F15-T19 HydrophobicContact CE1-CG2 3.71Å; F15-T19 HydrophobicContact CZ-CG2 4.09Å; F15-T19 WeakPolarHBondContact O-CG2 3.36Å; F15-T19 PolarHBondContact O-N 3.23Å; F15-T19 PolarHBondContact O-OG1 3.09Å; F15-T19 VanDerWaalsContact O-OG1 3.06Å; T16-T19 VanDerWaalsContact CA-OG1 3.27Å; T16-T19 WeakPolarHBondContact CA-OG1 3.45Å; T16-T19 PolarHBondContact O-N 3.41Å; T16-T19 PolarHBondContact O-OG1 3.35Å; T19-L22 PolarHBondContact O-N 2.95Å; T19-L23 WeakPolarHBondContact O-CB 3.4Å; T19-L23 WeakPolarHBondContact O-CG 3.42Å; T19-L23 PolarHBondContact O-N 3.35Å
20	W	83	Confident	81	Confident	173 Å²	173	101 Å²	101	66%	0.655	51%	0.513	S	S	*	.	H	α-helix	trans	-68.4	-40.5	176.1	-99.1	95	0	0	0	112.1	T16 S17 V18 L23 L24	T16-W20 WeakPolarHBondContact O-CB 3.06Å; T16-W20 PolarHBondContact O-N 2.98Å; S17-W20 PolarHBondContact O-N 2.75Å; V18-W20 PolarHBondContact O-N 3.15Å; W20-L23 PolarHBondContact O-N 2.82Å; W20-L24 HydrophobicContact CE3-CD1 4.11Å; W20-L24 WeakPolarHBondContact O-CB 3.4Å; W20-L24 PolarHBondContact O-N 2.94Å
21	T	87.3	Confident	79.6	Confident	88 Å²	88	101.6 Å²	101.6	54%	0.54	52%	0.518	S	S	.	.	H	α-helix	trans	-65.1	-39.7	175.6	-54.4	0	0	0	0	111.5	S17 V18 L24 F25	S17-T21 PolarHBondContact O-N 2.9Å; S17-T21 PolarHBondContact O-OG1 3.02Å; V18-T21 PolarHBondContact O-N 3.17Å; T21-L24 PolarHBondContact O-N 2.86Å; T21-F25 VanDerWaalsContact O-CB 3.26Å; T21-F25 WeakPolarHBondContact O-CB 3.48Å; T21-F25 PolarHBondContact O-N 2.7Å
22	L	86.4	Confident	77.8	Confident	100 Å²	100	102.3 Å²	102.3	52%	0.524	53%	0.527	S	S	.	.	H	α-helix	trans	-65.1	-42.9	173.7	-91.5	159	0	0	0	112.2	V18 T19 F25 V26	V18-L22 HydrophobicContact CG1-CD1 4.05Å; V18-L22 WeakPolarHBondContact O-CB 3.42Å; V18-L22 PolarHBondContact O-N 3.13Å; T19-L22 PolarHBondContact O-N 2.95Å; L22-F25 PolarHBondContact O-N 3.48Å; L22-V26 WeakPolarHBondContact O-CB 3.31Å; L22-V26 VanDerWaalsContact O-CG2 3.29Å; L22-V26 WeakPolarHBondContact O-CG2 3.31Å; L22-V26 PolarHBondContact O-N 2.91Å
23	L	82.9	Confident	75.8	Confident	110 Å²	110	108.5 Å²	108.5	58%	0.576	55%	0.546	S	S	*	.	H	α-helix	trans	-64.8	-40.6	175.8	-80.4	166.5	0	0	0	112.1	T19 W20 V26 Y27	T19-L23 WeakPolarHBondContact O-CB 3.4Å; T19-L23 WeakPolarHBondContact O-CG 3.42Å; T19-L23 PolarHBondContact O-N 3.35Å; W20-L23 PolarHBondContact O-N 2.82Å; L23-V26 PolarHBondContact O-N 3.3Å; L23-Y27 VanDerWaalsContact O-CB 3.24Å; L23-Y27 WeakPolarHBondContact O-CB 3.47Å; L23-Y27 PolarHBondContact O-N 3.47Å
24	L	78.3	Confident	73.7	Confident	76 Å²	76	112 Å²	112	40%	0.398	57%	0.565	S	S	.	*	H	α-helix	trans	-64.5	-41.8	173.1	-93.5	150.9	0	0	0	111.5	W20 T21 Y27 F28	W20-L24 HydrophobicContact CE3-CD1 4.11Å; W20-L24 WeakPolarHBondContact O-CB 3.4Å; W20-L24 PolarHBondContact O-N 2.94Å; T21-L24 PolarHBondContact O-N 2.86Å; L24-Y27 PolarHBondContact O-N 2.91Å; L24-F28 HydrophobicContact CD2-CD2 4.21Å; L24-F28 HydrophobicContact CD2-CE2 3.54Å; L24-F28 HydrophobicContact CD2-CZ 4.28Å; L24-F28 WeakPolarHBondContact O-CD2 3.39Å; L24-F28 PolarHBondContact O-N 3.41Å
25	F	83.3	Confident	71.1	Confident	129 Å²	129	114.2 Å²	114.2	57%	0.566	57%	0.573	S	S	*	*	H	α-helix	trans	-62.9	-44.9	175.9	-179.5	-95.9	0	0	0	111.4	T21 L22 F28 N29	T21-F25 VanDerWaalsContact O-CB 3.26Å; T21-F25 WeakPolarHBondContact O-CB 3.48Å; T21-F25 PolarHBondContact O-N 2.7Å; L22-F25 PolarHBondContact O-N 3.48Å; F25-F28 PolarHBondContact O-N 2.84Å; F25-N29 WeakPolarHBondContact CD2-ND2 3.38Å; F25-N29 WeakPolarHBondContact CE1-ND2 3.34Å; F25-N29 WeakPolarHBondContact CE2-ND2 3.4Å; F25-N29 WeakPolarHBondContact CZ-ND2 3.37Å; F25-N29 WeakPolarHBondContact O-CB 3.26Å; F25-N29 PolarHBondContact O-N 3.46Å; F25-N29 PolarHBondContact O-ND2 3.25Å
26	V	78.9	Confident	68.4	Low	70 Å²	70	112.3 Å²	112.3	42%	0.424	58%	0.578	S	S	.	*	H	α-helix	trans	-63.6	-43.1	174.2	171.5	0	0	0	0	110.6	L22 L23 F28 N29 F30	L22-V26 WeakPolarHBondContact O-CB 3.31Å; L22-V26 VanDerWaalsContact O-CG2 3.29Å; L22-V26 WeakPolarHBondContact O-CG2 3.31Å; L22-V26 PolarHBondContact O-N 2.91Å; L23-V26 PolarHBondContact O-N 3.3Å; V26-F28 PolarHBondContact O-N 3.2Å; V26-N29 PolarHBondContact O-N 3.16Å; V26-F30 HydrophobicContact CG1-CD2 3.83Å; V26-F30 HydrophobicContact CG1-CE2 4.36Å; V26-F30 VanDerWaalsContact O-CB 3.31Å; V26-F30 WeakPolarHBondContact O-CB 3.34Å; V26-F30 PolarHBondContact O-N 2.82Å
27	Y	78.1	Confident	65.8	Low	153 Å²	153	117.1 Å²	117.1	60%	0.6	59%	0.593	S	S	*	*	H	α-helix	trans	-59.2	-46.2	175.9	177.8	-94.3	0	0	0	111.8	L23 L24 S31	L23-Y27 VanDerWaalsContact O-CB 3.24Å; L23-Y27 WeakPolarHBondContact O-CB 3.47Å; L23-Y27 PolarHBondContact O-N 3.47Å; L24-Y27 PolarHBondContact O-N 2.91Å; Y27-S31 WeakPolarHBondContact O-CA 3.15Å; Y27-S31 WeakPolarHBondContact O-CB 3.21Å; Y27-S31 PolarHBondContact O-N 3.43Å
28	F	69	Low	63.2	Low	131 Å²	131	122 Å²	122	58%	0.575	61%	0.605	S	S	*	*	H	α-helix	trans	-69.9	-38.3	178.5	-77	-61.8	0	0	0	113	L24 F25 V26	L24-F28 HydrophobicContact CD2-CD2 4.21Å; L24-F28 HydrophobicContact CD2-CE2 3.54Å; L24-F28 HydrophobicContact CD2-CZ 4.28Å; L24-F28 WeakPolarHBondContact O-CD2 3.39Å; L24-F28 PolarHBondContact O-N 3.41Å; F25-F28 PolarHBondContact O-N 2.84Å; V26-F28 PolarHBondContact O-N 3.2Å
29	N	68.6	Low	60.4	Low	82 Å²	82	125.1 Å²	125.1	44%	0.439	62%	0.619	S	S	.	*	H	α-helix	trans	-75.4	-33.4	179	-78.4	-90.9	0	0	0	113	F25 V26	F25-N29 WeakPolarHBondContact CD2-ND2 3.38Å; F25-N29 WeakPolarHBondContact CE1-ND2 3.34Å; F25-N29 WeakPolarHBondContact CE2-ND2 3.4Å; F25-N29 WeakPolarHBondContact CZ-ND2 3.37Å; F25-N29 WeakPolarHBondContact O-CB 3.26Å; F25-N29 PolarHBondContact O-N 3.46Å; F25-N29 PolarHBondContact O-ND2 3.25Å; V26-N29 PolarHBondContact O-N 3.16Å
30	F	55.6	Low	57.5	Low	172 Å²	172	129.2 Å²	129.2	75%	0.754	64%	0.644	S	S	*	*	H	α-helix	trans	-87.3	-14.5	175	-86.7	-91.7	0	0	0	113.5	V26	V26-F30 HydrophobicContact CG1-CD2 3.83Å; V26-F30 HydrophobicContact CG1-CE2 4.36Å; V26-F30 VanDerWaalsContact O-CB 3.31Å; V26-F30 WeakPolarHBondContact O-CB 3.34Å; V26-F30 PolarHBondContact O-N 2.82Å
31	S	49.6	Very low	55.1	Low	77 Å²	77	127 Å²	127	54%	0.538	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.6	-3.8	168.5	-175.6	0	0	0	0	112.6	Y27	Y27-S31 WeakPolarHBondContact O-CA 3.15Å; Y27-S31 WeakPolarHBondContact O-CB 3.21Å; Y27-S31 PolarHBondContact O-N 3.43Å
32	E	47.6	Very low	52.3	Low	166 Å²	166	129.2 Å²	129.2	78%	0.776	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	3.6	179.9	-109.7	-172.4	171.7	0	0	115.4
33	E	40.8	Very low	49.7	Very low	165 Å²	165	134.4 Å²	134.4	77%	0.771	68%	0.683	S	S	*	*	S	Bend	trans	-125.9	126.6	164.2	-89.4	-167.3	157.1	0	0	113.2
34	T	38.1	Very low	47	Very low	133 Å²	133	132.5 Å²	132.5	82%	0.816	69%	0.69	S	S	*	*	S	Bend	trans	82.1	65.2	172.6	69.1	0	0	0	0	118.4
35	Q	32.6	Very low	44.6	Very low	160 Å²	160	137.5 Å²	137.5	75%	0.748	72%	0.716	S	S	*	*				-155.8	108.1	124.1	-108.8	171.1	26.7	0	0	111	F37	Q35-F37 VanDerWaalsContact C-N 3.33Å; Q35-F37 HydrophobicContact CB-CD2 4.31Å; Q35-F37 HydrophobicContact CB-CE2 4.18Å; Q35-F37 PolarHBondContact O-N 2.98Å
36	S	30.8	Very low	42	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	73%	0.73	S	S	*	*			trans	-65.7	88.4	171.9	161.2	0	0	0	0	110.1	K38	S36-K38 VanDerWaalsContact C-N 3.29Å; S36-K38 PolarHBondContact O-N 2.89Å
37	F	29.7	Very low	40.2	Very low	178 Å²	178	141.9 Å²	141.9	78%	0.781	74%	0.743	S	S	*	*			trans	-80.9	81.1	158.1	-78.5	-80.3	0	0	0	108.9	Q35	Q35-F37 VanDerWaalsContact C-N 3.33Å; Q35-F37 HydrophobicContact CB-CD2 4.31Å; Q35-F37 HydrophobicContact CB-CE2 4.18Å; Q35-F37 PolarHBondContact O-N 2.98Å
38	K	30.3	Very low	37.8	Very low	171 Å²	171	143.2 Å²	143.2	74%	0.743	75%	0.754	S	S	*	*			trans	-81.2	117.5	160.9	-92	-176.1	177.2	176.3	0	108.7	S36	S36-K38 VanDerWaalsContact C-N 3.29Å; S36-K38 PolarHBondContact O-N 2.89Å
39	N	29.8	Very low	35.8	Very low	142 Å²	142	148.4 Å²	148.4	76%	0.759	77%	0.77	S	S	*	*			trans	103.6	76.1	150.8	-50.3	-22.4	0	0	0	117.7
40	V	27.2	Very low	34.1	Very low	131 Å²	131	150 Å²	150	79%	0.794	79%	0.785	S	S	*	*			trans	-136.8	113.7	139.2	-174.1	0	0	0	0	108.4	V42	V40-V42 HydrophobicContact CG1-CG2 4.44Å
41	P	31.3	Very low	32.8	Very low	126 Å²	126	151.9 Å²	151.9	82%	0.818	79%	0.793	S	S	*	*			trans	-91.9	113.7	167.1	16.1	0.3	0	0	0	110
42	V	29.2	Very low	31.9	Very low	135 Å²	135	154 Å²	154	82%	0.818	81%	0.805	S	S	*	*			trans	-96.5	113.2	156.2	178.6	0	0	0	0	107.4	V40	V40-V42 HydrophobicContact CG1-CG2 4.44Å
43	K	30.9	Very low	31	Very low	210 Å²	210	155.6 Å²	155.6	91%	0.913	81%	0.809	S	S	*	*			trans	-143	115.8	158.8	-103.4	-174	178.9	-178.6	0	109.1
44	G	26.4	Very low	30.6	Very low	69 Å²	69	156.7 Å²	156.7	71%	0.711	81%	0.812	S	S	*	*			trans	-107.1	125.4	163	0	0	0	0	0	110
45	L	29.3	Very low	30	Very low	181 Å²	181	160.3 Å²	160.3	95%	0.948	82%	0.816	S	S	*	*			trans	161.9	119	138	-90.7	147.9	0	0	0	108.9
46	E	27.2	Very low	29.8	Very low	185 Å²	185	160.6 Å²	160.6	86%	0.864	82%	0.816	S	S	*	*			trans	-57.9	178.6	-171.7	-75.8	-168.3	150.5	0	0	117.1
47	P	42.9	Very low	29.7	Very low	106 Å²	106	161.1 Å²	161.1	69%	0.688	82%	0.816	S	S	*	*			cis	-141.6	169.8	17.7	36.1	-13.4	0	0	0	119.5
48	Q	27.1	Very low	29.4	Very low	181 Å²	181	164.5 Å²	164.5	85%	0.846	82%	0.824	S	S	*	*			trans	96.5	104.2	159.3	-52.7	-156.1	10.1	0	0	120.8
49	R	25.7	Very low	29.3	Very low	241 Å²	241	166.1 Å²	166.1	91%	0.909	83%	0.831	S	S	*	*			trans	23	162	139.8	-63.5	-175.4	-179.7	-173.5	1.3	122.1
50	P	33.6	Very low	29.2	Very low	116 Å²	116	166.1 Å²	166.1	75%	0.753	84%	0.837	S	S	*	*			cis	-124.4	162	-22.8	34.6	-16.7	0	0	0	114.2
51	F	29	Very low	29.2	Very low	210 Å²	210	172.1 Å²	172.1	92%	0.921	85%	0.845	S	S	*	*			trans	-64	146.2	178.7	-78.8	-92.5	0	0	0	115.5
52	P	31.2	Very low	28.8	Very low	121 Å²	121	169.6 Å²	169.6	79%	0.786	84%	0.843	S	S	*	*			trans	-101.8	118.3	158.6	33.3	-23	0	0	0	113.4
53	K	28.2	Very low	28.8	Very low	200 Å²	200	169.3 Å²	169.3	87%	0.87	84%	0.843	S	S	*	*			trans	25.5	119.1	140.9	-64.1	178.9	-179.5	176.5	0	121.6
54	K	32.1	Very low	28.6	Very low	188 Å²	188	166.3 Å²	166.3	82%	0.817	84%	0.842	S	S	*	*			trans	11.1	126.2	133.6	-69.4	178.8	176.8	-179.1	0	117.7	F56	K54-F56 HydrophobicContact CD-CE2 4.48Å
55	F	25.2	Very low	28.4	Very low	209 Å²	209	174.6 Å²	174.6	92%	0.917	85%	0.852	S	S	*	*			trans	-112.3	125	164.6	-135.7	-96.8	0	0	0	110.6
56	F	27.6	Very low	28.1	Very low	167 Å²	167	174.6 Å²	174.6	73%	0.732	85%	0.849	S	S	*	*			trans	-114.4	137.2	168.1	-81.8	-87.9	0	0	0	107.7	K54	K54-F56 HydrophobicContact CD-CE2 4.48Å
57	P	28.5	Very low	27.9	Very low	116 Å²	116	171.6 Å²	171.6	75%	0.753	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-82.9	133.7	173	30.5	-28.4	0	0	0	111.4
58	R	25	Very low	27	Very low	249 Å²	249	171 Å²	171	94%	0.94	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-79.8	136.2	176.7	-85.1	177.5	169.3	175.3	-3.6	111.4
59	F	26.8	Very low	26.9	Very low	205 Å²	205	170 Å²	170	90%	0.899	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-77.7	137.8	164.5	-80.6	-93.8	0	0	0	111.5
60	T	28.1	Very low	26.8	Very low	143 Å²	143	166.8 Å²	166.8	88%	0.877	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-101.4	127.2	162.7	37.4	0	0	0	0	110
61	R	28.2	Very low	26.4	Very low	256 Å²	256	173.1 Å²	173.1	97%	0.966	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-97	136.7	171.2	-82.4	-178.9	169.9	176.3	-2.8	109.4
62	G	22.9	Very low	26.2	Very low	74 Å²	74	175 Å²	175	76%	0.763	86%	0.855	S	S	*	*			trans	-171	141.8	162.7	0	0	0	0	0	110.9
63	P	29.2	Very low	25.9	Very low	129 Å²	129	179.3 Å²	179.3	84%	0.838	86%	0.861	S	S	*	*			trans	-105.8	147.6	-149.7	37.4	-28.8	0	0	0	114
64	V	25.4	Very low	25.7	Very low	147 Å²	147	175.4 Å²	175.4	89%	0.891	86%	0.859	S	S	*	*			trans	-134.5	126.8	160	-177.2	0	0	0	0	109.4
65	R	22.8	Very low	25.4	Very low	242 Å²	242	176.6 Å²	176.6	91%	0.913	86%	0.864	S	S	*	*			trans	-71.1	141	178.6	-76.3	174.7	167.9	175.8	-4.3	111.2
66	M	23.1	Very low	25.4	Very low	181 Å²	181	174.8 Å²	174.8	89%	0.892	86%	0.862	S	S	*	*			trans	-111.4	141.2	161	-82.9	-70.2	-136.1	0	0	109.8
67	P	23.5	Very low	25.4	Very low	122 Å²	122	170.2 Å²	170.2	79%	0.792	86%	0.863	S	S	*	*			trans	-80.6	147.6	170.5	29.2	-24.4	0	0	0	111.6
68	A	24.6	Very low	25.2	Very low	93 Å²	93	172.2 Å²	172.2	77%	0.769	87%	0.867	S	S	*	*			trans	-79.9	142.5	-172.9	0	0	0	0	0	113.6
69	L	24.5	Very low	25.7	Very low	160 Å²	160	165.1 Å²	165.1	84%	0.838	85%	0.853	S	S	*	*			trans	-153.6	111.6	147.5	-109.4	129.9	0	0	0	112.7
70	Q	24.1	Very low	25.6	Very low	174 Å²	174	165 Å²	165	81%	0.813	85%	0.852	S	S	*	*			trans	42.4	94.9	147	-74.8	170	-22.3	0	0	121.9
71	R	24.8	Very low	25.6	Very low	249 Å²	249	161.8 Å²	161.8	94%	0.94	85%	0.848	S	S	*	*				23	106.5	123.4	-109.6	179.2	-179.9	179.8	1.6	117.8
72	R	23.7	Very low	25.9	Very low	251 Å²	251	157.1 Å²	157.1	95%	0.947	84%	0.842	S	S	*	*			trans	-146.6	137.8	134.6	-106.2	176.8	-177.1	-172.3	0.6	110.6
73	K	25	Very low	26.1	Very low	210 Å²	210	160.9 Å²	160.9	91%	0.913	84%	0.84	S	S	*	*			trans	-73.4	133.7	-163.9	-67.8	170.6	173.2	176.8	0	113
74	S	23.8	Very low	26.3	Very low	119 Å²	119	161.4 Å²	161.4	83%	0.832	84%	0.84	S	S	*	*				-175	145.8	118.5	51.7	0	0	0	0	110
75	K	25.9	Very low	26.3	Very low	213 Å²	213	162 Å²	162	93%	0.926	83%	0.833	S	S	*	*			trans	-66.7	127.5	-162.8	-68.6	172.5	173.5	178.3	0	112.5
76	I	25.6	Very low	26.7	Very low	170 Å²	170	156.9 Å²	156.9	87%	0.872	82%	0.824	S	S	*	*			trans	-114.7	149.1	155.2	-70.7	176.8	0	0	0	108.2
77	G	28.2	Very low	27.2	Very low	72 Å²	72	153.4 Å²	153.4	74%	0.742	82%	0.815	S	S	*	*			trans	-47.3	168.5	-174.9	0	0	0	0	0	117.9
78	N	24.6	Very low	27.6	Very low	158 Å²	158	153.9 Å²	153.9	85%	0.845	82%	0.815	S	S	*	*			trans	-122.8	140.4	157.3	-145.1	17.9	0	0	0	108.3
79	P	34	Very low	28	Very low	100 Å²	100	159.8 Å²	159.8	65%	0.649	82%	0.824	S	S	*	*			trans	-102.6	122	-156.9	37.3	-29.7	0	0	0	112.1
80	F	24.7	Very low	28.3	Very low	201 Å²	201	154.5 Å²	154.5	88%	0.882	81%	0.807	S	S	*	*			trans	-146	94.8	154.9	-85.9	-80.2	0	0	0	106.6	N82	F80-N82 PolarHBondContact O-N 3.27Å; F80-N82 VanDerWaalsContact O-N 3.12Å
81	G	29.3	Very low	29	Very low	76 Å²	76	155.1 Å²	155.1	78%	0.784	81%	0.81	S	S	*	*			trans	-79.1	89.7	-179.2	0	0	0	0	0	111.2
82	N	34.2	Very low	30.1	Very low	159 Å²	159	146.8 Å²	146.8	85%	0.85	79%	0.787	S	S	*	*			trans	-127.1	84.7	148.1	-95.6	-4.1	0	0	0	105.9	F80	F80-N82 PolarHBondContact O-N 3.27Å; F80-N82 VanDerWaalsContact O-N 3.12Å
83	H	27	Very low	31.4	Very low	153 Å²	153	141.6 Å²	141.6	71%	0.708	78%	0.778	S	S	*	*			trans	-131.7	97.7	169	-87.3	-60.1	0	0	0	107.8	Q85	H83-Q85 HydrophobicContact CB-CG 4.23Å; H83-Q85 PolarHBondContact O-N 3.3Å; H83-Q85 VanDerWaalsContact O-N 3.1Å
84	V	33.3	Very low	33.1	Very low	139 Å²	139	135.3 Å²	135.3	84%	0.842	75%	0.751	S	S	*	*			trans	-60.1	99.4	138.1	176.8	0	0	0	0	104.1	D86	V84-D86 PolarHBondContact O-N 2.76Å
85	Q	26.2	Very low	35.3	Very low	161 Å²	161	132 Å²	132	75%	0.752	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-76.6	116.2	164.8	-86	174.1	0.3	0	0	105.9	H83	H83-Q85 HydrophobicContact CB-CG 4.23Å; H83-Q85 PolarHBondContact O-N 3.3Å; H83-Q85 VanDerWaalsContact O-N 3.1Å
86	D	30.2	Very low	37.2	Very low	134 Å²	134	126 Å²	126	72%	0.717	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-48.8	129.5	153.5	-75.1	-41.8	0	0	0	107.3	V84 V88	V84-D86 PolarHBondContact O-N 2.76Å; D86-V88 PolarHBondContact O-N 3.22Å
87	P	33.5	Very low	39.6	Very low	107 Å²	107	119.2 Å²	119.2	70%	0.695	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-61.3	118.6	169.4	-6.9	20.3	0	0	0	106.3	K89	P87-K89 PolarHBondContact O-N 3.32Å
88	V	32.2	Very low	42.3	Very low	132 Å²	132	116.9 Å²	116.9	80%	0.8	65%	0.645	S	S	*	*			trans	-43.4	137.2	159.5	174.3	0	0	0	0	107.3	D86 G90	D86-V88 PolarHBondContact O-N 3.22Å; V88-G90 PolarHBondContact O-N 2.04Å
89	K	33.2	Very low	45.2	Very low	218 Å²	218	109.5 Å²	109.5	95%	0.948	61%	0.606	S	S	*	*	S	Bend	trans	-56.4	71.5	175.9	-152.6	-178.3	-167.4	-175.1	0	110.6	P87	P87-K89 PolarHBondContact O-N 3.32Å
90	G	31.5	Very low	47.9	Very low	48 Å²	48	104.7 Å²	104.7	50%	0.495	58%	0.575	S	S	.	*			trans	-117.6	132.1	172.7	0	0	0	0	0	106.1	V88 V92	V88-G90 PolarHBondContact O-N 2.04Å; G90-V92 PolarHBondContact O-N 3.15Å
91	E	37.7	Very low	51	Low	188 Å²	188	95.2 Å²	95.2	88%	0.879	53%	0.533	S	S	*	.			trans	-45.5	107.3	174.3	-69.4	169.2	147.6	0	0	109	D93	E91-D93 PolarHBondContact O-N 2.78Å
92	V	47.6	Very low	53.9	Low	73 Å²	73	96 Å²	96	44%	0.442	52%	0.515	S	S	.	.			trans	-72.4	86.6	166.8	-177.8	0	0	0	0	104.8	G90 F94 M98	G90-V92 PolarHBondContact O-N 3.15Å; V92-F94 PolarHBondContact O-N 2.91Å; V92-M98 HydrophobicContact CG1-SD 4.46Å
93	D	50.8	Low	56.6	Low	143 Å²	143	91.7 Å²	91.7	77%	0.765	49%	0.492	S	S	*	.			trans	-55.9	132.6	172.5	-165.4	9	0	0	0	107.6	E91 S95	E91-D93 PolarHBondContact O-N 2.78Å; D93-S95 PolarHBondContact O-N 3.03Å
94	F	62.7	Low	59.7	Low	78 Å²	78	91.3 Å²	91.3	34%	0.342	49%	0.491	S	S	.	.			trans	-71.9	78.4	-171.9	-146.7	-87.4	0	0	0	108.9	V92 M98 L127 T281 L282	V92-F94 PolarHBondContact O-N 2.91Å; F94-M98 HydrophobicContact CD1-CE 4.06Å; F94-M98 HydrophobicContact CD2-CE 3.84Å; F94-M98 HydrophobicContact CE1-CE 4.11Å; F94-M98 HydrophobicContact CE2-CE 3.89Å; F94-M98 HydrophobicContact CG-CE 3.93Å; F94-M98 HydrophobicContact CZ-CE 4.03Å; F94-L127 HydrophobicContact CD2-CD2 4.11Å; F94-L127 HydrophobicContact CE2-CD1 4.3Å; F94-L127 HydrophobicContact CE2-CD2 3.58Å; F94-L127 HydrophobicContact CZ-CD1 4.37Å; F94-L127 HydrophobicContact CZ-CD2 4.24Å; F94-T281 WeakPolarHBondContact CE1-O 3.22Å; F94-T281 WeakPolarHBondContact CZ-O 3.4Å; F94-L282 HydrophobicContact CZ-CB 4.46Å
95	S	69.1	Low	62.5	Low	48 Å²	48	91.1 Å²	91.1	34%	0.336	48%	0.481	S	S	.	.			trans	-59.7	130	-176	173.4	0	0	0	0	109.1	D93 E97 M98	D93-S95 PolarHBondContact O-N 3.03Å; S95-E97 PolarHBondContact O-N 2.8Å; S95-E97 PolarHBondContact OG-N 3.47Å; S95-M98 PolarHBondContact O-N 3.41Å
96	P	66	Low	65.7	Low	87 Å²	87	84.5 Å²	84.5	57%	0.565	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-21.4	172.9	-24.5	32.7	0	0	0	112.7	Y571	P96-Y571 WeakPolarHBondContact O-CE1 3.4Å
97	E	76.3	Confident	68.6	Low	29 Å²	29	80.4 Å²	80.4	14%	0.136	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	2.8	-177.8	-51.5	-172.5	147.6	0	0	113.4	S95 G99 M100 K566 R569	S95-E97 PolarHBondContact O-N 2.8Å; S95-E97 PolarHBondContact OG-N 3.47Å; E97-G99 PolarHBondContact O-N 3.43Å; E97-M100 HydrophobicContact CB-CB 4.28Å; E97-M100 HydrophobicContact CB-CE 3.95Å; E97-M100 HydrophobicContact CB-SD 4.42Å; E97-M100 HydrophobicContact CG-CE 3.72Å; E97-M100 WeakPolarHBondContact O-CB 3.44Å; E97-M100 PolarHBondContact O-N 3.44Å; E97-K566 PolarHBondContact OE1-N 3.44Å; E97-K566 VanDerWaalsContact OE1-N 3.11Å; E97-R569 IonicContact OE1-CZ 3.35Å; E97-R569 IonicContact OE1-NE 3.18Å; E97-R569 IonicContact OE1-NH2 2.76Å; E97-R569 PolarHBondContact OE1-NH2 3.17Å; E97-R569 IonicContact OE2-NH2 3.14Å; E97-R569 PolarHBondContact OE2-NH2 2.93Å
98	M	83.9	Confident	71.5	Confident	22 Å²	22	81 Å²	81	11%	0.108	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-29	-178.1	-83.1	-145.2	-70.6	0	0	114.2	V92 F94 S95 M100 R126 L127	V92-M98 HydrophobicContact CG1-SD 4.46Å; F94-M98 HydrophobicContact CD1-CE 4.06Å; F94-M98 HydrophobicContact CD2-CE 3.84Å; F94-M98 HydrophobicContact CE1-CE 4.11Å; F94-M98 HydrophobicContact CE2-CE 3.89Å; F94-M98 HydrophobicContact CG-CE 3.93Å; F94-M98 HydrophobicContact CZ-CE 4.03Å; S95-M98 PolarHBondContact O-N 3.41Å; M98-M100 VanDerWaalsContact C-N 3.3Å; M98-R126 WeakPolarHBondContact O-CD 3.42Å; M98-R126 PolarHBondContact O-NH1 2.86Å; M98-L127 HydrophobicContact CE-CD2 3.23Å; M98-L127 HydrophobicContact CE-CG 3.85Å; M98-L127 HydrophobicContact SD-CD2 4.03Å; M98-L127 HydrophobicContact SD-CG 4.3Å
99	G	86.3	Confident	74.4	Confident	3 Å²	3	76.4 Å²	76.4	3%	0.031	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	0.3	173.3	0	0	0	0	0	114.3	E97 Y571 G576	E97-G99 PolarHBondContact O-N 3.43Å; G99-Y571 VanDerWaalsContact CA-OH 3.28Å; G99-Y571 WeakPolarHBondContact CA-OH 3.43Å; G99-Y571 PolarHBondContact O-OH 3.17Å; G99-G576 WeakPolarHBondContact O-CA 3.02Å
100	M	89.5	Confident	77.2	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.349	C	S	.	.			trans	-75.5	132.1	-172.7	-166.4	177.3	-71.5	0	0	111.2	E97 M98 F102 R126 R569 Y571 C596	E97-M100 HydrophobicContact CB-CB 4.28Å; E97-M100 HydrophobicContact CB-CE 3.95Å; E97-M100 HydrophobicContact CB-SD 4.42Å; E97-M100 HydrophobicContact CG-CE 3.72Å; E97-M100 WeakPolarHBondContact O-CB 3.44Å; E97-M100 PolarHBondContact O-N 3.44Å; M98-M100 VanDerWaalsContact C-N 3.3Å; M100-F102 HydrophobicContact CB-CE1 4.39Å; M100-F102 HydrophobicContact CB-CE2 4.07Å; M100-F102 HydrophobicContact CB-CZ 3.86Å; M100-F102 HydrophobicContact CG-CD1 4.48Å; M100-F102 HydrophobicContact CG-CE1 3.96Å; M100-F102 HydrophobicContact CG-CE2 4.45Å; M100-F102 HydrophobicContact CG-CZ 3.94Å; M100-F102 WeakPolarHBondContact O-CD2 3.23Å; M100-F102 HydrophobicContact SD-CD1 4.34Å; M100-F102 HydrophobicContact SD-CE1 3.46Å; M100-F102 WeakPolarHBondContact SD-CE1 3.02Å; M100-F102 HydrophobicContact SD-CZ 3.67Å; M100-R126 PolarHBondContact O-NH1 3.01Å; M100-R126 PolarHBondContact O-NH2 3.14Å; M100-R569 PolarHBondContact SD-NH1 3.43Å; M100-R569 PolarHBondContact SD-NH2 3.49Å; M100-R569 VanDerWaalsContact SD-NH2 3.42Å; M100-Y571 HydrophobicContact CB-CD2 4.41Å; M100-Y571 HydrophobicContact CB-CE2 3.89Å; M100-Y571 HydrophobicContact CE-CD1 3.88Å; M100-Y571 HydrophobicContact CE-CD2 3.73Å; M100-Y571 HydrophobicContact CE-CE1 4.48Å; M100-Y571 HydrophobicContact CE-CE2 4.27Å; M100-Y571 HydrophobicContact CE-CG 3.53Å; M100-Y571 HydrophobicContact CG-CD2 4.05Å; M100-Y571 HydrophobicContact CG-CE2 3.95Å; M100-Y571 PolarHBondContact N-OH 3.41Å; M100-C596 HydrophobicContact CG-CB 3.56Å; M100-C596 WeakPolarHBondContact CG-SG 3.22Å; M100-C596 HydrophobicContact SD-CB 3.68Å
101	I	91.3	Very high	79.9	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.005	34%	0.339	C	S	.	.			trans	-90.1	115.6	178.3	-63.2	172.5	0	0	0	107.9	N103 D106 Q107 L122 V575 G576 Q577 I595 C596	I101-N103 VanDerWaalsContact CG2-O 3.26Å; I101-N103 WeakPolarHBondContact CG2-O 3.04Å; I101-D106 HydrophobicContact CB-CB 4.3Å; I101-D106 HydrophobicContact CG1-CB 4.45Å; I101-D106 HydrophobicContact CG2-CB 3.89Å; I101-Q107 HydrophobicContact CD1-CB 4.26Å; I101-Q107 HydrophobicContact CD1-CG 4.26Å; I101-Q107 HydrophobicContact CG2-CB 3.77Å; I101-L122 HydrophobicContact CG1-CD2 4.16Å; I101-V575 WeakPolarHBondContact CD1-O 3.13Å; I101-G576 VanDerWaalsContact CB-O 3.29Å; I101-G576 WeakPolarHBondContact CB-O 3.3Å; I101-G576 WeakPolarHBondContact CG1-O 3.43Å; I101-G576 PolarHBondContact N-O 2.78Å; I101-Q577 HydrophobicContact CD1-CG 3.91Å; I101-I595 HydrophobicContact CG2-CG1 3.95Å; I101-I595 HydrophobicContact CG2-CG2 4.3Å; I101-I595 WeakPolarHBondContact O-CG2 3.3Å; I101-C596 WeakPolarHBondContact O-CB 3.31Å; I101-C596 PolarHBondContact O-N 3.41Å
102	F	89.4	Confident	82.5	Confident	92 Å²	92	61 Å²	61	40%	0.404	32%	0.315	S	S	.	.			trans	-100.6	-19.8	179.9	-63	-71.9	0	0	0	113.2	M100 D106 I595	M100-F102 HydrophobicContact CB-CE1 4.39Å; M100-F102 HydrophobicContact CB-CE2 4.07Å; M100-F102 HydrophobicContact CB-CZ 3.86Å; M100-F102 HydrophobicContact CG-CD1 4.48Å; M100-F102 HydrophobicContact CG-CE1 3.96Å; M100-F102 HydrophobicContact CG-CE2 4.45Å; M100-F102 HydrophobicContact CG-CZ 3.94Å; M100-F102 WeakPolarHBondContact O-CD2 3.23Å; M100-F102 HydrophobicContact SD-CD1 4.34Å; M100-F102 HydrophobicContact SD-CE1 3.46Å; M100-F102 WeakPolarHBondContact SD-CE1 3.02Å; M100-F102 HydrophobicContact SD-CZ 3.67Å; F102-D106 PolarHBondContact N-OD2 2.75Å; F102-I595 WeakPolarHBondContact O-CG2 3.37Å
103	N	91.4	Very high	84.6	Confident	69 Å²	69	57.5 Å²	57.5	37%	0.369	29%	0.294	S	S	.	.	S	Bend	trans	-151.9	177.3	-177.7	57.4	44	0	0	0	111	I101 E105 D106 Q107	I101-N103 VanDerWaalsContact CG2-O 3.26Å; I101-N103 WeakPolarHBondContact CG2-O 3.04Å; N103-E105 VanDerWaalsContact C-N 3.32Å; N103-E105 PolarHBondContact O-N 3.16Å; N103-E105 WeakPolarHBondContact OD1-CB 3.4Å; N103-E105 PolarHBondContact OD1-N 3.33Å; N103-D106 PolarHBondContact O-N 3.41Å; N103-D106 PolarHBondContact OD1-N 3.37Å; N103-Q107 PolarHBondContact O-N 2.96Å
104	E	91.6	Very high	86.5	Confident	146 Å²	146	52.7 Å²	52.7	68%	0.682	27%	0.265	S	S	*	.	H	α-helix	trans	-66	-34.1	-179.8	-66.1	178.5	171.5	0	0	112.2	Q107 E108 I595	E104-Q107 WeakPolarHBondContact O-CB 3.27Å; E104-Q107 PolarHBondContact O-N 3.45Å; E104-Q107 VanDerWaalsContact O-N 3.15Å; E104-E108 WeakPolarHBondContact O-CG 3.29Å; E104-E108 PolarHBondContact O-N 3.47Å; E104-I595 HydrophobicContact CG-CD1 3.99Å
105	E	93.2	Very high	87.8	Confident	135 Å²	135	55.4 Å²	55.4	63%	0.631	28%	0.279	S	S	*	.	H	α-helix	trans	-63	-44	177.9	-176.3	179	-174.7	0	0	111.9	N103 Q107 E108 V109	N103-E105 VanDerWaalsContact C-N 3.32Å; N103-E105 PolarHBondContact O-N 3.16Å; N103-E105 WeakPolarHBondContact OD1-CB 3.4Å; N103-E105 PolarHBondContact OD1-N 3.33Å; E105-Q107 VanDerWaalsContact C-N 3.25Å; E105-Q107 PolarHBondContact O-N 3.47Å; E105-E108 PolarHBondContact O-N 2.77Å; E105-V109 VanDerWaalsContact O-CG2 3.32Å; E105-V109 WeakPolarHBondContact O-CG2 3.25Å; E105-V109 PolarHBondContact O-N 2.87Å
106	D	93.6	Very high	88.9	Confident	22 Å²	22	57.7 Å²	57.7	12%	0.118	28%	0.283	C	S	.	.	H	α-helix	trans	-57.3	-42.3	173.4	-77.4	-26.1	0	0	0	111.3	I101 F102 N103 V109 R110 L122 R126	I101-D106 HydrophobicContact CB-CB 4.3Å; I101-D106 HydrophobicContact CG1-CB 4.45Å; I101-D106 HydrophobicContact CG2-CB 3.89Å; F102-D106 PolarHBondContact N-OD2 2.75Å; N103-D106 PolarHBondContact O-N 3.41Å; N103-D106 PolarHBondContact OD1-N 3.37Å; D106-V109 PolarHBondContact O-N 3.38Å; D106-R110 WeakPolarHBondContact O-CB 3.24Å; D106-R110 PolarHBondContact O-N 3.01Å; D106-L122 HydrophobicContact CB-CD1 4.2Å; D106-L122 HydrophobicContact CB-CD2 3.94Å; D106-R126 IonicContact OD1-CZ 3.16Å; D106-R126 IonicContact OD1-NH2 3.42Å; D106-R126 PolarHBondContact OD1-NH2 3.46Å; D106-R126 IonicContact OD2-NH2 2.7Å; D106-R126 PolarHBondContact OD2-NH2 2.85Å
107	Q	90.9	Very high	90.2	Very high	47 Å²	47	53.9 Å²	53.9	22%	0.22	26%	0.257	C	S	.	.	H	α-helix	trans	-65.7	-45.5	179.6	-172.1	162.8	-2.8	0	0	111	I101 N103 E104 E105 V109 R110 D111	I101-Q107 HydrophobicContact CD1-CB 4.26Å; I101-Q107 HydrophobicContact CD1-CG 4.26Å; I101-Q107 HydrophobicContact CG2-CB 3.77Å; N103-Q107 PolarHBondContact O-N 2.96Å; E104-Q107 WeakPolarHBondContact O-CB 3.27Å; E104-Q107 PolarHBondContact O-N 3.45Å; E104-Q107 VanDerWaalsContact O-N 3.15Å; E105-Q107 VanDerWaalsContact C-N 3.25Å; E105-Q107 PolarHBondContact O-N 3.47Å; Q107-V109 PolarHBondContact O-N 3.32Å; Q107-R110 PolarHBondContact O-N 2.99Å; Q107-D111 WeakPolarHBondContact O-CB 3.2Å; Q107-D111 VanDerWaalsContact O-CG 3.24Å; Q107-D111 PolarHBondContact O-N 3.19Å
108	E	92.7	Very high	91	Very high	120 Å²	120	52.8 Å²	52.8	56%	0.561	25%	0.253	S	S	*	.	H	α-helix	trans	-59.5	-46.5	175.5	-72.7	-178.8	-179.6	0	0	111.7	E104 E105 R110 D111 L112	E104-E108 WeakPolarHBondContact O-CG 3.29Å; E104-E108 PolarHBondContact O-N 3.47Å; E105-E108 PolarHBondContact O-N 2.77Å; E108-R110 VanDerWaalsContact C-N 3.35Å; E108-R110 PolarHBondContact O-N 2.64Å; E108-D111 PolarHBondContact O-N 2.77Å; E108-L112 WeakPolarHBondContact O-CB 3.39Å; E108-L112 WeakPolarHBondContact O-CD1 3.3Å; E108-L112 WeakPolarHBondContact O-CG 3.42Å; E108-L112 PolarHBondContact O-N 3.09Å
109	V	93.7	Very high	91.4	Very high	36 Å²	36	51.7 Å²	51.7	22%	0.218	25%	0.248	C	C	.	.	H	α-helix	trans	-59.9	-45	177.8	169.3	0	0	0	0	111.1	E105 D106 Q107 G113 M121 L122	E105-V109 VanDerWaalsContact O-CG2 3.32Å; E105-V109 WeakPolarHBondContact O-CG2 3.25Å; E105-V109 PolarHBondContact O-N 2.87Å; D106-V109 PolarHBondContact O-N 3.38Å; Q107-V109 PolarHBondContact O-N 3.32Å; V109-G113 PolarHBondContact O-N 2.92Å; V109-M121 HydrophobicContact CG1-CE 3.9Å; V109-M121 WeakPolarHBondContact O-CE 3.29Å; V109-L122 HydrophobicContact CB-CD1 4.31Å; V109-L122 HydrophobicContact CG1-CB 4.09Å; V109-L122 HydrophobicContact CG1-CD1 4.01Å
110	R	91.3	Very high	91.7	Very high	6 Å²	6	51.6 Å²	51.6	2%	0.023	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-53.3	176.3	179.5	-167.2	170.1	-83.7	-3.8	110.9	D106 Q107 E108 G113 Y114 L122 S574 V575	D106-R110 WeakPolarHBondContact O-CB 3.24Å; D106-R110 PolarHBondContact O-N 3.01Å; Q107-R110 PolarHBondContact O-N 2.99Å; E108-R110 VanDerWaalsContact C-N 3.35Å; E108-R110 PolarHBondContact O-N 2.64Å; R110-G113 WeakPolarHBondContact O-CA 3.42Å; R110-G113 PolarHBondContact O-N 2.7Å; R110-G113 VanDerWaalsContact O-N 3.08Å; R110-Y114 HydrophobicContact CG-CD2 3.96Å; R110-Y114 HydrophobicContact CG-CE2 3.92Å; R110-Y114 WeakPolarHBondContact O-CD2 2.95Å; R110-Y114 PolarHBondContact O-N 2.85Å; R110-L122 HydrophobicContact CB-CB 4.13Å; R110-L122 HydrophobicContact CB-CD2 4.44Å; R110-S574 PolarHBondContact NH2-O 3.31Å; R110-V575 WeakPolarHBondContact CD-O 3.35Å; R110-V575 PolarHBondContact NE-O 2.92Å; R110-V575 VanDerWaalsContact NE-O 3.09Å
111	D	90	Very high	92	Very high	55 Å²	55	53.1 Å²	53.1	29%	0.294	25%	0.254	S	S	.	.	H	α-helix	trans	-66.7	-42.7	-171.9	-70	-10.3	0	0	0	111.1	Q107 E108 G113 Y114 Q115	Q107-D111 WeakPolarHBondContact O-CB 3.2Å; Q107-D111 VanDerWaalsContact O-CG 3.24Å; Q107-D111 PolarHBondContact O-N 3.19Å; E108-D111 PolarHBondContact O-N 2.77Å; D111-G113 VanDerWaalsContact C-N 3.29Å; D111-G113 PolarHBondContact O-N 3.18Å; D111-Y114 PolarHBondContact O-N 2.94Å; D111-Q115 WeakPolarHBondContact O-CB 3.47Å; D111-Q115 PolarHBondContact O-N 3.09Å
112	L	91.3	Very high	92.1	Very high	69 Å²	69	53.4 Å²	53.4	36%	0.361	26%	0.255	S	S	.	.	H	α-helix	trans	-60.9	-38.6	170.2	-76.1	164.2	0	0	0	111.8	E108 Q115 K116	E108-L112 WeakPolarHBondContact O-CB 3.39Å; E108-L112 WeakPolarHBondContact O-CD1 3.3Å; E108-L112 WeakPolarHBondContact O-CG 3.42Å; E108-L112 PolarHBondContact O-N 3.09Å; L112-Q115 PolarHBondContact O-N 3.25Å; L112-K116 WeakPolarHBondContact O-CB 3.41Å; L112-K116 WeakPolarHBondContact O-CG 3.48Å; L112-K116 PolarHBondContact O-N 3.26Å
113	G	92.3	Very high	92.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.5	-50.9	174.9	0	0	0	0	0	112.6	V109 R110 D111 Q115 K116 H117 A118 F119	V109-G113 PolarHBondContact O-N 2.92Å; R110-G113 WeakPolarHBondContact O-CA 3.42Å; R110-G113 PolarHBondContact O-N 2.7Å; R110-G113 VanDerWaalsContact O-N 3.08Å; D111-G113 VanDerWaalsContact C-N 3.29Å; D111-G113 PolarHBondContact O-N 3.18Å; G113-Q115 VanDerWaalsContact C-N 3.35Å; G113-Q115 PolarHBondContact O-N 3.49Å; G113-K116 PolarHBondContact O-N 2.73Å; G113-H117 WeakPolarHBondContact O-CA 3.4Å; G113-H117 WeakPolarHBondContact O-CB 3.37Å; G113-H117 PolarHBondContact O-N 3.28Å; G113-A118 PolarHBondContact O-N 3.22Å; G113-F119 CarbonylContact C-O 3.53Å; G113-F119 VanDerWaalsContact C-O 3.25Å
114	Y	90.2	Very high	92.5	Very high	41 Å²	41	45.9 Å²	45.9	16%	0.161	22%	0.22	C	C	.	.	H	α-helix	trans	-67.2	-34.8	176.3	-82.6	-79.4	0	0	0	112.8	R110 D111 A118 F119 N120 D280 R383	R110-Y114 HydrophobicContact CG-CD2 3.96Å; R110-Y114 HydrophobicContact CG-CE2 3.92Å; R110-Y114 WeakPolarHBondContact O-CD2 2.95Å; R110-Y114 PolarHBondContact O-N 2.85Å; D111-Y114 PolarHBondContact O-N 2.94Å; Y114-A118 WeakPolarHBondContact O-CA 3.37Å; Y114-A118 PolarHBondContact O-N 2.92Å; Y114-F119 PolarHBondContact N-O 3.15Å; Y114-N120 HydrophobicContact CE2-CB 3.86Å; Y114-D280 WeakPolarHBondContact CE1-OD1 3.47Å; Y114-D280 VanDerWaalsContact OH-CA 3.27Å; Y114-D280 WeakPolarHBondContact OH-CA 3.49Å; Y114-D280 WeakPolarHBondContact OH-CB 3.47Å; Y114-D280 PolarHBondContact OH-OD1 3.47Å; Y114-R383 PolarHBondContact O-NH2 3.12Å
115	Q	90	Very high	92.7	Very high	135 Å²	135	42.7 Å²	42.7	63%	0.631	21%	0.207	S	C	*	.	H	α-helix	trans	-67.4	-44.4	177.1	-171	-173.5	17.6	0	0	112.1	D111 L112 G113 R383	D111-Q115 WeakPolarHBondContact O-CB 3.47Å; D111-Q115 PolarHBondContact O-N 3.09Å; L112-Q115 PolarHBondContact O-N 3.25Å; G113-Q115 VanDerWaalsContact C-N 3.35Å; G113-Q115 PolarHBondContact O-N 3.49Å; Q115-R383 VanDerWaalsContact C-NH2 3.32Å; Q115-R383 PolarHBondContact O-NH2 3.13Å
116	K	91.5	Very high	92.7	Very high	96 Å²	96	40 Å²	40	42%	0.417	19%	0.191	S	C	.	.	H	α-helix	trans	-87.8	-40.4	-175.3	-68.9	-178.5	178.2	179.1	0	113.2	L112 G113 P385 Y386	L112-K116 WeakPolarHBondContact O-CB 3.41Å; L112-K116 WeakPolarHBondContact O-CG 3.48Å; L112-K116 PolarHBondContact O-N 3.26Å; G113-K116 PolarHBondContact O-N 2.73Å; K116-P385 VanDerWaalsContact O-CB 3.32Å; K116-P385 WeakPolarHBondContact O-CB 3.36Å; K116-Y386 PolarHBondContact O-OH 3.09Å
117	H	93.6	Very high	92.7	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.032	19%	0.187	C	C	.	.	H	α-helix	trans	-119.1	-10.3	-167.3	-51.5	-69.2	0	0	0	113.8	G113 F119 N161 A163 R381 Y386	G113-H117 WeakPolarHBondContact O-CA 3.4Å; G113-H117 WeakPolarHBondContact O-CB 3.37Å; G113-H117 PolarHBondContact O-N 3.28Å; H117-F119 VanDerWaalsContact C-N 3.28Å; H117-F119 HydrophobicContact CB-CD1 3.75Å; H117-F119 HydrophobicContact CB-CE1 3.51Å; H117-F119 HydrophobicContact CB-CZ 4.2Å; H117-F119 WeakPolarHBondContact O-CD1 3.28Å; H117-F119 PolarHBondContact O-N 3.39Å; H117-N161 PolarHBondContact CE1-O 3.25Å; H117-N161 PolarHBondContact ND1-O 2.77Å; H117-A163 PolarHBondContact CE1-N 2.9Å; H117-A163 PolarHBondContact ND1-N 3.31Å; H117-R381 WeakPolarHBondContact O-CD 3.38Å; H117-R381 PolarHBondContact O-NH1 2.89Å; H117-Y386 PolarHBondContact ND1-OH 3.21Å; H117-Y386 VanDerWaalsContact ND1-OH 3.16Å
118	A	93	Very high	92.8	Very high	6 Å²	6	38.1 Å²	38.1	5%	0.05	19%	0.188	C	C	.	.	S	Bend	trans	61.9	29.7	-179.8	0	0	0	0	0	114.8	G113 Y114 R381 R383	G113-A118 PolarHBondContact O-N 3.22Å; Y114-A118 WeakPolarHBondContact O-CA 3.37Å; Y114-A118 PolarHBondContact O-N 2.92Å; A118-R381 HydrophobicContact CB-CB 4.22Å; A118-R383 HydrophobicContact CB-CG 3.64Å
119	F	93.3	Very high	92.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-151.3	169.6	169.2	71.3	-97.2	0	0	0	110.4	G113 Y114 H117 M121 A163 A166 A279 L282 I379	G113-F119 CarbonylContact C-O 3.53Å; G113-F119 VanDerWaalsContact C-O 3.25Å; Y114-F119 PolarHBondContact N-O 3.15Å; H117-F119 VanDerWaalsContact C-N 3.28Å; H117-F119 HydrophobicContact CB-CD1 3.75Å; H117-F119 HydrophobicContact CB-CE1 3.51Å; H117-F119 HydrophobicContact CB-CZ 4.2Å; H117-F119 WeakPolarHBondContact O-CD1 3.28Å; H117-F119 PolarHBondContact O-N 3.39Å; F119-M121 PolarHBondContact O-N 3.45Å; F119-A163 HydrophobicContact CE1-CB 4.26Å; F119-A163 HydrophobicContact CZ-CB 3.63Å; F119-A166 HydrophobicContact CZ-CB 3.84Å; F119-A279 CarbonylContact C-O 3.52Å; F119-A279 WeakPolarHBondContact CA-O 3.38Å; F119-A279 HydrophobicContact CB-CB 3.77Å; F119-A279 WeakPolarHBondContact CB-O 3.5Å; F119-L282 HydrophobicContact CD2-CD1 4.5Å; F119-I379 HydrophobicContact CB-CG2 4.06Å; F119-I379 HydrophobicContact CD1-CG2 4.41Å; F119-I379 HydrophobicContact CG-CG2 4.22Å
120	N	92.9	Very high	93	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.185	C	C	.	.			trans	-74.1	91.7	-176.8	-167.4	-22.3	0	0	0	112.4	Y114 L122 I123 S124 A279 D280 L282	Y114-N120 HydrophobicContact CE2-CB 3.86Å; N120-L122 VanDerWaalsContact C-N 3.28Å; N120-L122 PolarHBondContact O-N 3.18Å; N120-L122 WeakPolarHBondContact OD1-CB 3.41Å; N120-L122 PolarHBondContact OD1-N 3.43Å; N120-I123 HydrophobicContact CB-CD1 4.34Å; N120-I123 WeakPolarHBondContact ND2-CD1 3.47Å; N120-I123 PolarHBondContact OD1-N 2.88Å; N120-S124 PolarHBondContact O-N 3.14Å; N120-A279 PolarHBondContact N-O 2.81Å; N120-D280 WeakPolarHBondContact CB-O 3.48Å; N120-D280 PolarHBondContact ND2-O 2.81Å; N120-L282 HydrophobicContact CB-CD2 3.94Å
121	M	93.9	Very high	93	Very high	33 Å²	33	39.5 Å²	39.5	16%	0.163	19%	0.188	C	C	.	.	H	α-helix	trans	-67.7	-27	179.6	-170.1	176.3	73	0	0	112.8	V109 F119 S124 N125	V109-M121 HydrophobicContact CG1-CE 3.9Å; V109-M121 WeakPolarHBondContact O-CE 3.29Å; F119-M121 PolarHBondContact O-N 3.45Å; M121-S124 PolarHBondContact O-N 2.91Å; M121-N125 WeakPolarHBondContact O-CB 3.41Å; M121-N125 VanDerWaalsContact O-CG 3.23Å; M121-N125 PolarHBondContact O-N 2.59Å; M121-N125 PolarHBondContact O-OD1 3.11Å
122	L	94.4	Very high	93.1	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-60.5	-51.6	177.8	178.7	64	0	0	0	110.9	I101 D106 V109 R110 N120 S124 N125 R126	I101-L122 HydrophobicContact CG1-CD2 4.16Å; D106-L122 HydrophobicContact CB-CD1 4.2Å; D106-L122 HydrophobicContact CB-CD2 3.94Å; V109-L122 HydrophobicContact CB-CD1 4.31Å; V109-L122 HydrophobicContact CG1-CB 4.09Å; V109-L122 HydrophobicContact CG1-CD1 4.01Å; R110-L122 HydrophobicContact CB-CB 4.13Å; R110-L122 HydrophobicContact CB-CD2 4.44Å; N120-L122 VanDerWaalsContact C-N 3.28Å; N120-L122 PolarHBondContact O-N 3.18Å; N120-L122 WeakPolarHBondContact OD1-CB 3.41Å; N120-L122 PolarHBondContact OD1-N 3.43Å; L122-S124 VanDerWaalsContact C-N 3.31Å; L122-S124 PolarHBondContact O-N 3.2Å; L122-N125 PolarHBondContact O-N 2.84Å; L122-R126 WeakPolarHBondContact O-CG 3.44Å; L122-R126 PolarHBondContact O-N 3.14Å; L122-R126 VanDerWaalsContact O-N 3.09Å
123	I	93.9	Very high	93.3	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-62	-43.8	175.9	-63.2	177.8	0	0	0	110.1	N120 N125 R126 L127 D280 L282	N120-I123 HydrophobicContact CB-CD1 4.34Å; N120-I123 WeakPolarHBondContact ND2-CD1 3.47Å; N120-I123 PolarHBondContact OD1-N 2.88Å; I123-N125 VanDerWaalsContact C-N 3.3Å; I123-N125 PolarHBondContact O-N 3.35Å; I123-R126 PolarHBondContact O-N 2.76Å; I123-L127 HydrophobicContact CG2-CD1 3.76Å; I123-L127 HydrophobicContact CG2-CG 4.14Å; I123-L127 WeakPolarHBondContact O-CB 3.05Å; I123-L127 WeakPolarHBondContact O-CG 3.45Å; I123-L127 PolarHBondContact O-N 2.94Å; I123-D280 VanDerWaalsContact CD1-O 3.27Å; I123-D280 WeakPolarHBondContact CD1-O 3.33Å; I123-L282 HydrophobicContact CB-CD2 3.95Å; I123-L282 HydrophobicContact CB-CG 4.34Å; I123-L282 HydrophobicContact CD1-CD2 4.49Å; I123-L282 HydrophobicContact CG2-CB 3.84Å; I123-L282 HydrophobicContact CG2-CD2 4.02Å; I123-L282 HydrophobicContact CG2-CG 3.96Å
124	S	95.6	Very high	93.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.2	-40.2	178.2	-169.6	0	0	0	0	112.3	N120 M121 L122 S165 R169	N120-S124 PolarHBondContact O-N 3.14Å; M121-S124 PolarHBondContact O-N 2.91Å; L122-S124 VanDerWaalsContact C-N 3.31Å; L122-S124 PolarHBondContact O-N 3.2Å; S124-S165 WeakPolarHBondContact CB-OG 3.43Å; S124-S165 PolarHBondContact OG-OG 3.27Å; S124-R169 PolarHBondContact O-NH2 2.87Å; S124-R169 PolarHBondContact OG-NH1 2.78Å; S124-R169 PolarHBondContact OG-NH2 2.76Å; S124-R169 VanDerWaalsContact OG-NH2 3.12Å
125	N	95.1	Very high	93.6	Very high	78 Å²	78	44.8 Å²	44.8	42%	0.417	22%	0.219	S	C	.	.	H	α-helix	trans	-69.8	-40.6	178.9	-68.4	-7.3	0	0	0	111.5	M121 L122 I123 L127 G128 S165	M121-N125 WeakPolarHBondContact O-CB 3.41Å; M121-N125 VanDerWaalsContact O-CG 3.23Å; M121-N125 PolarHBondContact O-N 2.59Å; M121-N125 PolarHBondContact O-OD1 3.11Å; L122-N125 PolarHBondContact O-N 2.84Å; I123-N125 VanDerWaalsContact C-N 3.3Å; I123-N125 PolarHBondContact O-N 3.35Å; N125-L127 PolarHBondContact O-N 3.42Å; N125-G128 PolarHBondContact O-N 3.19Å; N125-S165 VanDerWaalsContact OD1-CB 3.28Å; N125-S165 WeakPolarHBondContact OD1-CB 3.39Å; N125-S165 PolarHBondContact OD1-OG 2.85Å
126	R	94.3	Very high	93.8	Very high	80 Å²	80	39.4 Å²	39.4	30%	0.302	20%	0.195	S	C	.	.	H	α-helix	trans	-67.2	-33	179.4	-70.8	172.7	177.2	-174.6	-2.8	113.7	M98 M100 D106 L122 I123 G128	M98-R126 WeakPolarHBondContact O-CD 3.42Å; M98-R126 PolarHBondContact O-NH1 2.86Å; M100-R126 PolarHBondContact O-NH1 3.01Å; M100-R126 PolarHBondContact O-NH2 3.14Å; D106-R126 IonicContact OD1-CZ 3.16Å; D106-R126 IonicContact OD1-NH2 3.42Å; D106-R126 PolarHBondContact OD1-NH2 3.46Å; D106-R126 IonicContact OD2-NH2 2.7Å; D106-R126 PolarHBondContact OD2-NH2 2.85Å; L122-R126 WeakPolarHBondContact O-CG 3.44Å; L122-R126 PolarHBondContact O-N 3.14Å; L122-R126 VanDerWaalsContact O-N 3.09Å; I123-R126 PolarHBondContact O-N 2.76Å; R126-G128 PolarHBondContact O-N 3.44Å
127	L	92.6	Very high	93.9	Very high	6 Å²	6	36 Å²	36	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-23.3	175.8	-81.9	169.4	0	0	0	113.7	F94 M98 I123 N125 L282	F94-L127 HydrophobicContact CD2-CD2 4.11Å; F94-L127 HydrophobicContact CE2-CD1 4.3Å; F94-L127 HydrophobicContact CE2-CD2 3.58Å; F94-L127 HydrophobicContact CZ-CD1 4.37Å; F94-L127 HydrophobicContact CZ-CD2 4.24Å; M98-L127 HydrophobicContact CE-CD2 3.23Å; M98-L127 HydrophobicContact CE-CG 3.85Å; M98-L127 HydrophobicContact SD-CD2 4.03Å; M98-L127 HydrophobicContact SD-CG 4.3Å; I123-L127 HydrophobicContact CG2-CD1 3.76Å; I123-L127 HydrophobicContact CG2-CG 4.14Å; I123-L127 WeakPolarHBondContact O-CB 3.05Å; I123-L127 WeakPolarHBondContact O-CG 3.45Å; I123-L127 PolarHBondContact O-N 2.94Å; N125-L127 PolarHBondContact O-N 3.42Å; L127-L282 HydrophobicContact CD1-CB 3.76Å; L127-L282 HydrophobicContact CD1-CG 4.24Å
128	G	93.1	Very high	93.8	Very high	22 Å²	22	38.8 Å²	38.8	23%	0.227	20%	0.195	C	C	.	.			trans	66.1	-162.5	-170.7	0	0	0	0	0	112.8	N125 R126 R169	N125-G128 PolarHBondContact O-N 3.19Å; R126-G128 PolarHBondContact O-N 3.44Å; G128-R169 PolarHBondContact O-NE 2.86Å; G128-R169 PolarHBondContact O-NH2 2.76Å
129	Y	95.2	Very high	93.7	Very high	71 Å²	71	41.4 Å²	41.4	28%	0.278	22%	0.217	S	C	.	.	S	Bend	trans	-98.9	-18.2	-175.6	-45.3	-35.3	0	0	0	113.5	L168 Y205	Y129-L168 HydrophobicContact CD1-CB 3.75Å; Y129-L168 HydrophobicContact CD2-CB 4.1Å; Y129-L168 HydrophobicContact CD2-CD1 4.18Å; Y129-L168 HydrophobicContact CE1-CB 3.98Å; Y129-L168 HydrophobicContact CE1-CD1 4.03Å; Y129-L168 HydrophobicContact CE2-CB 4.27Å; Y129-L168 HydrophobicContact CE2-CD1 3.58Å; Y129-L168 HydrophobicContact CG-CB 3.84Å; Y129-L168 VanDerWaalsContact CZ-CD1 3.5Å; Y129-Y205 WeakPolarHBondContact CD2-OH 3.39Å; Y129-Y205 AromaticContact CE2-CE2 3.96Å; Y129-Y205 HydrophobicContact CE2-CE2 3.96Å; Y129-Y205 AromaticContact CE2-CZ 3.87Å
130	H	94.9	Very high	93.6	Very high	97 Å²	97	46.9 Å²	46.9	45%	0.449	24%	0.241	S	C	.	.			trans	-113.3	122.1	178.8	-58.2	-79.5	0	0	0	109	H172 D176	H130-H172 AromaticContact CE1-CE1 3.7Å; H130-H172 AromaticContact CE1-CG 3.42Å; H130-H172 VanDerWaalsContact CE1-CG 3.42Å; H130-H172 AromaticContact CE1-ND1 3.13Å; H130-H172 PolarHBondContact CE1-ND1 3.48Å; H130-H172 AromaticContact NE2-CE1 3.72Å; H130-H172 AromaticContact NE2-CG 3.82Å; H130-H172 AromaticContact NE2-ND1 3.61Å; H130-D176 IonicContact CE1-OD1 2.7Å; H130-D176 IonicContact CE1-OD2 2.88Å; H130-D176 IonicContact CG-OD2 2.82Å; H130-D176 IonicContact ND1-OD1 3.56Å; H130-D176 IonicContact ND1-OD2 3.37Å; H130-D176 PolarHBondContact ND1-OD2 2.82Å
131	R	92.8	Very high	93.7	Very high	23 Å²	23	46.9 Å²	46.9	9%	0.087	24%	0.241	C	C	.	.			trans	-150.4	149.6	169.5	72.1	180	-173.3	161.1	8.5	110.4	E249 L282	R131-E249 IonicContact CZ-OE1 2.98Å; R131-E249 IonicContact CZ-OE2 3.44Å; R131-E249 VanDerWaalsContact NE-CD 3.32Å; R131-E249 IonicContact NE-OE1 2.7Å; R131-E249 PolarHBondContact NE-OE1 3.4Å; R131-E249 VanDerWaalsContact NE-OE1 3.16Å; R131-E249 IonicContact NE-OE2 3.19Å; R131-E249 PolarHBondContact NE-OE2 3.1Å; R131-E249 VanDerWaalsContact NH2-CD 3.3Å; R131-E249 IonicContact NH2-OE1 3.97Å; R131-E249 PolarHBondContact NH2-OE1 3.36Å; R131-E249 IonicContact NH2-OE2 2.94Å; R131-E249 PolarHBondContact NH2-OE2 3.13Å; R131-L282 PolarHBondContact NH1-O 2.95Å; R131-L282 PolarHBondContact NH2-O 2.81Å
132	E	92	Very high	93.5	Very high	152 Å²	152	52.3 Å²	52.3	71%	0.71	26%	0.26	S	S	*	.			trans	-71.8	145.9	168	-63.3	-56.3	140.3	0	0	110
133	V	94.3	Very high	93.3	Very high	14 Å²	14	59.8 Å²	59.8	9%	0.085	29%	0.294	C	S	.	.			trans	-124.5	145.7	174.6	-64.2	0	0	0	0	108.7	D135 E249 Y284	V133-D135 PolarHBondContact O-N 3.34Å; V133-E249 HydrophobicContact CG1-CB 4.48Å; V133-Y284 HydrophobicContact CB-CD2 4.07Å; V133-Y284 HydrophobicContact CB-CE2 4.35Å; V133-Y284 HydrophobicContact CB-CG 4.33Å; V133-Y284 HydrophobicContact CG1-CD2 3.93Å; V133-Y284 HydrophobicContact CG1-CE2 4.41Å; V133-Y284 HydrophobicContact CG1-CG 4.47Å
134	P	94.2	Very high	93.2	Very high	69 Å²	69	62.3 Å²	62.3	45%	0.448	31%	0.305	S	S	.	.			trans	-63.7	138.8	177.9	27	-34.2	0	0	0	110.5	T136 N251 Y284	P134-T136 HydrophobicContact CG-CG2 4.26Å; P134-T136 PolarHBondContact O-N 2.98Å; P134-N251 PolarHBondContact O-ND2 3.03Å; P134-Y284 HydrophobicContact CG-CD1 3.94Å; P134-Y284 HydrophobicContact CG-CG 4.41Å
135	D	94.7	Very high	93.1	Very high	42 Å²	42	67.7 Å²	67.7	23%	0.225	34%	0.343	C	S	.	.			trans	-73.1	98.4	169.5	-179	5.4	0	0	0	109.8	V133 R137 R142 N251	V133-D135 PolarHBondContact O-N 3.34Å; D135-R137 VanDerWaalsContact C-N 3.33Å; D135-R137 VanDerWaalsContact OD1-CB 3.3Å; D135-R137 WeakPolarHBondContact OD1-CB 3.43Å; D135-R137 WeakPolarHBondContact OD1-CG 3.21Å; D135-R137 IonicContact OD1-CZ 3.09Å; D135-R137 PolarHBondContact OD1-N 3.16Å; D135-R137 VanDerWaalsContact OD1-N 3.1Å; D135-R137 IonicContact OD1-NE 2.7Å; D135-R137 PolarHBondContact OD1-NE 2.93Å; D135-R137 IonicContact OD1-NH2 3.15Å; D135-R137 IonicContact OD2-CZ 2.98Å; D135-R137 IonicContact OD2-NE 3.35Å; D135-R137 PolarHBondContact OD2-NE 3.45Å; D135-R137 IonicContact OD2-NH2 2.76Å; D135-R137 PolarHBondContact OD2-NH2 2.97Å; D135-R142 IonicContact OD2-CZ 2.67Å; D135-R142 IonicContact OD2-NE 3.02Å; D135-R142 PolarHBondContact OD2-NE 3.04Å; D135-R142 IonicContact OD2-NH2 2.7Å; D135-R142 PolarHBondContact OD2-NH2 3.48Å; D135-R142 VanDerWaalsContact OD2-NH2 3.14Å; D135-N251 WeakPolarHBondContact CA-OD1 3.39Å
136	T	94.4	Very high	93.1	Very high	21 Å²	21	66.3 Å²	66.3	13%	0.129	33%	0.332	C	S	.	.			trans	-87.7	0.5	-176.9	50.9	0	0	0	0	113.5	P134 N251 D275 Y284 R375	P134-T136 HydrophobicContact CG-CG2 4.26Å; P134-T136 PolarHBondContact O-N 2.98Å; T136-N251 PolarHBondContact OG1-ND2 2.79Å; T136-N251 VanDerWaalsContact OG1-ND2 3.08Å; T136-D275 VanDerWaalsContact CB-OD2 3.27Å; T136-D275 WeakPolarHBondContact CB-OD2 3.41Å; T136-D275 PolarHBondContact OG1-OD2 2.83Å; T136-Y284 HydrophobicContact CG2-CD1 3.88Å; T136-Y284 HydrophobicContact CG2-CE1 3.58Å; T136-R375 PolarHBondContact O-NE 2.98Å; T136-R375 PolarHBondContact O-NH1 2.85Å; T136-R375 VanDerWaalsContact O-NH1 3.13Å; T136-R375 PolarHBondContact O-NH2 2.88Å; T136-R375 WeakPolarHBondContact OG1-CD 3.38Å
137	R	93.6	Very high	93.1	Very high	24 Å²	24	64.8 Å²	64.8	9%	0.091	33%	0.333	C	S	.	.	S	Bend	trans	-67.5	156.8	-179.9	-59.6	172.1	-62.3	160.6	3	110.5	D135 C141 E252 C373 R375	D135-R137 VanDerWaalsContact C-N 3.33Å; D135-R137 VanDerWaalsContact OD1-CB 3.3Å; D135-R137 WeakPolarHBondContact OD1-CB 3.43Å; D135-R137 WeakPolarHBondContact OD1-CG 3.21Å; D135-R137 IonicContact OD1-CZ 3.09Å; D135-R137 PolarHBondContact OD1-N 3.16Å; D135-R137 VanDerWaalsContact OD1-N 3.1Å; D135-R137 IonicContact OD1-NE 2.7Å; D135-R137 PolarHBondContact OD1-NE 2.93Å; D135-R137 IonicContact OD1-NH2 3.15Å; D135-R137 IonicContact OD2-CZ 2.98Å; D135-R137 IonicContact OD2-NE 3.35Å; D135-R137 PolarHBondContact OD2-NE 3.45Å; D135-R137 IonicContact OD2-NH2 2.76Å; D135-R137 PolarHBondContact OD2-NH2 2.97Å; R137-C141 HydrophobicContact CB-CB 4.01Å; R137-E252 WeakPolarHBondContact CD-O 3.5Å; R137-E252 VanDerWaalsContact CZ-O 3.28Å; R137-E252 PolarHBondContact NE-O 2.03Å; R137-E252 PolarHBondContact NH1-O 3.41Å; R137-E252 VanDerWaalsContact NH1-O 3.16Å; R137-C373 WeakPolarHBondContact CD-O 3.17Å; R137-R375 HydrophobicContact CG-CG 4.08Å
138	D	91	Very high	93.1	Very high	66 Å²	66	69.5 Å²	69.5	35%	0.353	37%	0.366	S	S	.	.			trans	-59.8	142.4	168.8	-169.8	-74.2	0	0	0	109.5	K140 C141 T317	D138-K140 PolarHBondContact O-N 3.38Å; D138-K140 VanDerWaalsContact O-N 3.13Å; D138-K140 WeakPolarHBondContact OD1-CB 3.15Å; D138-K140 PolarHBondContact OD1-N 3.39Å; D138-C141 WeakPolarHBondContact O-CB 3.38Å; D138-C141 PolarHBondContact O-N 3.46Å; D138-T317 HydrophobicContact CB-CG2 3.88Å
139	A	91.5	Very high	93.2	Very high	62 Å²	62	72.8 Å²	72.8	51%	0.512	38%	0.378	S	S	.	.	H	α-helix	trans	-54.7	-35.7	-179	0	0	0	0	0	112.2	C141 R142	A139-C141 PolarHBondContact O-N 3.24Å; A139-R142 WeakPolarHBondContact O-CB 3.46Å; A139-R142 PolarHBondContact O-N 2.84Å; A139-R142 VanDerWaalsContact O-N 3.09Å
140	K	91.4	Very high	93.3	Very high	115 Å²	115	70.1 Å²	70.1	50%	0.5	37%	0.369	S	S	.	.	H	α-helix	trans	-63.9	-25.5	176.8	-67.2	-178.2	177	-173.7	0	113.3	D138 R142 E143 T317	D138-K140 PolarHBondContact O-N 3.38Å; D138-K140 VanDerWaalsContact O-N 3.13Å; D138-K140 WeakPolarHBondContact OD1-CB 3.15Å; D138-K140 PolarHBondContact OD1-N 3.39Å; K140-R142 PolarHBondContact O-N 3.13Å; K140-E143 PolarHBondContact O-N 3.23Å; K140-T317 HydrophobicContact CB-CG2 3.82Å
141	C	94.1	Very high	93.4	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-65.9	-26.2	175.6	-67.9	0	0	0	0	112.6	R137 D138 A139 E143 K144 C373	R137-C141 HydrophobicContact CB-CB 4.01Å; D138-C141 WeakPolarHBondContact O-CB 3.38Å; D138-C141 PolarHBondContact O-N 3.46Å; A139-C141 PolarHBondContact O-N 3.24Å; C141-E143 VanDerWaalsContact C-N 3.26Å; C141-E143 PolarHBondContact O-N 2.58Å; C141-K144 PolarHBondContact O-N 2.98Å; C141-C373 VanDerWaalsContact CA-SG 3.57Å; C141-C373 HydrophobicContact CB-CB 3.62Å; C141-C373 WeakPolarHBondContact CB-SG 3.35Å; C141-C373 WeakPolarHBondContact SG-CA 3.2Å; C141-C373 WeakPolarHBondContact SG-CB 3.16Å; C141-C373 CovalentContact SG-SG 2.04Å; C141-C373 PolarHBondContact SG-SG 3.22Å
142	R	91.4	Very high	93.6	Very high	147 Å²	147	69.3 Å²	69.3	56%	0.555	37%	0.366	S	S	*	.	H	α-helix	trans	-71.8	-24.4	177.4	-59.7	-178.7	177.9	165.5	5.1	112.4	D135 A139 K140	D135-R142 IonicContact OD2-CZ 2.67Å; D135-R142 IonicContact OD2-NE 3.02Å; D135-R142 PolarHBondContact OD2-NE 3.04Å; D135-R142 IonicContact OD2-NH2 2.7Å; D135-R142 PolarHBondContact OD2-NH2 3.48Å; D135-R142 VanDerWaalsContact OD2-NH2 3.14Å; A139-R142 WeakPolarHBondContact O-CB 3.46Å; A139-R142 PolarHBondContact O-N 2.84Å; A139-R142 VanDerWaalsContact O-N 3.09Å; K140-R142 PolarHBondContact O-N 3.13Å
143	E	90.5	Very high	94	Very high	162 Å²	162	62.1 Å²	62.1	76%	0.757	33%	0.333	S	S	*	.	H	α-helix	trans	-87.5	-11.4	179.7	-61.1	171.1	-171.1	0	0	112.1	K140 C141	K140-E143 PolarHBondContact O-N 3.23Å; C141-E143 VanDerWaalsContact C-N 3.26Å; C141-E143 PolarHBondContact O-N 2.58Å
144	K	91.8	Very high	94.2	Very high	57 Å²	57	61.4 Å²	61.4	25%	0.248	33%	0.329	C	S	.	.			trans	-74.3	129.4	178.8	-72.3	-166	170.4	-168	0	111.2	C141 Y146 E314 T317	C141-K144 PolarHBondContact O-N 2.98Å; K144-Y146 HydrophobicContact CB-CE2 4.18Å; K144-E314 IonicContact NZ-OE2 3.59Å; K144-E314 PolarHBondContact NZ-OE2 3.02Å; K144-T317 VanDerWaalsContact CE-OG1 3.3Å; K144-T317 WeakPolarHBondContact CE-OG1 3.37Å; K144-T317 PolarHBondContact NZ-O 2.89Å; K144-T317 PolarHBondContact NZ-OG1 3.39Å
145	S	92.9	Very high	94.4	Very high	114 Å²	114	58.1 Å²	58.1	80%	0.797	31%	0.307	S	S	*	.			trans	-97.3	142.7	168.5	60	0	0	0	0	111
146	Y	94.5	Very high	94.6	Very high	49 Å²	49	56.2 Å²	56.2	19%	0.192	30%	0.297	C	S	.	.			trans	-114.1	153.2	178.2	-58.6	-81.5	0	0	0	110.9	K144 M253 Q256 P257 T260	K144-Y146 HydrophobicContact CB-CE2 4.18Å; Y146-M253 HydrophobicContact CD2-SD 3.73Å; Y146-M253 HydrophobicContact CE2-CG 4.31Å; Y146-M253 HydrophobicContact CE2-SD 3.42Å; Y146-M253 WeakPolarHBondContact CE2-SD 3.01Å; Y146-Q256 HydrophobicContact CD1-CB 4.43Å; Y146-Q256 HydrophobicContact CD2-CB 3.91Å; Y146-Q256 HydrophobicContact CG-CB 3.85Å; Y146-P257 HydrophobicContact CE1-CB 3.78Å; Y146-P257 HydrophobicContact CE1-CG 3.95Å; Y146-P257 HydrophobicContact CE2-CG 4.17Å; Y146-P257 WeakPolarHBondContact OH-CG 3.11Å; Y146-T260 WeakPolarHBondContact CD1-OG1 3.18Å
147	P	94.4	Very high	94.8	Very high	48 Å²	48	55.2 Å²	55.2	31%	0.312	29%	0.291	S	S	.	.			trans	-54.9	146.8	175.6	-25	34.5	0	0	0	112.2	L150 T260	P147-L150 HydrophobicContact CB-CD2 4.47Å; P147-L150 WeakPolarHBondContact O-CD1 3.21Å; P147-L150 VanDerWaalsContact O-CG 3.31Å; P147-L150 WeakPolarHBondContact O-CG 3.47Å; P147-T260 HydrophobicContact CG-CG2 4.38Å
148	S	91.9	Very high	95	Very high	105 Å²	105	54.6 Å²	54.6	73%	0.734	29%	0.29	S	S	*	.	S	Bend	trans	-77.3	-26.3	178.6	53.8	0	0	0	0	113.1	L150	S148-L150 VanDerWaalsContact C-N 3.33Å; S148-L150 PolarHBondContact O-N 3.14Å
149	D	94.9	Very high	95.4	Very high	90 Å²	90	51.7 Å²	51.7	48%	0.481	27%	0.274	S	S	.	.	S	Bend	trans	-96.5	43.1	-174.2	61.2	-24.7	0	0	0	112.4	R263	D149-R263 PolarHBondContact O-NH1 2.9Å; D149-R263 IonicContact OD1-CZ 3.6Å; D149-R263 IonicContact OD1-NE 3.74Å; D149-R263 IonicContact OD1-NH1 3.64Å; D149-R263 PolarHBondContact OD1-NH1 2.81Å; D149-R263 VanDerWaalsContact OD1-NH1 3.09Å; D149-R263 IonicContact OD1-NH2 3.72Å; D149-R263 PolarHBondContact OD1-NH2 3.46Å; D149-R263 IonicContact OD2-CZ 2.79Å; D149-R263 IonicContact OD2-NH1 2.95Å; D149-R263 PolarHBondContact OD2-NH1 2.92Å; D149-R263 IonicContact OD2-NH2 3.88Å; D149-R263 PolarHBondContact OD2-NH2 3.13Å
150	L	97.8	Very high	95.6	Very high	16 Å²	16	50.5 Å²	50.5	8%	0.084	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-68.5	148.7	175.8	-69.2	169.1	0	0	0	112	P147 S148 L182 Q256 L259	P147-L150 HydrophobicContact CB-CD2 4.47Å; P147-L150 WeakPolarHBondContact O-CD1 3.21Å; P147-L150 VanDerWaalsContact O-CG 3.31Å; P147-L150 WeakPolarHBondContact O-CG 3.47Å; S148-L150 VanDerWaalsContact C-N 3.33Å; S148-L150 PolarHBondContact O-N 3.14Å; L150-L182 HydrophobicContact CB-CD2 3.7Å; L150-Q256 HydrophobicContact CD1-CB 3.86Å; L150-Q256 HydrophobicContact CD1-CG 4.01Å; L150-L259 HydrophobicContact CB-CB 4.31Å; L150-L259 HydrophobicContact CB-CD1 4.21Å; L150-L259 HydrophobicContact CD1-CB 4.4Å; L150-L259 HydrophobicContact CD2-CB 3.95Å; L150-L259 HydrophobicContact CG-CB 4.45Å
151	P	97.8	Very high	95.9	Very high	14 Å²	14	45.4 Å²	45.4	9%	0.091	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-68.7	143.9	177.7	29.8	-36.4	0	0	0	111.8	K239 V240 L259	P151-K239 HydrophobicContact CB-CB 4.15Å; P151-K239 HydrophobicContact CB-CD 3.88Å; P151-K239 HydrophobicContact CB-CG 4.14Å; P151-V240 HydrophobicContact CB-CG2 4.02Å; P151-V240 HydrophobicContact CG-CG2 3.72Å; P151-L259 HydrophobicContact CG-CB 4.35Å; P151-L259 HydrophobicContact CG-CD2 4.34Å; P151-L259 VanDerWaalsContact O-CD1 3.28Å; P151-L259 WeakPolarHBondContact O-CD1 3.21Å
152	F	97.6	Very high	96	Very high	89 Å²	89	45.7 Å²	45.7	39%	0.39	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-73.3	145.9	173.7	55.3	-92.7	0	0	0	111.6	L182 H184 K239 V240	F152-L182 CarbonylContact C-O 3.53Å; F152-L182 WeakPolarHBondContact CA-O 3.38Å; F152-H184 HydrophobicContact CB-CB 4.17Å; F152-H184 HydrophobicContact CD2-CB 3.83Å; F152-H184 AromaticContact CD2-CG 3.69Å; F152-H184 AromaticContact CD2-ND1 3.73Å; F152-H184 HydrophobicContact CG-CB 4.44Å; F152-K239 HydrophobicContact CE2-CB 4.22Å; F152-K239 VanDerWaalsContact CE2-N 3.32Å; F152-K239 HydrophobicContact CZ-CB 4.24Å; F152-K239 PolarHBondContact O-N 3.41Å; F152-K239 VanDerWaalsContact O-N 3.09Å; F152-V240 PolarHBondContact O-N 3.44Å
153	A	98.6	Very high	96.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.8	-170	0	0	0	0	0	112.9	L182 H184 V240 V242 L255 L259	A153-L182 PolarHBondContact N-O 3.08Å; A153-H184 VanDerWaalsContact O-CB 3.3Å; A153-H184 WeakPolarHBondContact O-CB 3.29Å; A153-H184 PolarHBondContact O-N 3.05Å; A153-V240 CarbonylContact C-O 3.6Å; A153-V240 VanDerWaalsContact CA-O 3.3Å; A153-V240 WeakPolarHBondContact CA-O 3.34Å; A153-V240 HydrophobicContact CB-CB 4.25Å; A153-V242 HydrophobicContact CB-CG2 3.83Å; A153-L255 HydrophobicContact CB-CD1 4.46Å; A153-L255 HydrophobicContact CB-CD2 4.27Å; A153-L259 HydrophobicContact CB-CD2 4.22Å
154	S	98.9	Very high	96.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.1	166.2	-64.2	0	0	0	0	109.1	E185 G238 V240 V242	S154-E185 WeakPolarHBondContact CA-O 3.36Å; S154-E185 VanDerWaalsContact OG-CG 3.26Å; S154-E185 WeakPolarHBondContact OG-CG 3.33Å; S154-E185 PolarHBondContact OG-OE1 2.94Å; S154-G238 WeakPolarHBondContact OG-CA 3.27Å; S154-G238 PolarHBondContact OG-N 3.47Å; S154-V240 PolarHBondContact N-O 3.19Å; S154-V242 PolarHBondContact O-N 3.02Å
155	V	98.9	Very high	96.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.2	176.2	-179.3	0	0	0	0	109.1	I157 V174 L183 E185 I186 I187 V242 L244	V155-I157 HydrophobicContact CG1-CD1 4.35Å; V155-I157 HydrophobicContact CG1-CG1 4.13Å; V155-V174 HydrophobicContact CG1-CG1 4.44Å; V155-V174 HydrophobicContact CG1-CG2 4.39Å; V155-V174 HydrophobicContact CG2-CG1 4.07Å; V155-L183 HydrophobicContact CB-CD1 4.43Å; V155-L183 HydrophobicContact CG2-CD1 3.67Å; V155-E185 PolarHBondContact N-O 2.95Å; V155-I186 HydrophobicContact CB-CG1 4.39Å; V155-I186 CarbonylContact O-C 3.16Å; V155-I186 WeakPolarHBondContact O-CA 3.15Å; V155-I187 PolarHBondContact O-N 2.96Å; V155-V242 CarbonylContact C-O 3.59Å; V155-V242 WeakPolarHBondContact CA-O 3.4Å; V155-V242 HydrophobicContact CG2-CB 4.24Å; V155-L244 HydrophobicContact CG1-CD1 3.79Å; V155-L244 HydrophobicContact CG1-CG 4.22Å
156	I	98.9	Very high	97.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.7	-178.1	-61.5	161.5	0	0	0	108.7	I187 V189 A233 A236 L241 V242 F243 L244	I156-I187 WeakPolarHBondContact CA-O 3.42Å; I156-I187 HydrophobicContact CG1-CB 4.37Å; I156-V189 HydrophobicContact CG2-CG2 4.3Å; I156-A233 HydrophobicContact CD1-CB 4.19Å; I156-A236 HydrophobicContact CD1-CB 4.25Å; I156-L241 HydrophobicContact CD1-CB 4.45Å; I156-L241 HydrophobicContact CD1-CD2 4.01Å; I156-V242 PolarHBondContact N-O 2.81Å; I156-F243 HydrophobicContact CB-CD1 3.91Å; I156-F243 HydrophobicContact CB-CE1 4.12Å; I156-F243 HydrophobicContact CD1-CD1 4.19Å; I156-F243 HydrophobicContact CD1-CE1 3.59Å; I156-F243 HydrophobicContact CD1-CZ 3.97Å; I156-F243 HydrophobicContact CG1-CE1 4.48Å; I156-F243 HydrophobicContact CG2-CD1 4.02Å; I156-F243 HydrophobicContact CG2-CE1 4.09Å; I156-L244 PolarHBondContact O-N 2.96Å
157	I	98.9	Very high	97.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	106.9	-179.9	-56.3	170.9	0	0	0	108.3	V155 L167 T170 V171 I186 I187 L188 V189 L244	V155-I157 HydrophobicContact CG1-CD1 4.35Å; V155-I157 HydrophobicContact CG1-CG1 4.13Å; I157-L167 HydrophobicContact CG2-CD1 4.15Å; I157-T170 HydrophobicContact CD1-CG2 3.99Å; I157-V171 HydrophobicContact CD1-CG2 4.09Å; I157-I186 HydrophobicContact CD1-CG2 4.1Å; I157-I187 PolarHBondContact N-O 3.08Å; I157-L188 HydrophobicContact CB-CD2 3.89Å; I157-L188 HydrophobicContact CD1-CD2 3.97Å; I157-L188 HydrophobicContact CG1-CD2 4.38Å; I157-L188 HydrophobicContact CG2-CD2 4.44Å; I157-L188 WeakPolarHBondContact O-CA 3.45Å; I157-V189 PolarHBondContact O-N 2.52Å; I157-L244 HydrophobicContact CG1-CB 4.25Å
158	C	98	Very high	97.5	Very high	11 Å²	11	20.4 Å²	20.4	7%	0.074	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	139.1	174.5	-59	0	0	0	0	110.2	V189 L225 R229 S246	C158-V189 WeakPolarHBondContact CA-O 3.13Å; C158-V189 HydrophobicContact CB-CB 4.49Å; C158-L225 HydrophobicContact CB-CD1 4.21Å; C158-R229 VanDerWaalsContact SG-CG 3.59Å; C158-R229 PolarHBondContact SG-N 2.82Å; C158-S246 PolarHBondContact O-OG 3.31Å
159	F	97.9	Very high	97.8	Very high	6 Å²	6	15.6 Å²	15.6	3%	0.026	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	149.8	178.5	68.9	-82.8	0	0	0	112.2	E162 L167 L188 V189 D190 D191 L198 L202 L216 S246	F159-E162 HydrophobicContact CB-CB 4.06Å; F159-L167 HydrophobicContact CB-CD1 4.36Å; F159-L167 HydrophobicContact CD1-CD1 4.09Å; F159-L167 HydrophobicContact CD1-CD2 4.26Å; F159-L167 HydrophobicContact CD2-CD2 4.02Å; F159-L167 HydrophobicContact CE1-CD2 4.26Å; F159-L167 HydrophobicContact CE2-CD2 4.01Å; F159-L167 HydrophobicContact CG-CD1 4.2Å; F159-L167 HydrophobicContact CG-CD2 4.15Å; F159-L167 HydrophobicContact CZ-CD2 4.11Å; F159-L188 HydrophobicContact CE1-CB 4.03Å; F159-V189 WeakPolarHBondContact CD1-O 3.12Å; F159-V189 PolarHBondContact N-O 3.32Å; F159-D190 HydrophobicContact CE1-CB 3.98Å; F159-D190 HydrophobicContact CE2-CB 3.9Å; F159-D190 HydrophobicContact CZ-CB 3.47Å; F159-D190 VanDerWaalsContact CZ-CB 3.47Å; F159-D191 PolarHBondContact O-N 3.09Å; F159-L198 HydrophobicContact CD2-CD1 4.23Å; F159-L198 HydrophobicContact CE2-CB 4.44Å; F159-L198 HydrophobicContact CE2-CD1 4.19Å; F159-L198 HydrophobicContact CE2-CD2 4.17Å; F159-L202 HydrophobicContact CE1-CD2 4.45Å; F159-L202 HydrophobicContact CE2-CD2 3.92Å; F159-L202 HydrophobicContact CZ-CD2 3.51Å; F159-L216 HydrophobicContact CE1-CD1 4.13Å; F159-L216 HydrophobicContact CZ-CD1 4.05Å; F159-S246 WeakPolarHBondContact CB-OG 3.49Å
160	Y	96.9	Very high	98	Very high	36 Å²	36	11.4 Å²	11.4	14%	0.141	6%	0.056	C	C	.	.	S	Bend	trans	-141.8	119.1	171.3	174.1	-110	0	0	0	107.5	E162 D191 N192 S193 E194 R222 Y386	Y160-E162 PolarHBondContact O-N 3.43Å; Y160-D191 WeakPolarHBondContact CD2-O 3.45Å; Y160-N192 WeakPolarHBondContact CE2-O 3.43Å; Y160-S193 WeakPolarHBondContact CA-OG 3.47Å; Y160-E194 PolarHBondContact OH-OE1 3.4Å; Y160-E194 VanDerWaalsContact OH-OE1 3.08Å; Y160-R222 HydrophobicContact CE2-CG 4.38Å; Y160-Y386 HydrophobicContact CD1-CD1 4.47Å; Y160-Y386 AromaticContact CD1-CD2 3.62Å; Y160-Y386 HydrophobicContact CD1-CD2 3.62Å; Y160-Y386 HydrophobicContact CD1-CE2 4.34Å; Y160-Y386 AromaticContact CD1-CG 3.74Å; Y160-Y386 HydrophobicContact CD1-CG 3.74Å; Y160-Y386 HydrophobicContact CE1-CD1 4.12Å; Y160-Y386 HydrophobicContact CE1-CD2 4.07Å; Y160-Y386 AromaticContact CE1-CG 3.7Å; Y160-Y386 HydrophobicContact CE1-CG 3.7Å; Y160-Y386 WeakPolarHBondContact O-CE2 3.5Å
161	N	96.4	Very high	98	Very high	9 Å²	9	10.6 Å²	10.6	5%	0.048	5%	0.052	C	C	.	.	S	Bend	trans	53.6	26.3	-179.9	-71.9	-16.3	0	0	0	114.5	H117 S193 E194 L195 Y386	H117-N161 PolarHBondContact CE1-O 3.25Å; H117-N161 PolarHBondContact ND1-O 2.77Å; N161-S193 PolarHBondContact N-OG 3.14Å; N161-S193 WeakPolarHBondContact OD1-CA 3.47Å; N161-S193 WeakPolarHBondContact OD1-CB 3.33Å; N161-E194 PolarHBondContact OD1-N 3.26Å; N161-L195 HydrophobicContact CB-CD1 4.05Å; N161-L195 HydrophobicContact CB-CG 4.15Å; N161-L195 VanDerWaalsContact O-CD1 3.3Å; N161-L195 WeakPolarHBondContact O-CD1 3.36Å; N161-L195 PolarHBondContact OD1-N 3.41Å; N161-Y386 HydrophobicContact CB-CD1 4.26Å; N161-Y386 HydrophobicContact CB-CD2 4.33Å; N161-Y386 HydrophobicContact CB-CE1 3.58Å; N161-Y386 HydrophobicContact CB-CE2 3.65Å; N161-Y386 PolarHBondContact O-OH 3.32Å
162	E	97.5	Very high	98	Very high	5 Å²	5	10.6 Å²	10.6	2%	0.023	5%	0.051	C	C	.	.			trans	-65.8	147.4	-179.7	-170.6	57.7	-89.6	0	0	112.2	F159 Y160 L164 L167 L198 S246 H247 R381	F159-E162 HydrophobicContact CB-CB 4.06Å; Y160-E162 PolarHBondContact O-N 3.43Å; E162-L164 PolarHBondContact O-N 3.16Å; E162-L167 HydrophobicContact CB-CB 4.5Å; E162-L167 HydrophobicContact CG-CB 4.1Å; E162-L198 WeakPolarHBondContact O-CD1 3.22Å; E162-S246 PolarHBondContact OE2-OG 3.11Å; E162-H247 IonicContact OE2-CE1 3.96Å; E162-H247 PolarHBondContact OE2-CE1 3.17Å; E162-H247 IonicContact OE2-CG 3.93Å; E162-H247 IonicContact OE2-ND1 3.45Å; E162-H247 PolarHBondContact OE2-ND1 3.14Å; E162-R381 IonicContact OE1-CZ 3.22Å; E162-R381 IonicContact OE1-NH1 3.9Å; E162-R381 IonicContact OE1-NH2 2.68Å; E162-R381 PolarHBondContact OE1-NH2 3.19Å; E162-R381 IonicContact OE2-CZ 2.66Å; E162-R381 IonicContact OE2-NH2 3.09Å; E162-R381 PolarHBondContact OE2-NH2 3.02Å
163	A	96.9	Very high	98.1	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.008	3%	0.033	C	C	.	.			trans	-62.7	128.2	171.5	0	0	0	0	0	109.9	H117 F119 S165 A166 L167	H117-A163 PolarHBondContact CE1-N 2.9Å; H117-A163 PolarHBondContact ND1-N 3.31Å; F119-A163 HydrophobicContact CE1-CB 4.26Å; F119-A163 HydrophobicContact CZ-CB 3.63Å; A163-S165 PolarHBondContact O-N 2.65Å; A163-S165 VanDerWaalsContact O-N 3.11Å; A163-A166 HydrophobicContact CB-CB 4.44Å; A163-A166 PolarHBondContact O-N 2.82Å; A163-L167 PolarHBondContact O-N 3.07Å
164	L	96.9	Very high	98.1	Very high	36 Å²	36	6.5 Å²	6.5	19%	0.188	3%	0.033	C	C	.	.	H	α-helix	trans	-54.1	-38	-176.4	-175.7	65	0	0	0	112.5	E162 L167 L168 D197 L198 L202	E162-L164 PolarHBondContact O-N 3.16Å; L164-L167 PolarHBondContact O-N 3.37Å; L164-L168 HydrophobicContact CD1-CD1 3.82Å; L164-L168 HydrophobicContact CD1-CG 3.97Å; L164-L168 HydrophobicContact CD2-CD1 4.5Å; L164-L168 HydrophobicContact CG-CD1 3.9Å; L164-L168 HydrophobicContact CG-CG 4.34Å; L164-L168 WeakPolarHBondContact O-CB 3.43Å; L164-L168 WeakPolarHBondContact O-CG 3.49Å; L164-L168 PolarHBondContact O-N 3.17Å; L164-D197 HydrophobicContact CD2-CB 4.36Å; L164-L198 HydrophobicContact CD1-CD2 4.23Å; L164-L202 HydrophobicContact CD1-CB 4.48Å; L164-L202 HydrophobicContact CD1-CD1 4Å
165	S	97	Very high	98.1	Very high	6 Å²	6	8.3 Å²	8.3	4%	0.042	4%	0.042	C	C	.	.	H	α-helix	trans	-65.7	-39.3	178.6	56.3	0	0	0	0	113.8	S124 N125 A163 R169	S124-S165 WeakPolarHBondContact CB-OG 3.43Å; S124-S165 PolarHBondContact OG-OG 3.27Å; N125-S165 VanDerWaalsContact OD1-CB 3.28Å; N125-S165 WeakPolarHBondContact OD1-CB 3.39Å; N125-S165 PolarHBondContact OD1-OG 2.85Å; A163-S165 PolarHBondContact O-N 2.65Å; A163-S165 VanDerWaalsContact O-N 3.11Å; S165-R169 WeakPolarHBondContact O-CB 3.43Å; S165-R169 PolarHBondContact O-N 3.38Å
166	A	97.9	Very high	98	Very high	3 Å²	3	12.7 Å²	12.7	3%	0.025	7%	0.066	C	C	.	.	H	α-helix	trans	-72.9	-40.4	176.9	0	0	0	0	0	111.9	F119 A163 R169 T170 S246 H247 I379	F119-A166 HydrophobicContact CZ-CB 3.84Å; A163-A166 HydrophobicContact CB-CB 4.44Å; A163-A166 PolarHBondContact O-N 2.82Å; A166-R169 PolarHBondContact O-N 3.35Å; A166-T170 PolarHBondContact O-N 2.75Å; A166-T170 PolarHBondContact O-OG1 2.73Å; A166-S246 CarbonylContact C-O 3.57Å; A166-H247 HydrophobicContact CB-CB 4.24Å; A166-I379 HydrophobicContact CB-CD1 4.4Å
167	L	98.6	Very high	97.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60	-53.5	175.9	175.9	62.5	0	0	0	111.1	I157 F159 E162 A163 L164 R169 T170 V171 L198 L202 S246	I157-L167 HydrophobicContact CG2-CD1 4.15Å; F159-L167 HydrophobicContact CB-CD1 4.36Å; F159-L167 HydrophobicContact CD1-CD1 4.09Å; F159-L167 HydrophobicContact CD1-CD2 4.26Å; F159-L167 HydrophobicContact CD2-CD2 4.02Å; F159-L167 HydrophobicContact CE1-CD2 4.26Å; F159-L167 HydrophobicContact CE2-CD2 4.01Å; F159-L167 HydrophobicContact CG-CD1 4.2Å; F159-L167 HydrophobicContact CG-CD2 4.15Å; F159-L167 HydrophobicContact CZ-CD2 4.11Å; E162-L167 HydrophobicContact CB-CB 4.5Å; E162-L167 HydrophobicContact CG-CB 4.1Å; A163-L167 PolarHBondContact O-N 3.07Å; L164-L167 PolarHBondContact O-N 3.37Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.93Å; L167-T170 WeakPolarHBondContact O-CB 3.37Å; L167-T170 PolarHBondContact O-N 2.82Å; L167-T170 VanDerWaalsContact O-N 3.15Å; L167-V171 WeakPolarHBondContact O-CG2 3.47Å; L167-V171 PolarHBondContact O-N 3.39Å; L167-V171 VanDerWaalsContact O-N 3.1Å; L167-L198 HydrophobicContact CD2-CD2 4.06Å; L167-L202 HydrophobicContact CD2-CD1 4.22Å; L167-L202 HydrophobicContact CD2-CD2 3.95Å; L167-S246 VanDerWaalsContact CA-O 3.31Å; L167-S246 WeakPolarHBondContact CA-O 3.24Å; L167-S246 PolarHBondContact N-O 2.91Å
168	L	98.5	Very high	97.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68.1	-33.9	-178.6	-68.5	-179.1	0	0	0	112.2	Y129 L164 T170 V171 H172 L202 Y205	Y129-L168 HydrophobicContact CD1-CB 3.75Å; Y129-L168 HydrophobicContact CD2-CB 4.1Å; Y129-L168 HydrophobicContact CD2-CD1 4.18Å; Y129-L168 HydrophobicContact CE1-CB 3.98Å; Y129-L168 HydrophobicContact CE1-CD1 4.03Å; Y129-L168 HydrophobicContact CE2-CB 4.27Å; Y129-L168 HydrophobicContact CE2-CD1 3.58Å; Y129-L168 HydrophobicContact CG-CB 3.84Å; Y129-L168 VanDerWaalsContact CZ-CD1 3.5Å; L164-L168 HydrophobicContact CD1-CD1 3.82Å; L164-L168 HydrophobicContact CD1-CG 3.97Å; L164-L168 HydrophobicContact CD2-CD1 4.5Å; L164-L168 HydrophobicContact CG-CD1 3.9Å; L164-L168 HydrophobicContact CG-CG 4.34Å; L164-L168 WeakPolarHBondContact O-CB 3.43Å; L164-L168 WeakPolarHBondContact O-CG 3.49Å; L164-L168 PolarHBondContact O-N 3.17Å; L168-T170 VanDerWaalsContact C-N 3.31Å; L168-T170 PolarHBondContact O-N 3.35Å; L168-V171 PolarHBondContact O-N 2.76Å; L168-H172 WeakPolarHBondContact O-CB 3.26Å; L168-H172 PolarHBondContact O-CD2 2.9Å; L168-H172 VanDerWaalsContact O-CD2 3.26Å; L168-H172 PolarHBondContact O-N 2.75Å; L168-L202 HydrophobicContact CD2-CD1 4.11Å; L168-Y205 HydrophobicContact CD1-CD1 3.88Å; L168-Y205 HydrophobicContact CD1-CD2 4.31Å; L168-Y205 HydrophobicContact CD1-CE1 3.75Å; L168-Y205 HydrophobicContact CD1-CE2 4.2Å; L168-Y205 HydrophobicContact CD1-CG 4.17Å; L168-Y205 HydrophobicContact CD2-CD1 3.63Å; L168-Y205 HydrophobicContact CD2-CE1 3.61Å; L168-Y205 HydrophobicContact CG-CD1 4.43Å; L168-Y205 HydrophobicContact CG-CE1 4.26Å
169	R	98.4	Very high	97.8	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.015	8%	0.08	C	C	.	.	H	α-helix	trans	-61.9	-39.6	171.1	-169.3	177.8	-53.3	126.6	23.5	111.7	S124 G128 S165 A166 L167 V171 S173 E249	S124-R169 PolarHBondContact O-NH2 2.87Å; S124-R169 PolarHBondContact OG-NH1 2.78Å; S124-R169 PolarHBondContact OG-NH2 2.76Å; S124-R169 VanDerWaalsContact OG-NH2 3.12Å; G128-R169 PolarHBondContact O-NE 2.86Å; G128-R169 PolarHBondContact O-NH2 2.76Å; S165-R169 WeakPolarHBondContact O-CB 3.43Å; S165-R169 PolarHBondContact O-N 3.38Å; A166-R169 PolarHBondContact O-N 3.35Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.93Å; R169-V171 VanDerWaalsContact C-N 3.35Å; R169-V171 PolarHBondContact O-N 2.85Å; R169-S173 WeakPolarHBondContact O-CB 3.37Å; R169-S173 PolarHBondContact O-N 2.88Å; R169-E249 VanDerWaalsContact CD-OE1 3.22Å; R169-E249 WeakPolarHBondContact CD-OE1 3.47Å; R169-E249 HydrophobicContact CG-CG 4.08Å
170	T	98.8	Very high	97.7	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.012	12%	0.116	C	C	.	.	H	α-helix	trans	-60.6	-45.8	174.9	-54.1	0	0	0	0	111.5	I157 A166 L167 L168 S173 V174 S246 H247 C248	I157-T170 HydrophobicContact CD1-CG2 3.99Å; A166-T170 PolarHBondContact O-N 2.75Å; A166-T170 PolarHBondContact O-OG1 2.73Å; L167-T170 WeakPolarHBondContact O-CB 3.37Å; L167-T170 PolarHBondContact O-N 2.82Å; L167-T170 VanDerWaalsContact O-N 3.15Å; L168-T170 VanDerWaalsContact C-N 3.31Å; L168-T170 PolarHBondContact O-N 3.35Å; T170-S173 WeakPolarHBondContact O-CB 3.24Å; T170-V174 WeakPolarHBondContact O-CG2 3.45Å; T170-V174 PolarHBondContact O-N 3.33Å; T170-V174 VanDerWaalsContact O-N 3.13Å; T170-S246 PolarHBondContact OG1-O 3.45Å; T170-H247 WeakPolarHBondContact OG1-CA 3.11Å; T170-H247 PolarHBondContact OG1-N 2.79Å; T170-C248 WeakPolarHBondContact CA-O 3.46Å; T170-C248 WeakPolarHBondContact CB-O 3.34Å; T170-C248 HydrophobicContact CG2-CB 4.03Å; T170-C248 WeakPolarHBondContact CG2-O 3.25Å; T170-C248 PolarHBondContact OG1-N 2.93Å; T170-C248 PolarHBondContact OG1-O 2.9Å; T170-C248 VanDerWaalsContact OG1-O 3.07Å
171	V	98.8	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.2	-50.9	179.4	175.7	0	0	0	0	111.7	I157 L167 L168 R169 S173 V174 L175 I186 L188 L210	I157-V171 HydrophobicContact CD1-CG2 4.09Å; L167-V171 WeakPolarHBondContact O-CG2 3.47Å; L167-V171 PolarHBondContact O-N 3.39Å; L167-V171 VanDerWaalsContact O-N 3.1Å; L168-V171 PolarHBondContact O-N 2.76Å; R169-V171 VanDerWaalsContact C-N 3.35Å; R169-V171 PolarHBondContact O-N 2.85Å; V171-S173 VanDerWaalsContact C-N 3.34Å; V171-S173 PolarHBondContact O-N 3.49Å; V171-V174 WeakPolarHBondContact O-CB 3.41Å; V171-V174 PolarHBondContact O-N 2.82Å; V171-L175 HydrophobicContact CG1-CD1 4.01Å; V171-L175 WeakPolarHBondContact O-CG 3.19Å; V171-L175 PolarHBondContact O-N 2.84Å; V171-I186 HydrophobicContact CG1-CD1 4.2Å; V171-L188 HydrophobicContact CG2-CD1 4.23Å; V171-L188 HydrophobicContact CG2-CD2 3.66Å; V171-L210 HydrophobicContact CG1-CD1 3.83Å; V171-L210 HydrophobicContact CG1-CD2 4.14Å
172	H	98.6	Very high	97.7	Very high	14 Å²	14	24.4 Å²	24.4	7%	0.065	13%	0.134	C	C	.	.	H	α-helix	trans	-65.5	-37.9	179.9	-79.2	-64.9	0	0	0	112.2	H130 L168 V174 L175 D176 Y205	H130-H172 AromaticContact CE1-CE1 3.7Å; H130-H172 AromaticContact CE1-CG 3.42Å; H130-H172 VanDerWaalsContact CE1-CG 3.42Å; H130-H172 AromaticContact CE1-ND1 3.13Å; H130-H172 PolarHBondContact CE1-ND1 3.48Å; H130-H172 AromaticContact NE2-CE1 3.72Å; H130-H172 AromaticContact NE2-CG 3.82Å; H130-H172 AromaticContact NE2-ND1 3.61Å; L168-H172 WeakPolarHBondContact O-CB 3.26Å; L168-H172 PolarHBondContact O-CD2 2.9Å; L168-H172 VanDerWaalsContact O-CD2 3.26Å; L168-H172 PolarHBondContact O-N 2.75Å; H172-V174 VanDerWaalsContact C-N 3.28Å; H172-V174 PolarHBondContact O-N 2.74Å; H172-L175 PolarHBondContact O-N 2.47Å; H172-L175 VanDerWaalsContact O-N 3.07Å; H172-D176 VanDerWaalsContact O-CB 3.28Å; H172-D176 WeakPolarHBondContact O-CB 3.42Å; H172-D176 PolarHBondContact O-N 3.12Å; H172-Y205 AromaticContact NE2-CE1 3.88Å; H172-Y205 AromaticContact NE2-CZ 3.84Å; H172-Y205 PolarHBondContact NE2-OH 3.29Å
173	S	98.6	Very high	97.7	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.014	14%	0.139	C	C	.	.	H	α-helix	trans	-55.7	-41.2	172.2	-174.2	0	0	0	0	112.4	R169 T170 V171 R177 E249 V250	R169-S173 WeakPolarHBondContact O-CB 3.37Å; R169-S173 PolarHBondContact O-N 2.88Å; T170-S173 WeakPolarHBondContact O-CB 3.24Å; V171-S173 VanDerWaalsContact C-N 3.34Å; V171-S173 PolarHBondContact O-N 3.49Å; S173-R177 PolarHBondContact O-N 3.16Å; S173-R177 PolarHBondContact O-NH1 3.32Å; S173-R177 PolarHBondContact OG-NH1 3.06Å; S173-R177 PolarHBondContact OG-NH2 2.99Å; S173-R177 VanDerWaalsContact OG-NH2 3.12Å; S173-E249 WeakPolarHBondContact OG-CA 3.27Å; S173-E249 WeakPolarHBondContact OG-CB 3.46Å; S173-V250 WeakPolarHBondContact O-CG2 3.2Å; S173-V250 PolarHBondContact OG-N 3.17Å
174	V	98.8	Very high	97.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.6	-46	173	171.9	0	0	0	0	111.4	V155 T170 V171 H172 T178 L183 I186 L244 V250 W254	V155-V174 HydrophobicContact CG1-CG1 4.44Å; V155-V174 HydrophobicContact CG1-CG2 4.39Å; V155-V174 HydrophobicContact CG2-CG1 4.07Å; T170-V174 WeakPolarHBondContact O-CG2 3.45Å; T170-V174 PolarHBondContact O-N 3.33Å; T170-V174 VanDerWaalsContact O-N 3.13Å; V171-V174 WeakPolarHBondContact O-CB 3.41Å; V171-V174 PolarHBondContact O-N 2.82Å; H172-V174 VanDerWaalsContact C-N 3.28Å; H172-V174 PolarHBondContact O-N 2.74Å; V174-T178 WeakPolarHBondContact O-CB 3.48Å; V174-T178 PolarHBondContact O-N 3.23Å; V174-T178 VanDerWaalsContact O-N 3.16Å; V174-T178 PolarHBondContact O-OG1 2.66Å; V174-L183 HydrophobicContact CG1-CD1 4.11Å; V174-L183 HydrophobicContact CG1-CD2 4.21Å; V174-I186 HydrophobicContact CB-CD1 4.27Å; V174-I186 HydrophobicContact CG1-CD1 3.86Å; V174-I186 HydrophobicContact CG1-CG1 4.32Å; V174-L244 HydrophobicContact CG2-CD1 3.61Å; V174-V250 HydrophobicContact CG2-CG1 4.07Å; V174-W254 HydrophobicContact CG2-CZ2 4.43Å
175	L	98.3	Very high	97.9	Very high	39 Å²	39	26.9 Å²	26.9	20%	0.204	15%	0.145	C	C	.	.	H	α-helix	trans	-63.1	-42.1	-179	-69.5	172.6	0	0	0	112.6	V171 H172 L183 I186 L210 P211	V171-L175 HydrophobicContact CG1-CD1 4.01Å; V171-L175 WeakPolarHBondContact O-CG 3.19Å; V171-L175 PolarHBondContact O-N 2.84Å; H172-L175 PolarHBondContact O-N 2.47Å; H172-L175 VanDerWaalsContact O-N 3.07Å; L175-L183 HydrophobicContact CD2-CD2 3.87Å; L175-I186 HydrophobicContact CD2-CD1 3.65Å; L175-I186 HydrophobicContact CG-CD1 3.81Å; L175-L210 HydrophobicContact CD1-CD2 4.05Å; L175-P211 HydrophobicContact CD1-CG 4.27Å; L175-P211 HydrophobicContact CD2-CG 3.86Å
176	D	97.6	Very high	98	Very high	92 Å²	92	26.7 Å²	26.7	49%	0.492	14%	0.143	S	C	.	.	H	α-helix	trans	-73.5	-35.4	-173.6	-67.3	-20.8	0	0	0	112	H130 H172	H130-D176 IonicContact CE1-OD1 2.7Å; H130-D176 IonicContact CE1-OD2 2.88Å; H130-D176 IonicContact CG-OD2 2.82Å; H130-D176 IonicContact ND1-OD1 3.56Å; H130-D176 IonicContact ND1-OD2 3.37Å; H130-D176 PolarHBondContact ND1-OD2 2.82Å; H172-D176 VanDerWaalsContact O-CB 3.28Å; H172-D176 WeakPolarHBondContact O-CB 3.42Å; H172-D176 PolarHBondContact O-N 3.12Å
177	R	97.6	Very high	98	Very high	22 Å²	22	26.5 Å²	26.5	8%	0.083	14%	0.142	C	C	.	.	H	α-helix	trans	-112.4	14.3	-172.8	-64.3	-173.5	-122.9	80.6	-4.5	114.7	S173 V250 E252	S173-R177 PolarHBondContact O-N 3.16Å; S173-R177 PolarHBondContact O-NH1 3.32Å; S173-R177 PolarHBondContact OG-NH1 3.06Å; S173-R177 PolarHBondContact OG-NH2 2.99Å; S173-R177 VanDerWaalsContact OG-NH2 3.12Å; R177-V250 HydrophobicContact CB-CG2 4.14Å; R177-V250 PolarHBondContact NH1-O 2.91Å; R177-E252 WeakPolarHBondContact CD-OE1 3.28Å
178	T	98.1	Very high	98.1	Very high	11 Å²	11	26.5 Å²	26.5	7%	0.067	14%	0.142	C	C	.	.	S	Bend	trans	-118.3	125.9	175.6	-50.4	0	0	0	0	111	V174 A180 L183 W254 L255	V174-T178 WeakPolarHBondContact O-CB 3.48Å; V174-T178 PolarHBondContact O-N 3.23Å; V174-T178 VanDerWaalsContact O-N 3.16Å; V174-T178 PolarHBondContact O-OG1 2.66Å; T178-A180 PolarHBondContact O-N 2.69Å; T178-L183 HydrophobicContact CG2-CB 3.85Å; T178-W254 PolarHBondContact OG1-NE1 2.86Å; T178-W254 VanDerWaalsContact OG1-NE1 3.08Å; T178-L255 HydrophobicContact CG2-CB 4.47Å; T178-L255 HydrophobicContact CG2-CD2 3.48Å; T178-L255 VanDerWaalsContact CG2-CD2 3.48Å
179	P	96.1	Very high	98.1	Very high	36 Å²	36	26.5 Å²	26.5	23%	0.234	14%	0.142	C	C	.	.			trans	-59.4	133.3	175.8	-22.7	32.3	0	0	0	112.3	Y181 L182 L183	P179-Y181 HydrophobicContact CB-CD1 3.68Å; P179-Y181 HydrophobicContact CB-CE1 3.31Å; P179-Y181 HydrophobicContact CG-CE1 4.19Å; P179-Y181 PolarHBondContact O-N 2.81Å; P179-Y181 VanDerWaalsContact O-N 3.09Å; P179-L182 HydrophobicContact CB-CD1 4.34Å; P179-L182 HydrophobicContact CB-CG 4.42Å; P179-L182 HydrophobicContact CG-CD1 4.11Å; P179-L182 PolarHBondContact O-N 2.92Å; P179-L183 PolarHBondContact O-N 2.79Å
180	A	95.3	Very high	98.1	Very high	93 Å²	93	26.4 Å²	26.4	77%	0.769	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.3	-174.8	0	0	0	0	0	114.3	T178 L182	T178-A180 PolarHBondContact O-N 2.69Å; A180-L182 VanDerWaalsContact C-N 3.3Å; A180-L182 PolarHBondContact O-N 3.31Å
181	Y	95.8	Very high	98	Very high	147 Å²	147	26.7 Å²	26.7	58%	0.576	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-16.3	177.6	69.8	-89.2	0	0	0	113.7	P179	P179-Y181 HydrophobicContact CB-CD1 3.68Å; P179-Y181 HydrophobicContact CB-CE1 3.31Å; P179-Y181 HydrophobicContact CG-CE1 4.19Å; P179-Y181 PolarHBondContact O-N 2.81Å; P179-Y181 VanDerWaalsContact O-N 3.09Å
182	L	98	Very high	97.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-29.1	175.8	-62.4	178.2	0	0	0	112.3	L150 F152 A153 P179 A180 H184 L255 Q256 L259	L150-L182 HydrophobicContact CB-CD2 3.7Å; F152-L182 CarbonylContact C-O 3.53Å; F152-L182 WeakPolarHBondContact CA-O 3.38Å; A153-L182 PolarHBondContact N-O 3.08Å; P179-L182 HydrophobicContact CB-CD1 4.34Å; P179-L182 HydrophobicContact CB-CG 4.42Å; P179-L182 HydrophobicContact CG-CD1 4.11Å; P179-L182 PolarHBondContact O-N 2.92Å; A180-L182 VanDerWaalsContact C-N 3.3Å; A180-L182 PolarHBondContact O-N 3.31Å; L182-H184 PolarHBondContact O-N 2.61Å; L182-L255 HydrophobicContact CB-CD2 4.02Å; L182-Q256 HydrophobicContact CD1-CG 3.7Å; L182-L259 HydrophobicContact CB-CD1 4.47Å; L182-L259 HydrophobicContact CD1-CD1 4.28Å; L182-L259 HydrophobicContact CD2-CD1 4.07Å
183	L	98.4	Very high	97.8	Very high	22 Å²	22	28.7 Å²	28.7	12%	0.115	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	101	-179.7	-175	61.7	0	0	0	110.7	V155 V174 L175 T178 P179 I186	V155-L183 HydrophobicContact CB-CD1 4.43Å; V155-L183 HydrophobicContact CG2-CD1 3.67Å; V174-L183 HydrophobicContact CG1-CD1 4.11Å; V174-L183 HydrophobicContact CG1-CD2 4.21Å; L175-L183 HydrophobicContact CD2-CD2 3.87Å; T178-L183 HydrophobicContact CG2-CB 3.85Å; P179-L183 PolarHBondContact O-N 2.79Å; L183-I186 HydrophobicContact CD1-CG1 4.07Å; L183-I186 HydrophobicContact CD2-CD1 4.22Å; L183-I186 HydrophobicContact CD2-CG1 4.28Å
184	H	98.5	Very high	97.7	Very high	68 Å²	68	35.4 Å²	35.4	32%	0.315	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-49.1	179.3	-173.2	61.5	0	0	0	112.1	F152 A153 L182 T237 G238	F152-H184 HydrophobicContact CB-CB 4.17Å; F152-H184 HydrophobicContact CD2-CB 3.83Å; F152-H184 AromaticContact CD2-CG 3.69Å; F152-H184 AromaticContact CD2-ND1 3.73Å; F152-H184 HydrophobicContact CG-CB 4.44Å; A153-H184 VanDerWaalsContact O-CB 3.3Å; A153-H184 WeakPolarHBondContact O-CB 3.29Å; A153-H184 PolarHBondContact O-N 3.05Å; L182-H184 PolarHBondContact O-N 2.61Å; H184-T237 PolarHBondContact CD2-OG1 3.37Å; H184-T237 PolarHBondContact NE2-OG1 2.94Å; H184-G238 PolarHBondContact CD2-N 3.01Å
185	E	98.7	Very high	97.5	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.019	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	159	-179.1	60.8	-169.3	142.3	0	0	111.4	S154 V155 I187 T213 K215 T237	S154-E185 WeakPolarHBondContact CA-O 3.36Å; S154-E185 VanDerWaalsContact OG-CG 3.26Å; S154-E185 WeakPolarHBondContact OG-CG 3.33Å; S154-E185 PolarHBondContact OG-OE1 2.94Å; V155-E185 PolarHBondContact N-O 2.95Å; E185-I187 HydrophobicContact CG-CD1 4.23Å; E185-I187 HydrophobicContact CG-CG1 4.15Å; E185-T213 VanDerWaalsContact CA-O 3.29Å; E185-T213 WeakPolarHBondContact CA-O 3.39Å; E185-T213 WeakPolarHBondContact CB-O 3.19Å; E185-K215 WeakPolarHBondContact OE2-CD 3.48Å; E185-K215 WeakPolarHBondContact OE2-CE 3.06Å; E185-K215 IonicContact OE2-NZ 2.86Å; E185-K215 PolarHBondContact OE2-NZ 3.21Å; E185-T237 PolarHBondContact OE1-N 3.4Å; E185-T237 PolarHBondContact OE1-OG1 3.5Å
186	I	98.9	Very high	97.3	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.2	167.4	-60.2	177.5	0	0	0	107.7	V155 I157 V171 V174 L175 L183 L188 T213 T214 K215	V155-I186 HydrophobicContact CB-CG1 4.39Å; V155-I186 CarbonylContact O-C 3.16Å; V155-I186 WeakPolarHBondContact O-CA 3.15Å; I157-I186 HydrophobicContact CD1-CG2 4.1Å; V171-I186 HydrophobicContact CG1-CD1 4.2Å; V174-I186 HydrophobicContact CB-CD1 4.27Å; V174-I186 HydrophobicContact CG1-CD1 3.86Å; V174-I186 HydrophobicContact CG1-CG1 4.32Å; L175-I186 HydrophobicContact CD2-CD1 3.65Å; L175-I186 HydrophobicContact CG-CD1 3.81Å; L183-I186 HydrophobicContact CD1-CG1 4.07Å; L183-I186 HydrophobicContact CD2-CD1 4.22Å; L183-I186 HydrophobicContact CD2-CG1 4.28Å; I186-L188 HydrophobicContact CG2-CD2 3.77Å; I186-L188 HydrophobicContact CG2-CG 4.37Å; I186-T213 PolarHBondContact N-O 2.88Å; I186-T213 VanDerWaalsContact N-O 3.13Å; I186-T214 HydrophobicContact CB-CG2 4.14Å; I186-T214 HydrophobicContact CG2-CG2 4.28Å; I186-T214 CarbonylContact O-C 3.56Å; I186-T214 VanDerWaalsContact O-CA 3.31Å; I186-T214 WeakPolarHBondContact O-CA 3.3Å; I186-K215 PolarHBondContact O-N 2.7Å
187	I	98.9	Very high	97.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	108.8	179.4	-58	174.8	0	0	0	108.3	V155 I156 I157 E185 V189 V217 H235 A236	V155-I187 PolarHBondContact O-N 2.96Å; I156-I187 WeakPolarHBondContact CA-O 3.42Å; I156-I187 HydrophobicContact CG1-CB 4.37Å; I157-I187 PolarHBondContact N-O 3.08Å; E185-I187 HydrophobicContact CG-CD1 4.23Å; E185-I187 HydrophobicContact CG-CG1 4.15Å; I187-V189 HydrophobicContact CG2-CG2 4Å; I187-V217 HydrophobicContact CG2-CG2 3.98Å; I187-H235 HydrophobicContact CD1-CB 4.16Å; I187-H235 HydrophobicContact CG2-CB 4.46Å; I187-A236 VanDerWaalsContact CD1-CA 3.47Å; I187-A236 HydrophobicContact CD1-CB 3.74Å
188	L	98.9	Very high	97	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.1	174.2	-53.3	-176.2	0	0	0	108.4	I157 F159 V171 I186 V206 T214 K215 L216 V217	I157-L188 HydrophobicContact CB-CD2 3.89Å; I157-L188 HydrophobicContact CD1-CD2 3.97Å; I157-L188 HydrophobicContact CG1-CD2 4.38Å; I157-L188 HydrophobicContact CG2-CD2 4.44Å; I157-L188 WeakPolarHBondContact O-CA 3.45Å; F159-L188 HydrophobicContact CE1-CB 4.03Å; V171-L188 HydrophobicContact CG2-CD1 4.23Å; V171-L188 HydrophobicContact CG2-CD2 3.66Å; I186-L188 HydrophobicContact CG2-CD2 3.77Å; I186-L188 HydrophobicContact CG2-CG 4.37Å; L188-V206 HydrophobicContact CD1-CG2 3.98Å; L188-T214 HydrophobicContact CD1-CG2 4.21Å; L188-T214 HydrophobicContact CG-CG2 4.27Å; L188-K215 PolarHBondContact N-O 3.3Å; L188-L216 HydrophobicContact CB-CD1 3.82Å; L188-V217 PolarHBondContact O-N 2.87Å
189	V	98.8	Very high	96.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	104.8	179.1	-171.9	0	0	0	0	109.2	I156 I157 C158 F159 I187 D191 V217 I231	I156-V189 HydrophobicContact CG2-CG2 4.3Å; I157-V189 PolarHBondContact O-N 2.52Å; C158-V189 WeakPolarHBondContact CA-O 3.13Å; C158-V189 HydrophobicContact CB-CB 4.49Å; F159-V189 WeakPolarHBondContact CD1-O 3.12Å; F159-V189 PolarHBondContact N-O 3.32Å; I187-V189 HydrophobicContact CG2-CG2 4Å; V189-D191 PolarHBondContact O-N 2.88Å; V189-V217 WeakPolarHBondContact CA-O 3.34Å; V189-I231 HydrophobicContact CG1-CG2 4.37Å
190	D	98.6	Very high	96.8	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	108.7	171.5	178.8	21.7	0	0	0	109.5	F159 N192 S193 K199 V217 R218 N219	F159-D190 HydrophobicContact CE1-CB 3.98Å; F159-D190 HydrophobicContact CE2-CB 3.9Å; F159-D190 HydrophobicContact CZ-CB 3.47Å; F159-D190 VanDerWaalsContact CZ-CB 3.47Å; D190-N192 PolarHBondContact O-N 3.49Å; D190-N192 PolarHBondContact OD1-N 3.45Å; D190-S193 WeakPolarHBondContact OD1-CB 3.3Å; D190-S193 PolarHBondContact OD1-N 3.1Å; D190-S193 PolarHBondContact OD1-OG 2.82Å; D190-K199 IonicContact OD2-NZ 2.99Å; D190-K199 PolarHBondContact OD2-NZ 2.68Å; D190-V217 PolarHBondContact N-O 3.05Å; D190-R218 HydrophobicContact CB-CB 4.45Å; D190-R218 HydrophobicContact CB-CG 4.05Å; D190-R218 IonicContact OD2-CZ 3.75Å; D190-R218 IonicContact OD2-NH1 2.65Å; D190-R218 PolarHBondContact OD2-NH1 3.13Å; D190-N219 PolarHBondContact O-N 3.26Å
191	D	97.4	Very high	96.8	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.048	22%	0.221	C	C	.	.			trans	-80.6	51.4	177.3	-171.5	37.4	0	0	0	112.2	F159 Y160 V189 N219 E223 G224	F159-D191 PolarHBondContact O-N 3.09Å; Y160-D191 WeakPolarHBondContact CD2-O 3.45Å; V189-D191 PolarHBondContact O-N 2.88Å; D191-N219 PolarHBondContact OD1-ND2 3.36Å; D191-E223 WeakPolarHBondContact OD1-CA 3.2Å; D191-E223 WeakPolarHBondContact OD1-CB 3.26Å; D191-E223 PolarHBondContact OD1-N 3.04Å; D191-G224 PolarHBondContact OD1-N 3Å; D191-G224 WeakPolarHBondContact OD2-CA 3.35Å; D191-G224 PolarHBondContact OD2-N 3.3Å
192	N	96.9	Very high	96.9	Very high	53 Å²	53	37.5 Å²	37.5	28%	0.283	19%	0.194	S	C	.	.	S	Bend	trans	57.3	53.1	-178.4	-168.8	40.2	0	0	0	113.8	Y160 D190 K221	Y160-N192 WeakPolarHBondContact CE2-O 3.43Å; D190-N192 PolarHBondContact O-N 3.49Å; D190-N192 PolarHBondContact OD1-N 3.45Å; N192-K221 VanDerWaalsContact CB-C 3.47Å
193	S	96.9	Very high	96.9	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.014	21%	0.21	C	C	.	.			trans	-57.6	155.6	174.6	-57.7	0	0	0	0	112.3	Y160 N161 D190 K199	Y160-S193 WeakPolarHBondContact CA-OG 3.47Å; N161-S193 PolarHBondContact N-OG 3.14Å; N161-S193 WeakPolarHBondContact OD1-CA 3.47Å; N161-S193 WeakPolarHBondContact OD1-CB 3.33Å; D190-S193 WeakPolarHBondContact OD1-CB 3.3Å; D190-S193 PolarHBondContact OD1-N 3.1Å; D190-S193 PolarHBondContact OD1-OG 2.82Å; S193-K199 WeakPolarHBondContact O-CE 3.41Å; S193-K199 PolarHBondContact O-NZ 2.94Å
194	E	94.6	Very high	96.8	Very high	144 Å²	144	43.9 Å²	43.9	67%	0.673	23%	0.228	S	C	*	.			trans	-107.9	-18.5	-178.5	-67.3	165.2	-159.7	0	0	112.4	Y160 N161	Y160-E194 PolarHBondContact OH-OE1 3.4Å; Y160-E194 VanDerWaalsContact OH-OE1 3.08Å; N161-E194 PolarHBondContact OD1-N 3.26Å
195	L	94.4	Very high	96.8	Very high	35 Å²	35	42.9 Å²	42.9	18%	0.183	22%	0.222	C	C	.	.			trans	-68	134.7	-178.9	-53.7	178.9	0	0	0	111.4	N161 D197 L198	N161-L195 HydrophobicContact CB-CD1 4.05Å; N161-L195 HydrophobicContact CB-CG 4.15Å; N161-L195 VanDerWaalsContact O-CD1 3.3Å; N161-L195 WeakPolarHBondContact O-CD1 3.36Å; N161-L195 PolarHBondContact OD1-N 3.41Å; L195-D197 WeakPolarHBondContact CB-OD1 3.31Å; L195-D197 PolarHBondContact O-N 3.04Å; L195-L198 HydrophobicContact CB-CD1 4.1Å; L195-L198 HydrophobicContact CB-CG 4.18Å; L195-L198 HydrophobicContact CD1-CD1 4.14Å; L195-L198 HydrophobicContact CG-CD1 4.43Å; L195-L198 PolarHBondContact O-N 2.9Å
196	A	94.7	Very high	96.8	Very high	80 Å²	80	43.3 Å²	43.3	66%	0.661	23%	0.225	S	C	*	.	S	Bend	trans	-65.8	-37.7	-172.1	0	0	0	0	0	113.2	L198 K199	A196-L198 VanDerWaalsContact C-N 3.26Å; A196-L198 PolarHBondContact O-N 3.09Å; A196-K199 WeakPolarHBondContact O-CB 3.49Å; A196-K199 PolarHBondContact O-N 2.76Å
197	D	93.3	Very high	96.7	Very high	55 Å²	55	52 Å²	52	29%	0.294	26%	0.262	S	S	.	.	I	π-helix	trans	-63.6	-30.1	176.6	58	-15.8	0	0	0	112.5	L164 L195 K199 L202	L164-D197 HydrophobicContact CD2-CB 4.36Å; L195-D197 WeakPolarHBondContact CB-OD1 3.31Å; L195-D197 PolarHBondContact O-N 3.04Å; D197-K199 PolarHBondContact O-N 3.08Å; D197-L202 PolarHBondContact O-N 2.86Å
198	L	96.5	Very high	96.6	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.	I	π-helix	trans	-77.2	-3.3	174	-61.2	179.8	0	0	0	113.8	F159 E162 L164 L167 L195 A196 L202 R218	F159-L198 HydrophobicContact CD2-CD1 4.23Å; F159-L198 HydrophobicContact CE2-CB 4.44Å; F159-L198 HydrophobicContact CE2-CD1 4.19Å; F159-L198 HydrophobicContact CE2-CD2 4.17Å; E162-L198 WeakPolarHBondContact O-CD1 3.22Å; L164-L198 HydrophobicContact CD1-CD2 4.23Å; L167-L198 HydrophobicContact CD2-CD2 4.06Å; L195-L198 HydrophobicContact CB-CD1 4.1Å; L195-L198 HydrophobicContact CB-CG 4.18Å; L195-L198 HydrophobicContact CD1-CD1 4.14Å; L195-L198 HydrophobicContact CG-CD1 4.43Å; L195-L198 PolarHBondContact O-N 2.9Å; A196-L198 VanDerWaalsContact C-N 3.26Å; A196-L198 PolarHBondContact O-N 3.09Å; L198-L202 HydrophobicContact CD2-CD2 4.21Å; L198-R218 VanDerWaalsContact O-CZ 3.29Å; L198-R218 PolarHBondContact O-NH1 2.65Å; L198-R218 PolarHBondContact O-NH2 3.24Å
199	K	95.6	Very high	96.5	Very high	72 Å²	72	61.6 Å²	61.6	31%	0.313	31%	0.313	S	S	.	.	I	π-helix	trans	-95.7	-98.9	-179.6	-60.8	-58.2	-176	-174.3	0	112.2	D190 S193 A196 D197 S203 R218	D190-K199 IonicContact OD2-NZ 2.99Å; D190-K199 PolarHBondContact OD2-NZ 2.68Å; S193-K199 WeakPolarHBondContact O-CE 3.41Å; S193-K199 PolarHBondContact O-NZ 2.94Å; A196-K199 WeakPolarHBondContact O-CB 3.49Å; A196-K199 PolarHBondContact O-N 2.76Å; D197-K199 PolarHBondContact O-N 3.08Å; K199-S203 WeakPolarHBondContact O-CB 3.42Å; K199-S203 PolarHBondContact O-N 2.7Å; K199-S203 PolarHBondContact O-OG 2.95Å; K199-R218 PolarHBondContact O-NH2 2.7Å
200	K	94.4	Very high	96.5	Very high	150 Å²	150	62.3 Å²	62.3	65%	0.652	32%	0.317	S	S	*	.	I	π-helix	trans	-68.7	-43.6	-173.6	-171.3	-176.1	171.2	-165.4	0	110.4	S203 E204	K200-S203 WeakPolarHBondContact O-CB 3.23Å; K200-S203 PolarHBondContact O-N 2.97Å; K200-S203 VanDerWaalsContact O-N 3.13Å; K200-E204 PolarHBondContact O-N 2.97Å
201	D	95.4	Very high	96.4	Very high	92 Å²	92	65 Å²	65	49%	0.492	33%	0.334	S	S	.	.	I	π-helix	trans	-64.6	-46.9	-173.6	-52.3	-18	0	0	0	111.1	S203 E204 Y205	D201-S203 PolarHBondContact O-N 2.89Å; D201-E204 PolarHBondContact O-N 3.27Å; D201-Y205 WeakPolarHBondContact O-CB 3.28Å; D201-Y205 PolarHBondContact O-N 2.71Å
202	L	97.5	Very high	96.4	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-60.3	-42.3	172.4	179.9	63.1	0	0	0	112.7	F159 L164 L167 L168 D197 L198 E204 Y205 V206 L216	F159-L202 HydrophobicContact CE1-CD2 4.45Å; F159-L202 HydrophobicContact CE2-CD2 3.92Å; F159-L202 HydrophobicContact CZ-CD2 3.51Å; L164-L202 HydrophobicContact CD1-CB 4.48Å; L164-L202 HydrophobicContact CD1-CD1 4Å; L167-L202 HydrophobicContact CD2-CD1 4.22Å; L167-L202 HydrophobicContact CD2-CD2 3.95Å; L168-L202 HydrophobicContact CD2-CD1 4.11Å; D197-L202 PolarHBondContact O-N 2.86Å; L198-L202 HydrophobicContact CD2-CD2 4.21Å; L202-E204 VanDerWaalsContact C-N 3.31Å; L202-E204 PolarHBondContact O-N 3.12Å; L202-Y205 PolarHBondContact O-N 2.96Å; L202-V206 HydrophobicContact CD1-CG2 3.97Å; L202-V206 HydrophobicContact CG-CG2 4.29Å; L202-V206 VanDerWaalsContact O-CG2 3.24Å; L202-V206 WeakPolarHBondContact O-CG2 3.44Å; L202-V206 PolarHBondContact O-N 2.92Å; L202-L216 HydrophobicContact CD2-CD1 4.31Å; L202-L216 HydrophobicContact CD2-CD2 4.43Å; L202-L216 HydrophobicContact CG-CD2 4.28Å
203	S	97.1	Very high	96.3	Very high	47 Å²	47	75.4 Å²	75.4	33%	0.329	38%	0.382	S	S	.	.	H	α-helix	trans	-62.5	-40.7	178.9	-53.1	0	0	0	0	112	K199 K200 D201 K207 R218	K199-S203 WeakPolarHBondContact O-CB 3.42Å; K199-S203 PolarHBondContact O-N 2.7Å; K199-S203 PolarHBondContact O-OG 2.95Å; K200-S203 WeakPolarHBondContact O-CB 3.23Å; K200-S203 PolarHBondContact O-N 2.97Å; K200-S203 VanDerWaalsContact O-N 3.13Å; D201-S203 PolarHBondContact O-N 2.89Å; S203-K207 WeakPolarHBondContact O-CB 3.36Å; S203-K207 PolarHBondContact O-N 2.94Å; S203-R218 PolarHBondContact OG-NH2 2.68Å
204	E	97.5	Very high	96.4	Very high	108 Å²	108	75.9 Å²	75.9	51%	0.505	39%	0.385	S	S	.	.	H	α-helix	trans	-66.4	-47.2	175.8	-172.7	161.4	-176.4	0	0	110.2	K200 D201 L202 V206 K207 T208	K200-E204 PolarHBondContact O-N 2.97Å; D201-E204 PolarHBondContact O-N 3.27Å; L202-E204 VanDerWaalsContact C-N 3.31Å; L202-E204 PolarHBondContact O-N 3.12Å; E204-V206 PolarHBondContact O-N 3.34Å; E204-K207 WeakPolarHBondContact O-CB 3.43Å; E204-K207 PolarHBondContact O-N 2.77Å; E204-T208 HydrophobicContact CG-CG2 4.31Å; E204-T208 WeakPolarHBondContact O-CG2 3.5Å; E204-T208 PolarHBondContact O-N 3.07Å; E204-T208 PolarHBondContact O-OG1 3.29Å
205	Y	97.9	Very high	96.6	Very high	47 Å²	47	73 Å²	73	18%	0.184	37%	0.37	C	S	.	.	H	α-helix	trans	-58.9	-47.5	179.4	-170.4	-84.7	0	0	0	112.8	Y129 L168 H172 D201 L202 K207 T208 H209 L210	Y129-Y205 WeakPolarHBondContact CD2-OH 3.39Å; Y129-Y205 AromaticContact CE2-CE2 3.96Å; Y129-Y205 HydrophobicContact CE2-CE2 3.96Å; Y129-Y205 AromaticContact CE2-CZ 3.87Å; L168-Y205 HydrophobicContact CD1-CD1 3.88Å; L168-Y205 HydrophobicContact CD1-CD2 4.31Å; L168-Y205 HydrophobicContact CD1-CE1 3.75Å; L168-Y205 HydrophobicContact CD1-CE2 4.2Å; L168-Y205 HydrophobicContact CD1-CG 4.17Å; L168-Y205 HydrophobicContact CD2-CD1 3.63Å; L168-Y205 HydrophobicContact CD2-CE1 3.61Å; L168-Y205 HydrophobicContact CG-CD1 4.43Å; L168-Y205 HydrophobicContact CG-CE1 4.26Å; H172-Y205 AromaticContact NE2-CE1 3.88Å; H172-Y205 AromaticContact NE2-CZ 3.84Å; H172-Y205 PolarHBondContact NE2-OH 3.29Å; D201-Y205 WeakPolarHBondContact O-CB 3.28Å; D201-Y205 PolarHBondContact O-N 2.71Å; L202-Y205 PolarHBondContact O-N 2.96Å; Y205-K207 PolarHBondContact O-N 2.85Å; Y205-T208 PolarHBondContact O-N 2.77Å; Y205-H209 HydrophobicContact CD1-CB 4.27Å; Y205-H209 HydrophobicContact CD2-CB 4.34Å; Y205-H209 AromaticContact CD2-CD2 3.43Å; Y205-H209 VanDerWaalsContact CD2-CD2 3.43Å; Y205-H209 WeakPolarHBondContact CD2-CD2 3.36Å; Y205-H209 HydrophobicContact CE1-CB 3.96Å; Y205-H209 HydrophobicContact CE2-CB 4.04Å; Y205-H209 AromaticContact CE2-CD2 3.63Å; Y205-H209 AromaticContact CE2-CG 3.91Å; Y205-H209 HydrophobicContact CG-CB 4.44Å; Y205-H209 AromaticContact CG-CD2 3.97Å; Y205-H209 WeakPolarHBondContact O-CB 3.23Å; Y205-H209 PolarHBondContact O-N 2.89Å; Y205-L210 HydrophobicContact CD1-CG 4.26Å; Y205-L210 HydrophobicContact CE1-CD2 3.93Å; Y205-L210 HydrophobicContact CE1-CG 4.14Å
206	V	98	Very high	96.8	Very high	13 Å²	13	73.5 Å²	73.5	8%	0.079	37%	0.373	C	S	.	.	H	α-helix	trans	-59.4	-38.4	176.8	172.6	0	0	0	0	110.8	L188 L202 E204 L210 T214 L216	L188-V206 HydrophobicContact CD1-CG2 3.98Å; L202-V206 HydrophobicContact CD1-CG2 3.97Å; L202-V206 HydrophobicContact CG-CG2 4.29Å; L202-V206 VanDerWaalsContact O-CG2 3.24Å; L202-V206 WeakPolarHBondContact O-CG2 3.44Å; L202-V206 PolarHBondContact O-N 2.92Å; E204-V206 PolarHBondContact O-N 3.34Å; V206-L210 HydrophobicContact CB-CD1 4.28Å; V206-L210 HydrophobicContact CG1-CD1 4.36Å; V206-L210 HydrophobicContact CG2-CD1 3.91Å; V206-L210 WeakPolarHBondContact O-CB 3.45Å; V206-T214 HydrophobicContact CG1-CG2 4.12Å; V206-L216 HydrophobicContact CG1-CB 4.4Å; V206-L216 HydrophobicContact CG2-CD2 4.47Å
207	K	97.2	Very high	97	Very high	183 Å²	183	70.7 Å²	70.7	80%	0.796	35%	0.347	S	S	*	.	H	α-helix	trans	-74.1	-36.4	-178.9	-176	-179.3	176.8	-175.7	0	113.1	S203 E204 Y205	S203-K207 WeakPolarHBondContact O-CB 3.36Å; S203-K207 PolarHBondContact O-N 2.94Å; E204-K207 WeakPolarHBondContact O-CB 3.43Å; E204-K207 PolarHBondContact O-N 2.77Å; Y205-K207 PolarHBondContact O-N 2.85Å
208	T	97.3	Very high	97.2	Very high	84 Å²	84	71.8 Å²	71.8	52%	0.515	35%	0.348	S	S	.	.	H	α-helix	trans	-96.5	-32.7	-171.8	56.2	0	0	0	0	113.6	E204 Y205	E204-T208 HydrophobicContact CG-CG2 4.31Å; E204-T208 WeakPolarHBondContact O-CG2 3.5Å; E204-T208 PolarHBondContact O-N 3.07Å; E204-T208 PolarHBondContact O-OG1 3.29Å; Y205-T208 PolarHBondContact O-N 2.77Å
209	H	97.4	Very high	97.2	Very high	119 Å²	119	72.5 Å²	72.5	55%	0.551	35%	0.351	S	S	*	.	H	α-helix	trans	-113.5	-20.3	-170.3	-62.1	-70.7	0	0	0	114.5	Y205	Y205-H209 HydrophobicContact CD1-CB 4.27Å; Y205-H209 HydrophobicContact CD2-CB 4.34Å; Y205-H209 AromaticContact CD2-CD2 3.43Å; Y205-H209 VanDerWaalsContact CD2-CD2 3.43Å; Y205-H209 WeakPolarHBondContact CD2-CD2 3.36Å; Y205-H209 HydrophobicContact CE1-CB 3.96Å; Y205-H209 HydrophobicContact CE2-CB 4.04Å; Y205-H209 AromaticContact CE2-CD2 3.63Å; Y205-H209 AromaticContact CE2-CG 3.91Å; Y205-H209 HydrophobicContact CG-CB 4.44Å; Y205-H209 AromaticContact CG-CD2 3.97Å; Y205-H209 WeakPolarHBondContact O-CB 3.23Å; Y205-H209 PolarHBondContact O-N 2.89Å
210	L	97.9	Very high	97.2	Very high	14 Å²	14	78.6 Å²	78.6	7%	0.073	38%	0.381	C	S	.	.	S	Bend	trans	-99.7	155.9	-178.5	-57.7	-174.4	0	0	0	112.3	V171 L175 Y205 V206 T214	V171-L210 HydrophobicContact CG1-CD1 3.83Å; V171-L210 HydrophobicContact CG1-CD2 4.14Å; L175-L210 HydrophobicContact CD1-CD2 4.05Å; Y205-L210 HydrophobicContact CD1-CG 4.26Å; Y205-L210 HydrophobicContact CE1-CD2 3.93Å; Y205-L210 HydrophobicContact CE1-CG 4.14Å; V206-L210 HydrophobicContact CB-CD1 4.28Å; V206-L210 HydrophobicContact CG1-CD1 4.36Å; V206-L210 HydrophobicContact CG2-CD1 3.91Å; V206-L210 WeakPolarHBondContact O-CB 3.45Å; L210-T214 HydrophobicContact CB-CG2 4.41Å; L210-T214 HydrophobicContact CD1-CG2 3.81Å
211	P	97.2	Very high	97.2	Very high	58 Å²	58	77.4 Å²	77.4	38%	0.377	38%	0.376	S	S	.	.			trans	-57.7	149.7	175.2	-25.1	35.2	0	0	0	111.9	L175 T213 T214	L175-P211 HydrophobicContact CD1-CG 4.27Å; L175-P211 HydrophobicContact CD2-CG 3.86Å; P211-T213 PolarHBondContact O-N 3.18Å; P211-T214 WeakPolarHBondContact O-CB 3.45Å; P211-T214 PolarHBondContact O-N 3.13Å; P211-T214 PolarHBondContact O-OG1 2.92Å
212	K	96.1	Very high	97.2	Very high	215 Å²	215	75.7 Å²	75.7	94%	0.935	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.7	177.4	-66	-176.1	179.6	178.3	0	114	T214	K212-T214 PolarHBondContact O-N 2.78Å
213	T	96.5	Very high	97.1	Very high	66 Å²	66	77.7 Å²	77.7	41%	0.405	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.1	173.4	52.2	0	0	0	0	112.8	E185 I186 P211	E185-T213 VanDerWaalsContact CA-O 3.29Å; E185-T213 WeakPolarHBondContact CA-O 3.39Å; E185-T213 WeakPolarHBondContact CB-O 3.19Å; I186-T213 PolarHBondContact N-O 2.88Å; I186-T213 VanDerWaalsContact N-O 3.13Å; P211-T213 PolarHBondContact O-N 3.18Å
214	T	98.4	Very high	96.9	Very high	11 Å²	11	75.5 Å²	75.5	7%	0.067	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123.4	171.9	-51.8	0	0	0	0	110.3	I186 L188 V206 L210 P211 K212	I186-T214 HydrophobicContact CB-CG2 4.14Å; I186-T214 HydrophobicContact CG2-CG2 4.28Å; I186-T214 CarbonylContact O-C 3.56Å; I186-T214 VanDerWaalsContact O-CA 3.31Å; I186-T214 WeakPolarHBondContact O-CA 3.3Å; L188-T214 HydrophobicContact CD1-CG2 4.21Å; L188-T214 HydrophobicContact CG-CG2 4.27Å; V206-T214 HydrophobicContact CG1-CG2 4.12Å; L210-T214 HydrophobicContact CB-CG2 4.41Å; L210-T214 HydrophobicContact CD1-CG2 3.81Å; P211-T214 WeakPolarHBondContact O-CB 3.45Å; P211-T214 PolarHBondContact O-N 3.13Å; P211-T214 PolarHBondContact O-OG1 2.92Å; K212-T214 PolarHBondContact O-N 2.78Å
215	K	98.1	Very high	96.8	Very high	84 Å²	84	72.1 Å²	72.1	37%	0.365	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.9	-178.5	-63.3	174.6	-178.7	167.2	0	109.8	E185 I186 L188	E185-K215 WeakPolarHBondContact OE2-CD 3.48Å; E185-K215 WeakPolarHBondContact OE2-CE 3.06Å; E185-K215 IonicContact OE2-NZ 2.86Å; E185-K215 PolarHBondContact OE2-NZ 3.21Å; I186-K215 PolarHBondContact O-N 2.7Å; L188-K215 PolarHBondContact N-O 3.3Å
216	L	98.6	Very high	96.6	Very high	45 Å²	45	69.9 Å²	69.9	24%	0.236	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.7	172.1	179.4	60.7	0	0	0	109.5	F159 L188 L202 V206 R218	F159-L216 HydrophobicContact CE1-CD1 4.13Å; F159-L216 HydrophobicContact CZ-CD1 4.05Å; L188-L216 HydrophobicContact CB-CD1 3.82Å; L202-L216 HydrophobicContact CD2-CD1 4.31Å; L202-L216 HydrophobicContact CD2-CD2 4.43Å; L202-L216 HydrophobicContact CG-CD2 4.28Å; V206-L216 HydrophobicContact CG1-CB 4.4Å; V206-L216 HydrophobicContact CG2-CD2 4.47Å; L216-R218 HydrophobicContact CG-CG 4.4Å
217	V	98.4	Very high	96.6	Very high	21 Å²	21	72 Å²	72	13%	0.127	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.4	176.3	-179.1	0	0	0	0	107.9	I187 L188 V189 D190 I231 H235	I187-V217 HydrophobicContact CG2-CG2 3.98Å; L188-V217 PolarHBondContact O-N 2.87Å; V189-V217 WeakPolarHBondContact CA-O 3.34Å; D190-V217 PolarHBondContact N-O 3.05Å; V217-I231 HydrophobicContact CG1-CG2 3.93Å; V217-H235 HydrophobicContact CG2-CB 4.39Å
218	R	98.1	Very high	96.6	Very high	79 Å²	79	63.3 Å²	63.3	30%	0.298	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.1	-179.9	-60.5	-168.4	176	-92.3	1.9	110.5	D190 L198 K199 S203 L216	D190-R218 HydrophobicContact CB-CB 4.45Å; D190-R218 HydrophobicContact CB-CG 4.05Å; D190-R218 IonicContact OD2-CZ 3.75Å; D190-R218 IonicContact OD2-NH1 2.65Å; D190-R218 PolarHBondContact OD2-NH1 3.13Å; L198-R218 VanDerWaalsContact O-CZ 3.29Å; L198-R218 PolarHBondContact O-NH1 2.65Å; L198-R218 PolarHBondContact O-NH2 3.24Å; K199-R218 PolarHBondContact O-NH2 2.7Å; S203-R218 PolarHBondContact OG-NH2 2.68Å; L216-R218 HydrophobicContact CG-CG 4.4Å
219	N	97.2	Very high	96.6	Very high	15 Å²	15	59.5 Å²	59.5	8%	0.08	28%	0.278	C	S	.	.			trans	-77	144.9	174.5	-64	-10.1	0	0	0	110.4	D190 D191 K221 E223 I231	D190-N219 PolarHBondContact O-N 3.26Å; D191-N219 PolarHBondContact OD1-ND2 3.36Å; N219-K221 VanDerWaalsContact C-N 3.31Å; N219-K221 VanDerWaalsContact CB-O 3.25Å; N219-K221 WeakPolarHBondContact CB-O 3.46Å; N219-E223 HydrophobicContact CB-CG 4.36Å; N219-I231 WeakPolarHBondContact OD1-CD1 3.18Å
220	E	95.5	Very high	96.7	Very high	199 Å²	199	54.7 Å²	54.7	93%	0.93	26%	0.256	S	S	*	.	S	Bend	trans	-74.4	-24.4	176.6	-62.5	-176.8	169.1	0	0	112.6
221	K	95.1	Very high	96.7	Very high	125 Å²	125	56 Å²	56	54%	0.543	26%	0.263	S	S	.	.	S	Bend	trans	-140	166.9	177.3	66.6	-179.3	-179.5	-179.3	0	109.9	N192 N219 E223	N192-K221 VanDerWaalsContact CB-C 3.47Å; N219-K221 VanDerWaalsContact C-N 3.31Å; N219-K221 VanDerWaalsContact CB-O 3.25Å; N219-K221 WeakPolarHBondContact CB-O 3.46Å; K221-E223 WeakPolarHBondContact CE-OE1 3.49Å; K221-E223 HydrophobicContact CG-CG 4.29Å; K221-E223 IonicContact NZ-OE1 2.66Å; K221-E223 PolarHBondContact O-N 2.75Å
222	R	94.4	Very high	96.7	Very high	57 Å²	57	53.2 Å²	53.2	22%	0.215	25%	0.245	C	C	.	.			trans	-75.1	105.3	174.6	-172.1	177.1	178.8	-139.8	-3.6	109.9	Y160 G387 P389	Y160-R222 HydrophobicContact CE2-CG 4.38Å; R222-G387 PolarHBondContact NH1-O 2.82Å; R222-G387 PolarHBondContact NH2-O 2.68Å; R222-P389 VanDerWaalsContact NH1-CD 3.25Å
223	E	94.9	Very high	96.9	Very high	41 Å²	41	43.2 Å²	43.2	19%	0.192	20%	0.202	C	C	.	.			trans	-90.6	-27.5	-176	-68.3	-71	-176.7	0	0	112.5	D191 N219 K221 R227 I231	D191-E223 WeakPolarHBondContact OD1-CA 3.2Å; D191-E223 WeakPolarHBondContact OD1-CB 3.26Å; D191-E223 PolarHBondContact OD1-N 3.04Å; N219-E223 HydrophobicContact CB-CG 4.36Å; K221-E223 WeakPolarHBondContact CE-OE1 3.49Å; K221-E223 HydrophobicContact CG-CG 4.29Å; K221-E223 IonicContact NZ-OE1 2.66Å; K221-E223 PolarHBondContact O-N 2.75Å; E223-R227 HydrophobicContact CB-CB 3.75Å; E223-R227 PolarHBondContact O-NH1 2.97Å; E223-R227 WeakPolarHBondContact OE2-CD 3.48Å; E223-I231 HydrophobicContact CG-CD1 4.07Å
224	G	94.1	Very high	96.9	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.01	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	97.8	167.2	-174	0	0	0	0	0	113.9	D191 I226 G228	D191-G224 PolarHBondContact OD1-N 3Å; D191-G224 WeakPolarHBondContact OD2-CA 3.35Å; D191-G224 PolarHBondContact OD2-N 3.3Å; G224-I226 VanDerWaalsContact C-N 3.28Å; G224-I226 PolarHBondContact O-N 2.84Å; G224-G228 WeakPolarHBondContact O-CA 3.46Å; G224-G228 PolarHBondContact O-N 3.05Å
225	L	93.9	Very high	96.9	Very high	37 Å²	37	48 Å²	48	19%	0.194	23%	0.228	C	C	.	.	H	α-helix	trans	-55.9	-43.8	-179.7	179	64	0	0	0	111.9	C158 G228 R229 I349	C158-L225 HydrophobicContact CB-CD1 4.21Å; L225-G228 PolarHBondContact O-N 2.83Å; L225-R229 HydrophobicContact CD1-CG 4.4Å; L225-R229 VanDerWaalsContact O-CG 3.32Å; L225-R229 WeakPolarHBondContact O-CG 3.45Å; L225-R229 PolarHBondContact O-N 2.95Å; L225-I349 VanDerWaalsContact CB-O 3.31Å; L225-I349 WeakPolarHBondContact CB-O 3.4Å; L225-I349 PolarHBondContact N-O 3.26Å
226	I	95.3	Very high	97	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-64.7	-53.4	-172.6	-54	173.8	0	0	0	110.5	G224 R229 M230 Y343 M347 E353	G224-I226 VanDerWaalsContact C-N 3.28Å; G224-I226 PolarHBondContact O-N 2.84Å; I226-R229 PolarHBondContact O-N 3.02Å; I226-M230 PolarHBondContact O-N 3.38Å; I226-Y343 VanDerWaalsContact CG2-CB 3.45Å; I226-Y343 HydrophobicContact CG2-CD1 4.31Å; I226-Y343 HydrophobicContact CG2-CD2 4.37Å; I226-Y343 HydrophobicContact CG2-CG 3.83Å; I226-M347 HydrophobicContact CD1-CB 3.32Å; I226-M347 HydrophobicContact CD1-CG 4.35Å; I226-M347 HydrophobicContact CD1-SD 4.2Å; I226-M347 HydrophobicContact CG2-CB 4.49Å; I226-E353 HydrophobicContact CD1-CB 3.75Å; I226-E353 HydrophobicContact CD1-CG 4.32Å; I226-E353 HydrophobicContact CG1-CB 3.86Å; I226-E353 HydrophobicContact CG1-CG 3.97Å
227	R	96.8	Very high	97	Very high	56 Å²	56	45.8 Å²	45.8	21%	0.211	23%	0.225	C	C	.	.	H	α-helix	trans	-70.8	-37.6	178.3	-68.3	-179.6	-166.4	111.5	1.4	111.5	E223 R229 M230 I231 S345 M347 D348	E223-R227 HydrophobicContact CB-CB 3.75Å; E223-R227 PolarHBondContact O-NH1 2.97Å; E223-R227 WeakPolarHBondContact OE2-CD 3.48Å; R227-R229 VanDerWaalsContact C-N 3.28Å; R227-R229 PolarHBondContact O-N 3.24Å; R227-M230 HydrophobicContact CB-CE 4.22Å; R227-M230 HydrophobicContact CG-CE 3.79Å; R227-M230 PolarHBondContact O-N 3.09Å; R227-M230 VanDerWaalsContact O-N 3.11Å; R227-I231 VanDerWaalsContact O-CG1 3.3Å; R227-I231 WeakPolarHBondContact O-CG1 3.34Å; R227-I231 PolarHBondContact O-N 3.34Å; R227-S345 VanDerWaalsContact CZ-O 3.29Å; R227-S345 PolarHBondContact NE-O 3.49Å; R227-S345 PolarHBondContact NH2-O 2.83Å; R227-M347 PolarHBondContact NH2-O 3.33Å; R227-M347 VanDerWaalsContact NH2-O 3.16Å; R227-D348 IonicContact CZ-OD1 2.65Å; R227-D348 IonicContact NH1-OD1 3.02Å; R227-D348 PolarHBondContact NH1-OD1 3.46Å; R227-D348 VanDerWaalsContact NH1-OD1 3.14Å; R227-D348 IonicContact NH2-OD1 2.91Å; R227-D348 PolarHBondContact NH2-OD1 3.46Å
228	G	97.3	Very high	96.9	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-55	-41.7	172.3	0	0	0	0	0	112.7	G224 L225 I231 G232	G224-G228 WeakPolarHBondContact O-CA 3.46Å; G224-G228 PolarHBondContact O-N 3.05Å; L225-G228 PolarHBondContact O-N 2.83Å; G228-I231 PolarHBondContact O-N 2.95Å; G228-G232 PolarHBondContact O-N 2.96Å
229	R	98	Very high	97	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.015	23%	0.228	C	C	.	.	H	α-helix	trans	-67.6	-39.3	175	-75.5	178.7	178.4	-173.7	-2.7	113.2	C158 L225 I226 R227 I231 G232 A233 F243 D245 G327 G328 Y343	C158-R229 VanDerWaalsContact SG-CG 3.59Å; C158-R229 PolarHBondContact SG-N 2.82Å; L225-R229 HydrophobicContact CD1-CG 4.4Å; L225-R229 VanDerWaalsContact O-CG 3.32Å; L225-R229 WeakPolarHBondContact O-CG 3.45Å; L225-R229 PolarHBondContact O-N 2.95Å; I226-R229 PolarHBondContact O-N 3.02Å; R227-R229 VanDerWaalsContact C-N 3.28Å; R227-R229 PolarHBondContact O-N 3.24Å; R229-I231 VanDerWaalsContact C-N 3.34Å; R229-G232 PolarHBondContact O-N 3.15Å; R229-A233 WeakPolarHBondContact O-CB 3.29Å; R229-A233 PolarHBondContact O-N 3.28Å; R229-F243 HydrophobicContact CB-CD1 4.08Å; R229-F243 HydrophobicContact CB-CE1 3.76Å; R229-F243 HydrophobicContact CG-CD1 3.81Å; R229-F243 HydrophobicContact CG-CE1 4.03Å; R229-D245 IonicContact NH2-OD1 2.64Å; R229-D245 PolarHBondContact NH2-OD1 2.88Å; R229-G327 VanDerWaalsContact CZ-O 3.26Å; R229-G327 PolarHBondContact NH1-O 2.81Å; R229-G327 PolarHBondContact NH2-O 3.09Å; R229-G328 VanDerWaalsContact NH2-CA 3.3Å; R229-G328 PolarHBondContact NH2-O 2.78Å; R229-Y343 HydrophobicContact CB-CD2 4.45Å; R229-Y343 HydrophobicContact CB-CE2 4.09Å; R229-Y343 PolarHBondContact NH1-OH 3.27Å; R229-Y343 VanDerWaalsContact NH1-OH 3.12Å
230	M	98.2	Very high	97	Very high	19 Å²	19	45.7 Å²	45.7	9%	0.094	22%	0.224	C	C	.	.	H	α-helix	trans	-65.5	-38	174.8	-66.9	-172.2	-67.5	0	0	112	I226 R227 A233 S234 F337 Q342 Y343	I226-M230 PolarHBondContact O-N 3.38Å; R227-M230 HydrophobicContact CB-CE 4.22Å; R227-M230 HydrophobicContact CG-CE 3.79Å; R227-M230 PolarHBondContact O-N 3.09Å; R227-M230 VanDerWaalsContact O-N 3.11Å; M230-A233 PolarHBondContact O-N 3.27Å; M230-S234 PolarHBondContact O-N 3Å; M230-F337 HydrophobicContact CG-CZ 4.42Å; M230-Q342 HydrophobicContact CG-CB 4.13Å; M230-Q342 HydrophobicContact SD-CB 3.93Å; M230-Y343 HydrophobicContact CG-CD2 4.14Å
231	I	98.4	Very high	97.2	Very high	41 Å²	41	36.2 Å²	36.2	21%	0.21	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-47.4	172.9	-67	165.5	0	0	0	109.9	V189 V217 N219 E223 R227 G228 R229 A233 S234 H235	V189-I231 HydrophobicContact CG1-CG2 4.37Å; V217-I231 HydrophobicContact CG1-CG2 3.93Å; N219-I231 WeakPolarHBondContact OD1-CD1 3.18Å; E223-I231 HydrophobicContact CG-CD1 4.07Å; R227-I231 VanDerWaalsContact O-CG1 3.3Å; R227-I231 WeakPolarHBondContact O-CG1 3.34Å; R227-I231 PolarHBondContact O-N 3.34Å; G228-I231 PolarHBondContact O-N 2.95Å; R229-I231 VanDerWaalsContact C-N 3.34Å; I231-A233 VanDerWaalsContact C-N 3.29Å; I231-A233 PolarHBondContact O-N 3.42Å; I231-S234 PolarHBondContact O-N 2.94Å; I231-S234 PolarHBondContact O-OG 3.45Å; I231-H235 PolarHBondContact O-CD2 3.24Å; I231-H235 VanDerWaalsContact O-CD2 3.27Å; I231-H235 PolarHBondContact O-N 3.45Å
232	G	98.4	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.6	-42.4	174.5	0	0	0	0	0	112.7	G228 R229 S234 H235 A236	G228-G232 PolarHBondContact O-N 2.96Å; R229-G232 PolarHBondContact O-N 3.15Å; G232-S234 PolarHBondContact O-N 3.42Å; G232-H235 PolarHBondContact O-N 3.19Å; G232-A236 PolarHBondContact O-N 2.87Å
233	A	98.5	Very high	97.6	Very high	5 Å²	5	27.7 Å²	27.7	4%	0.041	14%	0.144	C	C	.	.	H	α-helix	trans	-66.7	-32.9	178.1	0	0	0	0	0	113.3	I156 R229 M230 I231 H235 A236 L241 F243 F337	I156-A233 HydrophobicContact CD1-CB 4.19Å; R229-A233 WeakPolarHBondContact O-CB 3.29Å; R229-A233 PolarHBondContact O-N 3.28Å; M230-A233 PolarHBondContact O-N 3.27Å; I231-A233 VanDerWaalsContact C-N 3.29Å; I231-A233 PolarHBondContact O-N 3.42Å; A233-H235 VanDerWaalsContact C-N 3.32Å; A233-A236 WeakPolarHBondContact O-CB 3.32Å; A233-A236 PolarHBondContact O-N 3.5Å; A233-L241 HydrophobicContact CB-CD1 3.81Å; A233-F243 HydrophobicContact CB-CZ 4.28Å; A233-F337 HydrophobicContact CB-CD1 4.06Å; A233-F337 HydrophobicContact CB-CE1 3.59Å
234	S	98.3	Very high	97.8	Very high	85 Å²	85	25.9 Å²	25.9	59%	0.594	14%	0.136	S	C	*	.	H	α-helix	trans	-72.2	-26.8	177.1	73.7	0	0	0	0	112.7	M230 I231 G232	M230-S234 PolarHBondContact O-N 3Å; I231-S234 PolarHBondContact O-N 2.94Å; I231-S234 PolarHBondContact O-OG 3.45Å; G232-S234 PolarHBondContact O-N 3.42Å
235	H	98.4	Very high	98	Very high	92 Å²	92	27.1 Å²	27.1	43%	0.426	14%	0.142	S	C	.	.	H	α-helix	trans	-83.7	-12.6	172.9	-77.2	-78.5	0	0	0	113.8	I187 V217 I231 G232 A233	I187-H235 HydrophobicContact CD1-CB 4.16Å; I187-H235 HydrophobicContact CG2-CB 4.46Å; V217-H235 HydrophobicContact CG2-CB 4.39Å; I231-H235 PolarHBondContact O-CD2 3.24Å; I231-H235 VanDerWaalsContact O-CD2 3.27Å; I231-H235 PolarHBondContact O-N 3.45Å; G232-H235 PolarHBondContact O-N 3.19Å; A233-H235 VanDerWaalsContact C-N 3.32Å
236	A	98.6	Very high	98.2	Very high	6 Å²	6	25.7 Å²	25.7	5%	0.05	14%	0.136	C	C	.	.			trans	-78.9	135.8	-177.8	0	0	0	0	0	112.9	I156 I187 G232 A233 L241 R334	I156-A236 HydrophobicContact CD1-CB 4.25Å; I187-A236 VanDerWaalsContact CD1-CA 3.47Å; I187-A236 HydrophobicContact CD1-CB 3.74Å; G232-A236 PolarHBondContact O-N 2.87Å; A233-A236 WeakPolarHBondContact O-CB 3.32Å; A233-A236 PolarHBondContact O-N 3.5Å; A236-L241 HydrophobicContact CB-CD2 3.47Å; A236-L241 VanDerWaalsContact CB-CD2 3.47Å; A236-R334 WeakPolarHBondContact O-CD 3.13Å
237	T	98.4	Very high	98.3	Very high	77 Å²	77	27 Å²	27	47%	0.472	14%	0.141	S	C	.	.			trans	-117.5	-5.8	-179.7	56.1	0	0	0	0	113.1	H184 E185	H184-T237 PolarHBondContact CD2-OG1 3.37Å; H184-T237 PolarHBondContact NE2-OG1 2.94Å; E185-T237 PolarHBondContact OE1-N 3.4Å; E185-T237 PolarHBondContact OE1-OG1 3.5Å
238	G	97.9	Very high	98.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-62.5	157.5	172.9	0	0	0	0	0	112.9	S154 H184 R334	S154-G238 WeakPolarHBondContact OG-CA 3.27Å; S154-G238 PolarHBondContact OG-N 3.47Å; H184-G238 PolarHBondContact CD2-N 3.01Å; G238-R334 WeakPolarHBondContact O-CD 3.41Å; G238-R334 PolarHBondContact O-NE 3.16Å
239	K	98.5	Very high	98.5	Very high	113 Å²	113	24.5 Å²	24.5	49%	0.491	13%	0.132	S	C	.	.	S	Bend	trans	-72.3	-38.6	174.7	-176.2	166.6	176.5	-177.6	0	111.2	P151 F152 R334	P151-K239 HydrophobicContact CB-CB 4.15Å; P151-K239 HydrophobicContact CB-CD 3.88Å; P151-K239 HydrophobicContact CB-CG 4.14Å; F152-K239 HydrophobicContact CE2-CB 4.22Å; F152-K239 VanDerWaalsContact CE2-N 3.32Å; F152-K239 HydrophobicContact CZ-CB 4.24Å; F152-K239 PolarHBondContact O-N 3.41Å; F152-K239 VanDerWaalsContact O-N 3.09Å; K239-R334 WeakPolarHBondContact O-CB 3.3Å; K239-R334 PolarHBondContact O-N 2.93Å
240	V	98.9	Very high	98.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.9	175.9	176.7	0	0	0	0	110.3	P151 F152 A153 S154 V242 L259 I262 A331 M332	P151-V240 HydrophobicContact CB-CG2 4.02Å; P151-V240 HydrophobicContact CG-CG2 3.72Å; F152-V240 PolarHBondContact O-N 3.44Å; A153-V240 CarbonylContact C-O 3.6Å; A153-V240 VanDerWaalsContact CA-O 3.3Å; A153-V240 WeakPolarHBondContact CA-O 3.34Å; A153-V240 HydrophobicContact CB-CB 4.25Å; S154-V240 PolarHBondContact N-O 3.19Å; V240-V242 HydrophobicContact CG1-CG2 4.1Å; V240-L259 HydrophobicContact CB-CD2 3.91Å; V240-L259 HydrophobicContact CG1-CD2 3.78Å; V240-L259 HydrophobicContact CG2-CD2 3.91Å; V240-I262 HydrophobicContact CG1-CD1 3.68Å; V240-I262 HydrophobicContact CG2-CD1 4.34Å; V240-I262 HydrophobicContact CG2-CG2 3.89Å; V240-A331 HydrophobicContact CG1-CB 4.09Å; V240-M332 WeakPolarHBondContact CG1-O 3.35Å
241	L	98.9	Very high	98.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.6	167.2	-56.3	-178.4	0	0	0	108.8	I156 A233 A236 F243 A331 M332 R334 F337	I156-L241 HydrophobicContact CD1-CB 4.45Å; I156-L241 HydrophobicContact CD1-CD2 4.01Å; A233-L241 HydrophobicContact CB-CD1 3.81Å; A236-L241 HydrophobicContact CB-CD2 3.47Å; A236-L241 VanDerWaalsContact CB-CD2 3.47Å; L241-F243 HydrophobicContact CB-CE2 3.87Å; L241-F243 HydrophobicContact CB-CZ 4.24Å; L241-F243 HydrophobicContact CD1-CE2 4.22Å; L241-F243 HydrophobicContact CD1-CZ 4.03Å; L241-A331 CarbonylContact O-C 3.55Å; L241-A331 WeakPolarHBondContact O-CA 3.43Å; L241-M332 PolarHBondContact N-O 3.48Å; L241-M332 PolarHBondContact O-N 3.27Å; L241-R334 HydrophobicContact CD1-CB 4.31Å; L241-R334 HydrophobicContact CD1-CG 4.13Å; L241-R334 HydrophobicContact CD2-CB 4Å; L241-R334 HydrophobicContact CD2-CG 3.81Å; L241-R334 HydrophobicContact CG-CB 3.81Å; L241-R334 HydrophobicContact CG-CG 3.97Å; L241-F337 HydrophobicContact CD1-CB 4Å; L241-F337 HydrophobicContact CD1-CD1 3.66Å; L241-F337 HydrophobicContact CD1-CE1 4.34Å; L241-F337 HydrophobicContact CD1-CG 3.93Å
242	V	98.9	Very high	98.3	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	113.1	173.2	-174.5	0	0	0	0	108.4	A153 S154 V155 I156 V240 W254 L255 A331	A153-V242 HydrophobicContact CB-CG2 3.83Å; S154-V242 PolarHBondContact O-N 3.02Å; V155-V242 CarbonylContact C-O 3.59Å; V155-V242 WeakPolarHBondContact CA-O 3.4Å; V155-V242 HydrophobicContact CG2-CB 4.24Å; I156-V242 PolarHBondContact N-O 2.81Å; V240-V242 HydrophobicContact CG1-CG2 4.1Å; V242-W254 HydrophobicContact CG1-CH2 3.62Å; V242-W254 HydrophobicContact CG1-CZ3 3.82Å; V242-L255 HydrophobicContact CG2-CD1 3.95Å; V242-A331 HydrophobicContact CB-CB 4.44Å; V242-A331 HydrophobicContact CG1-CB 4.39Å; V242-A331 HydrophobicContact CG2-CB 3.85Å
243	F	98.9	Very high	98.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	131.3	177.6	-62.2	-83.7	0	0	0	109.6	I156 R229 A233 L241 L329 F330 F337	I156-F243 HydrophobicContact CB-CD1 3.91Å; I156-F243 HydrophobicContact CB-CE1 4.12Å; I156-F243 HydrophobicContact CD1-CD1 4.19Å; I156-F243 HydrophobicContact CD1-CE1 3.59Å; I156-F243 HydrophobicContact CD1-CZ 3.97Å; I156-F243 HydrophobicContact CG1-CE1 4.48Å; I156-F243 HydrophobicContact CG2-CD1 4.02Å; I156-F243 HydrophobicContact CG2-CE1 4.09Å; R229-F243 HydrophobicContact CB-CD1 4.08Å; R229-F243 HydrophobicContact CB-CE1 3.76Å; R229-F243 HydrophobicContact CG-CD1 3.81Å; R229-F243 HydrophobicContact CG-CE1 4.03Å; A233-F243 HydrophobicContact CB-CZ 4.28Å; L241-F243 HydrophobicContact CB-CE2 3.87Å; L241-F243 HydrophobicContact CB-CZ 4.24Å; L241-F243 HydrophobicContact CD1-CE2 4.22Å; L241-F243 HydrophobicContact CD1-CZ 4.03Å; F243-L329 WeakPolarHBondContact O-CA 3.48Å; F243-F330 HydrophobicContact CB-CD1 4.11Å; F243-F330 HydrophobicContact CB-CE1 3.86Å; F243-F330 HydrophobicContact CB-CZ 4.38Å; F243-F330 HydrophobicContact CD2-CD1 4.16Å; F243-F330 HydrophobicContact CD2-CD2 4.09Å; F243-F330 AromaticContact CD2-CE1 3.54Å; F243-F330 HydrophobicContact CD2-CE1 3.54Å; F243-F330 AromaticContact CD2-CE2 3.46Å; F243-F330 HydrophobicContact CD2-CE2 3.46Å; F243-F330 VanDerWaalsContact CD2-CE2 3.46Å; F243-F330 HydrophobicContact CD2-CG 4.41Å; F243-F330 AromaticContact CD2-CZ 3.15Å; F243-F330 HydrophobicContact CD2-CZ 3.15Å; F243-F330 HydrophobicContact CE2-CE1 4.31Å; F243-F330 AromaticContact CE2-CE2 3.71Å; F243-F330 HydrophobicContact CE2-CE2 3.71Å; F243-F330 AromaticContact CE2-CZ 3.51Å; F243-F330 HydrophobicContact CE2-CZ 3.51Å; F243-F330 HydrophobicContact CG-CD1 4.5Å; F243-F330 AromaticContact CG-CE1 3.87Å; F243-F330 HydrophobicContact CG-CE1 3.87Å; F243-F330 AromaticContact CG-CZ 3.91Å; F243-F330 HydrophobicContact CG-CZ 3.91Å; F243-F330 HydrophobicContact CZ-CZ 4.49Å; F243-F330 PolarHBondContact N-O 3.35Å; F243-F330 PolarHBondContact O-N 2.63Å; F243-F337 HydrophobicContact CZ-CZ 4.41Å
244	L	98.8	Very high	98.1	Very high	3 Å²	3	28 Å²	28	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.5	171.8	-65.6	178.6	0	0	0	109.7	V155 I156 I157 V174 V250 W254 L329 V376	V155-L244 HydrophobicContact CG1-CD1 3.79Å; V155-L244 HydrophobicContact CG1-CG 4.22Å; I156-L244 PolarHBondContact O-N 2.96Å; I157-L244 HydrophobicContact CG1-CB 4.25Å; V174-L244 HydrophobicContact CG2-CD1 3.61Å; L244-V250 HydrophobicContact CD1-CG1 4.05Å; L244-W254 HydrophobicContact CD1-CH2 3.84Å; L244-W254 HydrophobicContact CD1-CZ2 4.47Å; L244-W254 HydrophobicContact CD1-CZ3 4.4Å; L244-W254 HydrophobicContact CD2-CH2 4.29Å; L244-W254 HydrophobicContact CD2-CZ3 4.06Å; L244-W254 HydrophobicContact CG-CH2 4.34Å; L244-L329 HydrophobicContact CD2-CB 4.31Å; L244-L329 HydrophobicContact CD2-CD2 3.81Å; L244-L329 HydrophobicContact CD2-CG 3.92Å; L244-V376 HydrophobicContact CD2-CG1 4.32Å
245	D	98.1	Very high	98.1	Very high	28 Å²	28	23.9 Å²	23.9	15%	0.15	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	156	168	-67.6	-23.9	0	0	0	109.9	R229 H247 C248 G328 H378	R229-D245 IonicContact NH2-OD1 2.64Å; R229-D245 PolarHBondContact NH2-OD1 2.88Å; D245-H247 PolarHBondContact O-N 2.92Å; D245-C248 PolarHBondContact O-SG 2.84Å; D245-G328 WeakPolarHBondContact OD2-CA 3.43Å; D245-H378 IonicContact OD2-CD2 2.91Å; D245-H378 IonicContact OD2-NE2 3.98Å
246	S	97.9	Very high	98.1	Very high	7 Å²	7	20.6 Å²	20.6	5%	0.049	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	10.7	-171	41.2	0	0	0	0	116	C158 F159 E162 A166 L167 T170	C158-S246 PolarHBondContact O-OG 3.31Å; F159-S246 WeakPolarHBondContact CB-OG 3.49Å; E162-S246 PolarHBondContact OE2-OG 3.11Å; A166-S246 CarbonylContact C-O 3.57Å; L167-S246 VanDerWaalsContact CA-O 3.31Å; L167-S246 WeakPolarHBondContact CA-O 3.24Å; L167-S246 PolarHBondContact N-O 2.91Å; T170-S246 PolarHBondContact OG1-O 3.45Å
247	H	98.2	Very high	98.1	Very high	27 Å²	27	20.4 Å²	20.4	13%	0.125	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.2	53.7	-179.9	41.2	-86.5	0	0	0	109.9	E162 A166 T170 D245 H378 I379 R381	E162-H247 IonicContact OE2-CE1 3.96Å; E162-H247 PolarHBondContact OE2-CE1 3.17Å; E162-H247 IonicContact OE2-CG 3.93Å; E162-H247 IonicContact OE2-ND1 3.45Å; E162-H247 PolarHBondContact OE2-ND1 3.14Å; A166-H247 HydrophobicContact CB-CB 4.24Å; T170-H247 WeakPolarHBondContact OG1-CA 3.11Å; T170-H247 PolarHBondContact OG1-N 2.79Å; D245-H247 PolarHBondContact O-N 2.92Å; H247-H378 AromaticContact CD2-CD2 3.89Å; H247-H378 AromaticContact CD2-CE1 3.89Å; H247-H378 AromaticContact CD2-NE2 3.41Å; H247-H378 PolarHBondContact CD2-NE2 2.76Å; H247-H378 AromaticContact NE2-CE1 3.81Å; H247-H378 AromaticContact NE2-NE2 3.27Å; H247-H378 PolarHBondContact NE2-NE2 2.89Å; H247-I379 HydrophobicContact CB-CB 4.21Å; H247-I379 HydrophobicContact CB-CD1 3.99Å; H247-I379 HydrophobicContact CB-CG1 4.19Å; H247-I379 PolarHBondContact O-N 3.38Å; H247-I379 VanDerWaalsContact O-N 3.09Å; H247-R381 PolarHBondContact CE1-NH2 3.3Å; H247-R381 VanDerWaalsContact CE1-NH2 3.26Å; H247-R381 PolarHBondContact ND1-NH2 2.99Å
248	C	98.6	Very high	98.1	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.007	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	156	-179.9	-61.8	0	0	0	0	111.7	T170 D245 V376 G377	T170-C248 WeakPolarHBondContact CA-O 3.46Å; T170-C248 WeakPolarHBondContact CB-O 3.34Å; T170-C248 HydrophobicContact CG2-CB 4.03Å; T170-C248 WeakPolarHBondContact CG2-O 3.25Å; T170-C248 PolarHBondContact OG1-N 2.93Å; T170-C248 PolarHBondContact OG1-O 2.9Å; T170-C248 VanDerWaalsContact OG1-O 3.07Å; D245-C248 PolarHBondContact O-SG 2.84Å; C248-V376 HydrophobicContact CB-CG1 3.82Å; C248-G377 CarbonylContact C-O 3.5Å; C248-G377 WeakPolarHBondContact CA-O 3.04Å; C248-G377 WeakPolarHBondContact CB-O 3.41Å
249	E	98.7	Very high	98.1	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.019	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	117.2	166.8	-64.6	175.6	-119.8	0	0	110.1	R131 V133 R169 S173 I277 Y284 G377	R131-E249 IonicContact CZ-OE1 2.98Å; R131-E249 IonicContact CZ-OE2 3.44Å; R131-E249 VanDerWaalsContact NE-CD 3.32Å; R131-E249 IonicContact NE-OE1 2.7Å; R131-E249 PolarHBondContact NE-OE1 3.4Å; R131-E249 VanDerWaalsContact NE-OE1 3.16Å; R131-E249 IonicContact NE-OE2 3.19Å; R131-E249 PolarHBondContact NE-OE2 3.1Å; R131-E249 VanDerWaalsContact NH2-CD 3.3Å; R131-E249 IonicContact NH2-OE1 3.97Å; R131-E249 PolarHBondContact NH2-OE1 3.36Å; R131-E249 IonicContact NH2-OE2 2.94Å; R131-E249 PolarHBondContact NH2-OE2 3.13Å; V133-E249 HydrophobicContact CG1-CB 4.48Å; R169-E249 VanDerWaalsContact CD-OE1 3.22Å; R169-E249 WeakPolarHBondContact CD-OE1 3.47Å; R169-E249 HydrophobicContact CG-CG 4.08Å; S173-E249 WeakPolarHBondContact OG-CA 3.27Å; S173-E249 WeakPolarHBondContact OG-CB 3.46Å; E249-I277 HydrophobicContact CB-CD1 3.96Å; E249-I277 HydrophobicContact CG-CD1 4.01Å; E249-Y284 HydrophobicContact CB-CE2 4.45Å; E249-G377 PolarHBondContact N-O 3.19Å; E249-G377 PolarHBondContact O-N 3.19Å
250	V	98.7	Very high	98.1	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.006	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	153.2	-177.1	-56.2	0	0	0	0	110.8	S173 V174 R177 L244 W254 V376	S173-V250 WeakPolarHBondContact O-CG2 3.2Å; S173-V250 PolarHBondContact OG-N 3.17Å; V174-V250 HydrophobicContact CG2-CG1 4.07Å; R177-V250 HydrophobicContact CB-CG2 4.14Å; R177-V250 PolarHBondContact NH1-O 2.91Å; L244-V250 HydrophobicContact CD1-CG1 4.05Å; V250-W254 HydrophobicContact CB-CB 4.29Å; V250-W254 HydrophobicContact CB-CD2 3.67Å; V250-W254 HydrophobicContact CB-CE3 4.34Å; V250-W254 HydrophobicContact CB-CG 3.6Å; V250-W254 HydrophobicContact CB-CZ2 4.45Å; V250-W254 HydrophobicContact CG1-CD2 3.68Å; V250-W254 HydrophobicContact CG1-CE3 3.98Å; V250-W254 HydrophobicContact CG1-CG 4.19Å; V250-W254 HydrophobicContact CG1-CH2 4.07Å; V250-W254 HydrophobicContact CG1-CZ2 3.81Å; V250-W254 HydrophobicContact CG1-CZ3 4.16Å; V250-W254 HydrophobicContact CG2-CD2 4.33Å; V250-W254 HydrophobicContact CG2-CG 4.13Å; V250-V376 HydrophobicContact CB-CG2 4.36Å; V250-V376 HydrophobicContact CG1-CG1 4.01Å; V250-V376 HydrophobicContact CG1-CG2 4.04Å
251	N	97.5	Very high	98.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.			trans	-95.1	178.8	176.1	-146	-61	0	0	0	111.2	P134 D135 T136 M253 W254 Y284 R375	P134-N251 PolarHBondContact O-ND2 3.03Å; D135-N251 WeakPolarHBondContact CA-OD1 3.39Å; T136-N251 PolarHBondContact OG1-ND2 2.79Å; T136-N251 VanDerWaalsContact OG1-ND2 3.08Å; N251-M253 PolarHBondContact O-N 3.18Å; N251-W254 WeakPolarHBondContact O-CB 3.34Å; N251-W254 PolarHBondContact O-N 3.16Å; N251-Y284 PolarHBondContact ND2-OH 2.66Å; N251-Y284 VanDerWaalsContact ND2-OH 3.09Å; N251-R375 HydrophobicContact CB-CB 3.87Å; N251-R375 VanDerWaalsContact CB-O 3.22Å; N251-R375 WeakPolarHBondContact CB-O 3.17Å; N251-R375 PolarHBondContact N-O 2.86Å
252	E	95.1	Very high	98	Very high	77 Å²	77	13.1 Å²	13.1	36%	0.36	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	131.9	174.1	-71.8	-57.9	147	0	0	111.8	R137 R177 W254	R137-E252 WeakPolarHBondContact CD-O 3.5Å; R137-E252 VanDerWaalsContact CZ-O 3.28Å; R137-E252 PolarHBondContact NE-O 2.03Å; R137-E252 PolarHBondContact NH1-O 3.41Å; R137-E252 VanDerWaalsContact NH1-O 3.16Å; R177-E252 WeakPolarHBondContact CD-OE1 3.28Å; E252-W254 PolarHBondContact O-N 2.99Å; E252-W254 VanDerWaalsContact O-N 3.14Å
253	M	95.3	Very high	98	Very high	63 Å²	63	18.3 Å²	18.3	31%	0.31	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	38	177.8	-159	-175	-70.4	0	0	113	Y146 N251 L255 Q256 P257	Y146-M253 HydrophobicContact CD2-SD 3.73Å; Y146-M253 HydrophobicContact CE2-CG 4.31Å; Y146-M253 HydrophobicContact CE2-SD 3.42Å; Y146-M253 WeakPolarHBondContact CE2-SD 3.01Å; N251-M253 PolarHBondContact O-N 3.18Å; M253-L255 VanDerWaalsContact C-N 3.34Å; M253-L255 PolarHBondContact O-N 3.12Å; M253-Q256 HydrophobicContact CG-CB 4.27Å; M253-Q256 HydrophobicContact CG-CG 4.28Å; M253-P257 WeakPolarHBondContact O-CD 3.36Å; M253-P257 VanDerWaalsContact O-CG 3.24Å; M253-P257 WeakPolarHBondContact O-CG 3.49Å
254	W	98.1	Very high	97.9	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	12%	0.12	C	C	.	.			trans	-68.8	-30.2	-177	74.8	-73.4	0	0	0	113.3	V174 T178 V242 L244 V250 N251 E252 L258 S374 V376	V174-W254 HydrophobicContact CG2-CZ2 4.43Å; T178-W254 PolarHBondContact OG1-NE1 2.86Å; T178-W254 VanDerWaalsContact OG1-NE1 3.08Å; V242-W254 HydrophobicContact CG1-CH2 3.62Å; V242-W254 HydrophobicContact CG1-CZ3 3.82Å; L244-W254 HydrophobicContact CD1-CH2 3.84Å; L244-W254 HydrophobicContact CD1-CZ2 4.47Å; L244-W254 HydrophobicContact CD1-CZ3 4.4Å; L244-W254 HydrophobicContact CD2-CH2 4.29Å; L244-W254 HydrophobicContact CD2-CZ3 4.06Å; L244-W254 HydrophobicContact CG-CH2 4.34Å; V250-W254 HydrophobicContact CB-CB 4.29Å; V250-W254 HydrophobicContact CB-CD2 3.67Å; V250-W254 HydrophobicContact CB-CE3 4.34Å; V250-W254 HydrophobicContact CB-CG 3.6Å; V250-W254 HydrophobicContact CB-CZ2 4.45Å; V250-W254 HydrophobicContact CG1-CD2 3.68Å; V250-W254 HydrophobicContact CG1-CE3 3.98Å; V250-W254 HydrophobicContact CG1-CG 4.19Å; V250-W254 HydrophobicContact CG1-CH2 4.07Å; V250-W254 HydrophobicContact CG1-CZ2 3.81Å; V250-W254 HydrophobicContact CG1-CZ3 4.16Å; V250-W254 HydrophobicContact CG2-CD2 4.33Å; V250-W254 HydrophobicContact CG2-CG 4.13Å; N251-W254 WeakPolarHBondContact O-CB 3.34Å; N251-W254 PolarHBondContact O-N 3.16Å; E252-W254 PolarHBondContact O-N 2.99Å; E252-W254 VanDerWaalsContact O-N 3.14Å; W254-L258 HydrophobicContact CE3-CD1 3.89Å; W254-L258 HydrophobicContact CZ3-CD1 4Å; W254-L258 WeakPolarHBondContact O-CG 3.29Å; W254-S374 WeakPolarHBondContact O-CB 3.34Å; W254-S374 PolarHBondContact O-OG 3.23Å; W254-V376 HydrophobicContact CD2-CG2 4.37Å; W254-V376 HydrophobicContact CE3-CG2 3.65Å; W254-V376 HydrophobicContact CZ3-CG2 4.18Å
255	L	98.5	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-86.4	-42.9	-168.6	-175.5	60	0	0	0	113	A153 T178 L182 V242 M253 P257 L258 L259	A153-L255 HydrophobicContact CB-CD1 4.46Å; A153-L255 HydrophobicContact CB-CD2 4.27Å; T178-L255 HydrophobicContact CG2-CB 4.47Å; T178-L255 HydrophobicContact CG2-CD2 3.48Å; T178-L255 VanDerWaalsContact CG2-CD2 3.48Å; L182-L255 HydrophobicContact CB-CD2 4.02Å; V242-L255 HydrophobicContact CG2-CD1 3.95Å; M253-L255 VanDerWaalsContact C-N 3.34Å; M253-L255 PolarHBondContact O-N 3.12Å; L255-P257 VanDerWaalsContact C-CD 3.43Å; L255-L258 WeakPolarHBondContact O-CA 3.5Å; L255-L258 WeakPolarHBondContact O-CB 3.45Å; L255-L258 PolarHBondContact O-N 3.35Å; L255-L259 HydrophobicContact CD1-CD1 4.2Å; L255-L259 HydrophobicContact CD1-CD2 4.06Å; L255-L259 HydrophobicContact CD1-CG 3.94Å; L255-L259 HydrophobicContact CD2-CD1 4.04Å; L255-L259 HydrophobicContact CG-CD1 3.67Å; L255-L259 HydrophobicContact CG-CD2 4.46Å; L255-L259 HydrophobicContact CG-CG 3.9Å; L255-L259 WeakPolarHBondContact O-CG 3.44Å; L255-L259 PolarHBondContact O-N 3.07Å
256	Q	97.9	Very high	97.9	Very high	22 Å²	22	30.3 Å²	30.3	10%	0.103	14%	0.14	C	C	.	.	H	α-helix	trans	-55.1	-43.9	-177.4	-58.7	87	-38.1	0	0	113.7	Y146 L150 L182 M253 L258 L259 T260	Y146-Q256 HydrophobicContact CD1-CB 4.43Å; Y146-Q256 HydrophobicContact CD2-CB 3.91Å; Y146-Q256 HydrophobicContact CG-CB 3.85Å; L150-Q256 HydrophobicContact CD1-CB 3.86Å; L150-Q256 HydrophobicContact CD1-CG 4.01Å; L182-Q256 HydrophobicContact CD1-CG 3.7Å; M253-Q256 HydrophobicContact CG-CB 4.27Å; M253-Q256 HydrophobicContact CG-CG 4.28Å; Q256-L258 VanDerWaalsContact C-N 3.27Å; Q256-L258 PolarHBondContact O-N 3.16Å; Q256-L259 PolarHBondContact O-N 3.05Å; Q256-T260 PolarHBondContact O-N 3.03Å; Q256-T260 PolarHBondContact O-OG1 3.11Å
257	P	97.9	Very high	97.9	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.019	16%	0.157	C	C	.	.	H	α-helix	trans	-64.2	-30.3	175.3	-13	24.4	0	0	0	112.9	Y146 M253 L255 P261 I371 C373	Y146-P257 HydrophobicContact CE1-CB 3.78Å; Y146-P257 HydrophobicContact CE1-CG 3.95Å; Y146-P257 HydrophobicContact CE2-CG 4.17Å; Y146-P257 WeakPolarHBondContact OH-CG 3.11Å; M253-P257 WeakPolarHBondContact O-CD 3.36Å; M253-P257 VanDerWaalsContact O-CG 3.24Å; M253-P257 WeakPolarHBondContact O-CG 3.49Å; L255-P257 VanDerWaalsContact C-CD 3.43Å; P257-P261 WeakPolarHBondContact O-CD 3.16Å; P257-I371 HydrophobicContact CB-CG2 3.59Å; P257-C373 HydrophobicContact CB-CB 4.24Å; P257-C373 HydrophobicContact CG-CB 4.22Å
258	L	98.6	Very high	97.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-73.7	-41.6	176	-61	175.8	0	0	0	111.4	W254 L255 Q256 T260 P261 V270 P272 A331 I371 S374	W254-L258 HydrophobicContact CE3-CD1 3.89Å; W254-L258 HydrophobicContact CZ3-CD1 4Å; W254-L258 WeakPolarHBondContact O-CG 3.29Å; L255-L258 WeakPolarHBondContact O-CA 3.5Å; L255-L258 WeakPolarHBondContact O-CB 3.45Å; L255-L258 PolarHBondContact O-N 3.35Å; Q256-L258 VanDerWaalsContact C-N 3.27Å; Q256-L258 PolarHBondContact O-N 3.16Å; L258-T260 VanDerWaalsContact C-N 3.3Å; L258-T260 PolarHBondContact O-N 2.7Å; L258-P261 WeakPolarHBondContact O-CD 3.35Å; L258-V270 HydrophobicContact CB-CG2 3.76Å; L258-V270 HydrophobicContact CD2-CB 4.13Å; L258-V270 HydrophobicContact CD2-CG2 3.78Å; L258-V270 HydrophobicContact CG-CG2 4.33Å; L258-V270 WeakPolarHBondContact O-CG2 3.49Å; L258-P272 HydrophobicContact CD2-CB 4.47Å; L258-A331 HydrophobicContact CB-CB 4.41Å; L258-I371 HydrophobicContact CD2-CB 4.03Å; L258-I371 HydrophobicContact CD2-CG1 3.96Å; L258-S374 WeakPolarHBondContact CD1-OG 3.1Å; L258-S374 WeakPolarHBondContact CD2-OG 3.26Å; L258-S374 VanDerWaalsContact CG-OG 3.26Å; L258-S374 WeakPolarHBondContact CG-OG 3.45Å
259	L	98.7	Very high	97.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-70.9	-26.3	-176.7	-62.9	177.9	0	0	0	113.1	L150 P151 A153 L182 V240 L255 Q256 I262 R263	L150-L259 HydrophobicContact CB-CB 4.31Å; L150-L259 HydrophobicContact CB-CD1 4.21Å; L150-L259 HydrophobicContact CD1-CB 4.4Å; L150-L259 HydrophobicContact CD2-CB 3.95Å; L150-L259 HydrophobicContact CG-CB 4.45Å; P151-L259 HydrophobicContact CG-CB 4.35Å; P151-L259 HydrophobicContact CG-CD2 4.34Å; P151-L259 VanDerWaalsContact O-CD1 3.28Å; P151-L259 WeakPolarHBondContact O-CD1 3.21Å; A153-L259 HydrophobicContact CB-CD2 4.22Å; L182-L259 HydrophobicContact CB-CD1 4.47Å; L182-L259 HydrophobicContact CD1-CD1 4.28Å; L182-L259 HydrophobicContact CD2-CD1 4.07Å; V240-L259 HydrophobicContact CB-CD2 3.91Å; V240-L259 HydrophobicContact CG1-CD2 3.78Å; V240-L259 HydrophobicContact CG2-CD2 3.91Å; L255-L259 HydrophobicContact CD1-CD1 4.2Å; L255-L259 HydrophobicContact CD1-CD2 4.06Å; L255-L259 HydrophobicContact CD1-CG 3.94Å; L255-L259 HydrophobicContact CD2-CD1 4.04Å; L255-L259 HydrophobicContact CG-CD1 3.67Å; L255-L259 HydrophobicContact CG-CD2 4.46Å; L255-L259 HydrophobicContact CG-CG 3.9Å; L255-L259 WeakPolarHBondContact O-CG 3.44Å; L255-L259 PolarHBondContact O-N 3.07Å; Q256-L259 PolarHBondContact O-N 3.05Å; L259-I262 PolarHBondContact O-N 3.35Å; L259-R263 WeakPolarHBondContact O-CB 3.04Å; L259-R263 PolarHBondContact O-N 2.85Å
260	T	97.9	Very high	97.9	Very high	19 Å²	19	33.7 Å²	33.7	12%	0.117	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-52.3	-174.8	-59.3	0	0	0	0	112.5	Y146 P147 Q256 L258 I262 R263 E264	Y146-T260 WeakPolarHBondContact CD1-OG1 3.18Å; P147-T260 HydrophobicContact CG-CG2 4.38Å; Q256-T260 PolarHBondContact O-N 3.03Å; Q256-T260 PolarHBondContact O-OG1 3.11Å; L258-T260 VanDerWaalsContact C-N 3.3Å; L258-T260 PolarHBondContact O-N 2.7Å; T260-I262 VanDerWaalsContact C-N 3.34Å; T260-I262 PolarHBondContact O-N 2.91Å; T260-R263 WeakPolarHBondContact O-CB 3.39Å; T260-R263 PolarHBondContact O-N 3.47Å; T260-E264 WeakPolarHBondContact O-CG 3.46Å; T260-E264 PolarHBondContact O-N 3.48Å; T260-E264 VanDerWaalsContact O-N 3.13Å
261	P	98.1	Very high	97.9	Very high	12 Å²	12	34 Å²	34	8%	0.078	15%	0.153	C	C	.	.	H	α-helix	trans	-64.3	-33.4	176	-23.3	34.1	0	0	0	114.2	P257 L258 R263 E264 D265 T268 V270 L369 I371	P257-P261 WeakPolarHBondContact O-CD 3.16Å; L258-P261 WeakPolarHBondContact O-CD 3.35Å; P261-R263 VanDerWaalsContact C-N 3.32Å; P261-E264 PolarHBondContact O-N 3.25Å; P261-D265 PolarHBondContact O-N 2.86Å; P261-T268 HydrophobicContact CB-CG2 3.95Å; P261-V270 HydrophobicContact CB-CG1 3.98Å; P261-V270 HydrophobicContact CG-CG1 4.2Å; P261-L369 HydrophobicContact CB-CD1 4.36Å; P261-I371 HydrophobicContact CG-CD1 3.9Å
262	I	98.6	Very high	98	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-66.9	-38.2	177.1	-59	171.6	0	0	0	110.5	V240 L259 T260 D265 R266 V270 A331 D333	V240-I262 HydrophobicContact CG1-CD1 3.68Å; V240-I262 HydrophobicContact CG2-CD1 4.34Å; V240-I262 HydrophobicContact CG2-CG2 3.89Å; L259-I262 PolarHBondContact O-N 3.35Å; T260-I262 VanDerWaalsContact C-N 3.34Å; T260-I262 PolarHBondContact O-N 2.91Å; I262-D265 CarbonylContact O-C 3.43Å; I262-R266 WeakPolarHBondContact O-CA 3.47Å; I262-R266 PolarHBondContact O-N 2.87Å; I262-V270 HydrophobicContact CD1-CG2 3.84Å; I262-V270 HydrophobicContact CG1-CG1 4.4Å; I262-V270 HydrophobicContact CG1-CG2 4.1Å; I262-A331 HydrophobicContact CD1-CB 3.84Å; I262-D333 HydrophobicContact CG2-CB 4.03Å
263	R	97.7	Very high	98.1	Very high	111 Å²	111	31 Å²	31	42%	0.419	14%	0.14	S	C	.	.	H	α-helix	trans	-63.7	-41.2	175.1	172.7	-171.2	157.6	87.6	1	111.5	D149 L259 T260 P261	D149-R263 PolarHBondContact O-NH1 2.9Å; D149-R263 IonicContact OD1-CZ 3.6Å; D149-R263 IonicContact OD1-NE 3.74Å; D149-R263 IonicContact OD1-NH1 3.64Å; D149-R263 PolarHBondContact OD1-NH1 2.81Å; D149-R263 VanDerWaalsContact OD1-NH1 3.09Å; D149-R263 IonicContact OD1-NH2 3.72Å; D149-R263 PolarHBondContact OD1-NH2 3.46Å; D149-R263 IonicContact OD2-CZ 2.79Å; D149-R263 IonicContact OD2-NH1 2.95Å; D149-R263 PolarHBondContact OD2-NH1 2.92Å; D149-R263 IonicContact OD2-NH2 3.88Å; D149-R263 PolarHBondContact OD2-NH2 3.13Å; L259-R263 WeakPolarHBondContact O-CB 3.04Å; L259-R263 PolarHBondContact O-N 2.85Å; T260-R263 WeakPolarHBondContact O-CB 3.39Å; T260-R263 PolarHBondContact O-N 3.47Å; P261-R263 VanDerWaalsContact C-N 3.32Å
264	E	97.3	Very high	98.2	Very high	151 Å²	151	28.9 Å²	28.9	71%	0.706	13%	0.129	S	C	*	.	H	α-helix	trans	-67.9	-43.4	178.7	-70.3	172.4	-179.3	0	0	112.2	T260 P261	T260-E264 WeakPolarHBondContact O-CG 3.46Å; T260-E264 PolarHBondContact O-N 3.48Å; T260-E264 VanDerWaalsContact O-N 3.13Å; P261-E264 PolarHBondContact O-N 3.25Å
265	D	98.2	Very high	98.2	Very high	54 Å²	54	28.9 Å²	28.9	29%	0.289	13%	0.129	S	C	.	.			trans	-143.4	110.4	176.4	176.8	3.4	0	0	0	109.8	P261 I262 R267 T268	P261-D265 PolarHBondContact O-N 2.86Å; I262-D265 CarbonylContact O-C 3.43Å; D265-R267 PolarHBondContact O-N 3.01Å; D265-R267 WeakPolarHBondContact OD1-CB 3.24Å; D265-R267 PolarHBondContact OD1-N 3.28Å; D265-T268 WeakPolarHBondContact O-CB 3.07Å; D265-T268 PolarHBondContact O-N 3.1Å; D265-T268 PolarHBondContact O-OG1 2.89Å
266	R	98.1	Very high	97.9	Very high	78 Å²	78	32.1 Å²	32.1	29%	0.294	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20	-178.2	83.3	177.6	-174	98.8	1.3	113.5	I262 T268 D333 E339	I262-R266 WeakPolarHBondContact O-CA 3.47Å; I262-R266 PolarHBondContact O-N 2.87Å; R266-T268 PolarHBondContact O-N 3.49Å; R266-D333 HydrophobicContact CB-CB 4.07Å; R266-D333 IonicContact NH1-OD1 3.95Å; R266-D333 WeakPolarHBondContact O-CB 3.43Å; R266-E339 IonicContact CZ-OE1 3.34Å; R266-E339 IonicContact CZ-OE2 3.16Å; R266-E339 VanDerWaalsContact CZ-OE2 3.32Å; R266-E339 IonicContact NH1-OE1 3.59Å; R266-E339 PolarHBondContact NH1-OE1 3.34Å; R266-E339 IonicContact NH1-OE2 3.52Å; R266-E339 PolarHBondContact NH1-OE2 3.35Å; R266-E339 IonicContact NH2-OE1 2.78Å; R266-E339 PolarHBondContact NH2-OE1 3.32Å; R266-E339 IonicContact NH2-OE2 3.14Å; R266-E339 PolarHBondContact NH2-OE2 3.21Å
267	R	98.4	Very high	97.8	Very high	108 Å²	108	31.1 Å²	31.1	41%	0.408	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	5.7	177.4	-59.6	-172.4	171.6	-173.3	-1.3	112.9	D265 Y336 G366 R367	D265-R267 PolarHBondContact O-N 3.01Å; D265-R267 WeakPolarHBondContact OD1-CB 3.24Å; D265-R267 PolarHBondContact OD1-N 3.28Å; R267-Y336 HydrophobicContact CB-CD2 4.41Å; R267-Y336 HydrophobicContact CB-CE1 4.12Å; R267-Y336 HydrophobicContact CB-CE2 4.02Å; R267-Y336 HydrophobicContact CG-CD2 3.93Å; R267-Y336 HydrophobicContact CG-CE2 3.74Å; R267-Y336 HydrophobicContact CG-CG 4.47Å; R267-Y336 WeakPolarHBondContact O-CE1 3.48Å; R267-G366 VanDerWaalsContact O-CA 3.27Å; R267-G366 WeakPolarHBondContact O-CA 3.48Å; R267-R367 PolarHBondContact O-N 3.29Å
268	T	98.8	Very high	97.5	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.3	173.4	-53.8	0	0	0	0	110.3	P261 D265 R266 V270 R367 L369	P261-T268 HydrophobicContact CB-CG2 3.95Å; D265-T268 WeakPolarHBondContact O-CB 3.07Å; D265-T268 PolarHBondContact O-N 3.1Å; D265-T268 PolarHBondContact O-OG1 2.89Å; R266-T268 PolarHBondContact O-N 3.49Å; T268-V270 HydrophobicContact CG2-CG1 3.77Å; T268-R367 HydrophobicContact CG2-CB 4.26Å; T268-L369 HydrophobicContact CG2-CD1 3.59Å; T268-L369 HydrophobicContact CG2-CG 4Å
269	V	98.8	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.6	168.4	-178.3	0	0	0	0	107.5	F330 M332 Y336 I361 R367 L368 L369	V269-F330 HydrophobicContact CG1-CD2 3.83Å; V269-M332 HydrophobicContact CB-CB 4.41Å; V269-M332 HydrophobicContact CG1-CB 4.22Å; V269-M332 HydrophobicContact CG2-CB 3.87Å; V269-M332 HydrophobicContact CG2-CE 4.05Å; V269-M332 HydrophobicContact CG2-SD 4.46Å; V269-Y336 HydrophobicContact CG2-CD1 4.43Å; V269-Y336 HydrophobicContact CG2-CE1 4.14Å; V269-I361 HydrophobicContact CB-CD1 3.91Å; V269-I361 HydrophobicContact CG1-CD1 3.99Å; V269-I361 HydrophobicContact CG2-CD1 3.62Å; V269-I361 HydrophobicContact CG2-CG1 3.94Å; V269-I361 HydrophobicContact CG2-CG2 4.22Å; V269-R367 PolarHBondContact N-O 3.16Å; V269-L368 HydrophobicContact CB-CD1 3.95Å; V269-L368 HydrophobicContact CG1-CD1 3.76Å; V269-L368 WeakPolarHBondContact O-CA 3.35Å; V269-L369 PolarHBondContact O-N 3.18Å
270	V	98.8	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.1	-174.1	-61	0	0	0	0	111.5	L258 P261 I262 T268 F330 A331 L369 I371	L258-V270 HydrophobicContact CB-CG2 3.76Å; L258-V270 HydrophobicContact CD2-CB 4.13Å; L258-V270 HydrophobicContact CD2-CG2 3.78Å; L258-V270 HydrophobicContact CG-CG2 4.33Å; L258-V270 WeakPolarHBondContact O-CG2 3.49Å; P261-V270 HydrophobicContact CB-CG1 3.98Å; P261-V270 HydrophobicContact CG-CG1 4.2Å; I262-V270 HydrophobicContact CD1-CG2 3.84Å; I262-V270 HydrophobicContact CG1-CG1 4.4Å; I262-V270 HydrophobicContact CG1-CG2 4.1Å; T268-V270 HydrophobicContact CG2-CG1 3.77Å; V270-F330 CarbonylContact O-C 3.47Å; V270-F330 VanDerWaalsContact O-CA 3.24Å; V270-F330 WeakPolarHBondContact O-CA 3.3Å; V270-F330 WeakPolarHBondContact O-CB 3.35Å; V270-A331 HydrophobicContact CG2-CB 3.82Å; V270-A331 PolarHBondContact N-O 3.41Å; V270-A331 PolarHBondContact O-N 3.09Å; V270-L369 CarbonylContact C-O 3.49Å; V270-L369 VanDerWaalsContact CA-O 3.29Å; V270-L369 WeakPolarHBondContact CA-O 3.44Å; V270-L369 HydrophobicContact CG1-CB 4.35Å; V270-I371 HydrophobicContact CB-CD1 4.46Å; V270-I371 HydrophobicContact CB-CG1 3.89Å; V270-I371 HydrophobicContact CG1-CD1 4.12Å; V270-I371 HydrophobicContact CG1-CG1 4.07Å
271	C	98.6	Very high	96	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.061	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.4	173.8	-66.4	0	0	0	0	109.8	M325 L369 I370 I371	C271-M325 VanDerWaalsContact SG-CB 3.58Å; C271-L369 PolarHBondContact N-O 3.27Å; C271-I370 HydrophobicContact CB-CG1 4.15Å; C271-I370 CarbonylContact O-C 3.5Å; C271-I370 WeakPolarHBondContact O-CA 3.24Å; C271-I371 PolarHBondContact O-N 3.41Å
272	P	98.4	Very high	95.8	Very high	7 Å²	7	32 Å²	32	5%	0.045	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	162.7	164.5	32.6	-35.2	0	0	0	110.4	L258 L329 S374 V376	L258-P272 HydrophobicContact CD2-CB 4.47Å; P272-L329 HydrophobicContact CG-CB 3.93Å; P272-L329 HydrophobicContact CG-CD2 4.3Å; P272-S374 CarbonylContact C-O 3.58Å; P272-S374 WeakPolarHBondContact CA-O 2.97Å; P272-S374 WeakPolarHBondContact CB-O 3.49Å; P272-S374 WeakPolarHBondContact CB-OG 3.44Å; P272-V376 HydrophobicContact CB-CB 4.43Å; P272-V376 HydrophobicContact CB-CG2 3.86Å; P272-V376 HydrophobicContact CG-CB 4.26Å; P272-V376 HydrophobicContact CG-CG2 3.84Å
273	V	97.6	Very high	95.4	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.042	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	129.8	158.8	170.6	0	0	0	0	108.3	I370 S374 R375 V376	V273-I370 HydrophobicContact CG2-CG2 3.77Å; V273-S374 PolarHBondContact N-O 3.25Å; V273-R375 HydrophobicContact CB-CG 4.22Å; V273-R375 WeakPolarHBondContact O-CA 3.35Å; V273-V376 PolarHBondContact O-N 2.86Å
274	I	97.4	Very high	95.2	Very high	18 Å²	18	30.2 Å²	30.2	9%	0.092	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	106.1	-177.8	-54.5	175.3	0	0	0	108.6	S287 W302 A326 L329 V376 H378 F380	I274-S287 WeakPolarHBondContact O-CB 3.17Å; I274-S287 PolarHBondContact O-OG 3.06Å; I274-W302 HydrophobicContact CD1-CH2 4.13Å; I274-W302 HydrophobicContact CD1-CZ2 4.31Å; I274-A326 HydrophobicContact CD1-CB 4Å; I274-L329 HydrophobicContact CD1-CD1 4.22Å; I274-V376 CarbonylContact C-O 3.56Å; I274-V376 WeakPolarHBondContact CA-O 3.48Å; I274-H378 HydrophobicContact CG2-CB 3.55Å; I274-F380 HydrophobicContact CG2-CE2 3.99Å; I274-F380 HydrophobicContact CG2-CZ 3.69Å
275	D	97.2	Very high	94.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	158.4	176.4	-82.1	-8.2	0	0	0	111.1	T136 Y284 S285 S287 R375 V376 G377 H378	T136-D275 VanDerWaalsContact CB-OD2 3.27Å; T136-D275 WeakPolarHBondContact CB-OD2 3.41Å; T136-D275 PolarHBondContact OG1-OD2 2.83Å; D275-Y284 HydrophobicContact CB-CE1 3.69Å; D275-Y284 VanDerWaalsContact OD2-CE1 3.3Å; D275-Y284 WeakPolarHBondContact OD2-CE1 3.44Å; D275-Y284 PolarHBondContact OD2-OH 3.4Å; D275-S285 WeakPolarHBondContact CB-O 3.2Å; D275-S287 WeakPolarHBondContact CA-OG 3.5Å; D275-S287 PolarHBondContact OD1-N 3.06Å; D275-R375 IonicContact OD1-CZ 3.47Å; D275-R375 IonicContact OD1-NH1 3.87Å; D275-R375 PolarHBondContact OD1-NH1 2.83Å; D275-R375 WeakPolarHBondContact OD2-CD 3.43Å; D275-R375 IonicContact OD2-NH1 2.77Å; D275-R375 PolarHBondContact OD2-NH1 3.13Å; D275-V376 PolarHBondContact N-O 3.19Å; D275-G377 CarbonylContact O-C 3.55Å; D275-G377 WeakPolarHBondContact O-CA 3.48Å; D275-H378 PolarHBondContact O-N 2.93Å
276	I	93.9	Very high	94.6	Very high	69 Å²	69	26.1 Å²	26.1	35%	0.354	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.3	-174.3	-64.5	160.9	0	0	0	109.5	S285 F380	I276-S285 PolarHBondContact N-O 2.95Å; I276-S285 PolarHBondContact O-N 2.88Å; I276-S285 PolarHBondContact O-OG 3.1Å; I276-F380 HydrophobicContact CB-CD2 4.13Å; I276-F380 HydrophobicContact CB-CE2 4.34Å; I276-F380 HydrophobicContact CG1-CD2 3.85Å; I276-F380 HydrophobicContact CG1-CE2 3.79Å; I276-F380 HydrophobicContact CG2-CD2 4.06Å
277	I	95.6	Very high	94.1	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	117.6	159.7	-56.3	169.7	0	0	0	107.3	E249 A279 L282 T283 Y284 G377 H378 I379 F380	E249-I277 HydrophobicContact CB-CD1 3.96Å; E249-I277 HydrophobicContact CG-CD1 4.01Å; I277-A279 PolarHBondContact O-N 3.39Å; I277-L282 HydrophobicContact CG2-CB 4.48Å; I277-L282 HydrophobicContact CG2-CD1 4.07Å; I277-T283 WeakPolarHBondContact CA-O 3.5Å; I277-Y284 HydrophobicContact CD1-CD2 4.12Å; I277-Y284 HydrophobicContact CG1-CD2 3.83Å; I277-Y284 HydrophobicContact CG1-CE2 4.45Å; I277-Y284 HydrophobicContact CG1-CG 4.42Å; I277-G377 VanDerWaalsContact CD1-C 3.48Å; I277-H378 PolarHBondContact N-O 2.62Å; I277-I379 HydrophobicContact CB-CG1 3.97Å; I277-I379 HydrophobicContact CD1-CG1 4.4Å; I277-I379 HydrophobicContact CG2-CG1 3.79Å; I277-I379 WeakPolarHBondContact O-CA 3.46Å; I277-F380 PolarHBondContact O-N 2.79Å
278	S	90.9	Very high	93.6	Very high	28 Å²	28	22.4 Å²	22.4	20%	0.196	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	130.3	-179.9	171.3	0	0	0	0	111.1	D280 T281 L282 T283	S278-D280 PolarHBondContact O-N 3.13Å; S278-D280 PolarHBondContact OG-N 3.32Å; S278-T281 WeakPolarHBondContact CB-OG1 3.14Å; S278-T281 PolarHBondContact OG-N 3.41Å; S278-T281 PolarHBondContact OG-OG1 3.24Å; S278-L282 WeakPolarHBondContact O-CA 3.25Å; S278-L282 PolarHBondContact O-N 2.8Å; S278-T283 PolarHBondContact N-O 3.39Å
279	A	91.2	Very high	93	Very high	5 Å²	5	24.1 Å²	24.1	4%	0.041	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.3	174.3	0	0	0	0	0	112.9	F119 N120 I277 I379 F380	F119-A279 CarbonylContact C-O 3.52Å; F119-A279 WeakPolarHBondContact CA-O 3.38Å; F119-A279 HydrophobicContact CB-CB 3.77Å; F119-A279 WeakPolarHBondContact CB-O 3.5Å; N120-A279 PolarHBondContact N-O 2.81Å; I277-A279 PolarHBondContact O-N 3.39Å; A279-I379 HydrophobicContact CB-CG2 4.21Å; A279-F380 WeakPolarHBondContact CB-O 3.24Å
280	D	86.6	Confident	92.6	Very high	11 Å²	11	25.5 Å²	25.5	6%	0.059	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-36.6	-175.3	-53.4	-62	0	0	0	112.9	Y114 N120 I123 S278 K382	Y114-D280 WeakPolarHBondContact CE1-OD1 3.47Å; Y114-D280 VanDerWaalsContact OH-CA 3.27Å; Y114-D280 WeakPolarHBondContact OH-CA 3.49Å; Y114-D280 WeakPolarHBondContact OH-CB 3.47Å; Y114-D280 PolarHBondContact OH-OD1 3.47Å; N120-D280 WeakPolarHBondContact CB-O 3.48Å; N120-D280 PolarHBondContact ND2-O 2.81Å; I123-D280 VanDerWaalsContact CD1-O 3.27Å; I123-D280 WeakPolarHBondContact CD1-O 3.33Å; S278-D280 PolarHBondContact O-N 3.13Å; S278-D280 PolarHBondContact OG-N 3.32Å; D280-K382 IonicContact OD1-NZ 2.79Å; D280-K382 PolarHBondContact OD1-NZ 3.22Å; D280-K382 WeakPolarHBondContact OD2-CE 3.46Å; D280-K382 IonicContact OD2-NZ 3.51Å; D280-K382 PolarHBondContact OD2-NZ 3.44Å
281	T	86.9	Confident	92.3	Very high	10 Å²	10	26.1 Å²	26.1	6%	0.061	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-13.4	-173.5	70.9	0	0	0	0	113.4	F94 S278 T283 V573	F94-T281 WeakPolarHBondContact CE1-O 3.22Å; F94-T281 WeakPolarHBondContact CZ-O 3.4Å; S278-T281 WeakPolarHBondContact CB-OG1 3.14Å; S278-T281 PolarHBondContact OG-N 3.41Å; S278-T281 PolarHBondContact OG-OG1 3.24Å; T281-T283 PolarHBondContact O-N 3.43Å; T281-T283 VanDerWaalsContact O-N 3.09Å; T281-T283 WeakPolarHBondContact OG1-CB 3.33Å; T281-T283 PolarHBondContact OG1-N 3.41Å; T281-T283 PolarHBondContact OG1-OG1 2.83Å; T281-V573 HydrophobicContact CG2-CG1 3.55Å
282	L	91.9	Very high	92.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.158	C	C	.	.			trans	58.7	14.5	-173.7	-68.7	-68.4	0	0	0	113.5	F94 F119 N120 I123 L127 R131 I277 S278 I379	F94-L282 HydrophobicContact CZ-CB 4.46Å; F119-L282 HydrophobicContact CD2-CD1 4.5Å; N120-L282 HydrophobicContact CB-CD2 3.94Å; I123-L282 HydrophobicContact CB-CD2 3.95Å; I123-L282 HydrophobicContact CB-CG 4.34Å; I123-L282 HydrophobicContact CD1-CD2 4.49Å; I123-L282 HydrophobicContact CG2-CB 3.84Å; I123-L282 HydrophobicContact CG2-CD2 4.02Å; I123-L282 HydrophobicContact CG2-CG 3.96Å; L127-L282 HydrophobicContact CD1-CB 3.76Å; L127-L282 HydrophobicContact CD1-CG 4.24Å; R131-L282 PolarHBondContact NH1-O 2.95Å; R131-L282 PolarHBondContact NH2-O 2.81Å; I277-L282 HydrophobicContact CG2-CB 4.48Å; I277-L282 HydrophobicContact CG2-CD1 4.07Å; S278-L282 WeakPolarHBondContact O-CA 3.25Å; S278-L282 PolarHBondContact O-N 2.8Å; L282-I379 HydrophobicContact CD1-CD1 3.67Å; L282-I379 HydrophobicContact CD1-CG1 4.27Å
283	T	90.6	Very high	92	Very high	64 Å²	64	25.3 Å²	25.3	39%	0.393	16%	0.156	S	C	.	.			trans	-65.8	131.2	174.1	-51.7	0	0	0	0	109.8	I277 S278 T281	I277-T283 WeakPolarHBondContact CA-O 3.5Å; S278-T283 PolarHBondContact N-O 3.39Å; T281-T283 PolarHBondContact O-N 3.43Å; T281-T283 VanDerWaalsContact O-N 3.09Å; T281-T283 WeakPolarHBondContact OG1-CB 3.33Å; T281-T283 PolarHBondContact OG1-N 3.41Å; T281-T283 PolarHBondContact OG1-OG1 2.83Å
284	Y	93.5	Very high	91.9	Very high	15 Å²	15	25 Å²	25	6%	0.059	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	128.4	174.3	-169.7	-68.1	0	0	0	109.6	V133 P134 T136 E249 N251 D275 I277 G377	V133-Y284 HydrophobicContact CB-CD2 4.07Å; V133-Y284 HydrophobicContact CB-CE2 4.35Å; V133-Y284 HydrophobicContact CB-CG 4.33Å; V133-Y284 HydrophobicContact CG1-CD2 3.93Å; V133-Y284 HydrophobicContact CG1-CE2 4.41Å; V133-Y284 HydrophobicContact CG1-CG 4.47Å; P134-Y284 HydrophobicContact CG-CD1 3.94Å; P134-Y284 HydrophobicContact CG-CG 4.41Å; T136-Y284 HydrophobicContact CG2-CD1 3.88Å; T136-Y284 HydrophobicContact CG2-CE1 3.58Å; E249-Y284 HydrophobicContact CB-CE2 4.45Å; N251-Y284 PolarHBondContact ND2-OH 2.66Å; N251-Y284 VanDerWaalsContact ND2-OH 3.09Å; D275-Y284 HydrophobicContact CB-CE1 3.69Å; D275-Y284 VanDerWaalsContact OD2-CE1 3.3Å; D275-Y284 WeakPolarHBondContact OD2-CE1 3.44Å; D275-Y284 PolarHBondContact OD2-OH 3.4Å; I277-Y284 HydrophobicContact CD1-CD2 4.12Å; I277-Y284 HydrophobicContact CG1-CD2 3.83Å; I277-Y284 HydrophobicContact CG1-CE2 4.45Å; I277-Y284 HydrophobicContact CG1-CG 4.42Å; Y284-G377 VanDerWaalsContact CE2-CA 3.42Å; Y284-G377 PolarHBondContact OH-N 3.46Å
285	S	90.7	Very high	91.7	Very high	50 Å²	50	27.3 Å²	27.3	35%	0.35	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.5	-177.6	58.5	0	0	0	0	111.9	D275 I276	D275-S285 WeakPolarHBondContact CB-O 3.2Å; I276-S285 PolarHBondContact N-O 2.95Å; I276-S285 PolarHBondContact O-N 2.88Å; I276-S285 PolarHBondContact O-OG 3.1Å
286	S	92	Very high	91.5	Very high	68 Å²	68	28.9 Å²	28.9	48%	0.476	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-63.8	132.9	177.8	171.5	0	0	0	0	111.2	R375	S286-R375 PolarHBondContact OG-NH1 3.13Å
287	S	88.9	Confident	91.4	Very high	14 Å²	14	26.1 Å²	26.1	10%	0.098	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-86.3	152.8	165.2	-73.8	0	0	0	0	111.7	I274 D275	I274-S287 WeakPolarHBondContact O-CB 3.17Å; I274-S287 PolarHBondContact O-OG 3.06Å; D275-S287 WeakPolarHBondContact CA-OG 3.5Å; D275-S287 PolarHBondContact OD1-N 3.06Å
288	P	87.4	Confident	91.4	Very high	94 Å²	94	26.1 Å²	26.1	61%	0.61	16%	0.161	S	C	*	.	P	Polyproline II helix	trans	-65.5	153.5	165.9	29.9	-34.3	0	0	0	110.3	V290	P288-V290 HydrophobicContact CG-CG1 4.28Å; P288-V290 PolarHBondContact O-N 3.35Å
289	V	85.8	Confident	91.5	Very high	38 Å²	38	29.1 Å²	29.1	23%	0.23	17%	0.172	C	C	.	.			trans	-74.7	115.2	173.6	-172.7	0	0	0	0	108.6	V305 I320 P372	V289-V305 HydrophobicContact CG1-CG2 4.22Å; V289-I320 HydrophobicContact CG1-CD1 3.21Å; V289-P372 HydrophobicContact CG1-CG 4.16Å; V289-P372 HydrophobicContact CG2-CB 4.41Å
290	V	90.4	Very high	91.6	Very high	28 Å²	28	31.5 Å²	31.5	17%	0.17	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	160.1	-178.1	-71.9	0	0	0	0	109.4	P288 W302 D303 I370	P288-V290 HydrophobicContact CG-CG1 4.28Å; P288-V290 PolarHBondContact O-N 3.35Å; V290-W302 HydrophobicContact CB-CB 4.3Å; V290-W302 HydrophobicContact CB-CE3 4.07Å; V290-W302 HydrophobicContact CG2-CB 4.24Å; V290-W302 HydrophobicContact CG2-CD2 3.74Å; V290-W302 HydrophobicContact CG2-CE3 3.29Å; V290-W302 HydrophobicContact CG2-CG 4.18Å; V290-W302 HydrophobicContact CG2-CZ3 3.82Å; V290-D303 WeakPolarHBondContact CB-O 3.41Å; V290-I370 WeakPolarHBondContact O-CD1 3.47Å
291	R	93	Very high	91.9	Very high	13 Å²	13	34.6 Å²	34.6	5%	0.049	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	155.7	170.9	69.3	-178.8	-174.3	171	6.4	111.9	D303 V305 P306 E309 I320 I370 E454	R291-D303 HydrophobicContact CG-CB 4.2Å; R291-D303 PolarHBondContact N-O 3.01Å; R291-D303 PolarHBondContact O-N 3.21Å; R291-V305 HydrophobicContact CB-CG2 4.46Å; R291-P306 VanDerWaalsContact CZ-CD 3.5Å; R291-E309 IonicContact NH1-OE1 2.63Å; R291-E309 PolarHBondContact NH1-OE1 3.39Å; R291-E309 VanDerWaalsContact NH1-OE1 3.16Å; R291-I320 HydrophobicContact CB-CG2 4.26Å; R291-I370 HydrophobicContact CB-CD1 4.26Å; R291-E454 IonicContact CZ-OE1 3.48Å; R291-E454 IonicContact NH1-OE1 2.67Å; R291-E454 IonicContact NH2-OE1 3.68Å; R291-E454 PolarHBondContact NH2-OE1 2.76Å; R291-E454 IonicContact NH2-OE2 3.62Å; R291-E454 PolarHBondContact NH2-OE2 2.74Å
292	G	95.4	Very high	92.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	131.5	178.9	0	0	0	0	0	111.9	S322 P323 T324	G292-S322 PolarHBondContact N-OG 3.43Å; G292-P323 WeakPolarHBondContact O-CB 3.05Å; G292-P323 WeakPolarHBondContact O-CD 3.49Å; G292-T324 WeakPolarHBondContact CA-O 3.45Å; G292-T324 PolarHBondContact O-N 3.07Å; G292-T324 PolarHBondContact O-OG1 3.4Å
293	G	95.8	Very high	92.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	-170.6	171.2	0	0	0	0	0	111.5	F300 K301 T324	G293-F300 WeakPolarHBondContact O-CD2 3.32Å; G293-K301 CarbonylContact C-O 3.59Å; G293-K301 PolarHBondContact N-O 3.05Å; G293-K301 PolarHBondContact O-N 3.35Å; G293-K301 VanDerWaalsContact O-N 3.09Å; G293-T324 WeakPolarHBondContact CA-OG1 3.21Å; G293-T324 PolarHBondContact N-OG1 3.09Å; G293-T324 VanDerWaalsContact N-OG1 3.16Å; G293-T324 PolarHBondContact O-OG1 3.03Å
294	F	95.6	Very high	91.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	161	172	71.6	-76.1	0	0	0	110.6	L298 H299 K301 T324 L355 F359 F444 Y447 Y452 M455	F294-L298 HydrophobicContact CD2-CD2 4.03Å; F294-L298 HydrophobicContact CE2-CD2 4.14Å; F294-H299 CarbonylContact C-O 3.47Å; F294-H299 WeakPolarHBondContact CA-O 3.46Å; F294-H299 WeakPolarHBondContact CB-O 3.31Å; F294-K301 WeakPolarHBondContact O-CE 3.5Å; F294-T324 HydrophobicContact CD1-CG2 3.77Å; F294-L355 HydrophobicContact CB-CD1 3.93Å; F294-L355 HydrophobicContact CB-CD2 3.79Å; F294-L355 HydrophobicContact CG-CD1 4.42Å; F294-L355 HydrophobicContact CG-CD2 4.46Å; F294-F359 HydrophobicContact CD1-CE1 4.02Å; F294-F359 HydrophobicContact CD1-CZ 4.06Å; F294-F359 HydrophobicContact CD2-CZ 4.28Å; F294-F359 AromaticContact CE1-CE1 3.72Å; F294-F359 HydrophobicContact CE1-CE1 3.72Å; F294-F359 AromaticContact CE1-CZ 3.72Å; F294-F359 HydrophobicContact CE1-CZ 3.72Å; F294-F359 HydrophobicContact CE2-CZ 4.01Å; F294-F359 HydrophobicContact CG-CZ 4.35Å; F294-F359 HydrophobicContact CZ-CE1 4.19Å; F294-F359 AromaticContact CZ-CZ 3.74Å; F294-F359 HydrophobicContact CZ-CZ 3.74Å; F294-F444 AromaticContact CZ-CZ 3.85Å; F294-F444 HydrophobicContact CZ-CZ 3.85Å; F294-Y447 HydrophobicContact CE1-CE1 4.13Å; F294-Y452 HydrophobicContact CD1-CD1 4.05Å; F294-Y452 AromaticContact CD1-CE1 3.77Å; F294-Y452 HydrophobicContact CD1-CE1 3.77Å; F294-Y452 AromaticContact CE1-CD1 3.65Å; F294-Y452 HydrophobicContact CE1-CD1 3.65Å; F294-Y452 AromaticContact CE1-CE1 3.76Å; F294-Y452 HydrophobicContact CE1-CE1 3.76Å; F294-M455 HydrophobicContact CD2-CE 4.04Å; F294-M455 HydrophobicContact CE1-CG 4.49Å; F294-M455 HydrophobicContact CE2-CE 3.74Å; F294-M455 HydrophobicContact CZ-CE 4.06Å; F294-M455 HydrophobicContact CZ-CG 4.22Å; F294-M455 VanDerWaalsContact O-CE 3.24Å; F294-M455 WeakPolarHBondContact O-CE 3.41Å
295	N	92.6	Very high	91.7	Very high	66 Å²	66	42.4 Å²	42.4	35%	0.353	23%	0.226	S	C	.	.			trans	-102	166.6	169.8	67.9	25.2	0	0	0	111.1	G297 L298 H299	N295-G297 PolarHBondContact O-N 3.39Å; N295-G297 WeakPolarHBondContact OD1-CA 3.49Å; N295-G297 PolarHBondContact OD1-N 3.02Å; N295-L298 WeakPolarHBondContact O-CA 3.32Å; N295-L298 PolarHBondContact O-N 2.83Å; N295-L298 PolarHBondContact OD1-N 3.16Å; N295-H299 PolarHBondContact N-O 3.3Å; N295-H299 PolarHBondContact OD1-N 2.87Å
296	W	92.6	Very high	91.3	Very high	34 Å²	34	41.6 Å²	41.6	13%	0.129	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.2	-179.3	-70.5	109.1	0	0	0	114	L298 M407 Y410 Q413 Y414 L417 F444 L448 M455 I457	W296-L298 PolarHBondContact O-N 3.16Å; W296-M407 HydrophobicContact CE3-CE 4.2Å; W296-M407 HydrophobicContact CZ3-CE 3.97Å; W296-Y410 AromaticContact CH2-CD1 3.96Å; W296-Y410 HydrophobicContact CH2-CD1 3.96Å; W296-Q413 HydrophobicContact CB-CB 4.46Å; W296-Q413 HydrophobicContact CD2-CB 3.73Å; W296-Q413 HydrophobicContact CD2-CG 4.19Å; W296-Q413 HydrophobicContact CE3-CB 3.34Å; W296-Q413 HydrophobicContact CE3-CG 3.89Å; W296-Q413 HydrophobicContact CG-CB 4.24Å; W296-Q413 HydrophobicContact CH2-CG 4.19Å; W296-Q413 HydrophobicContact CZ2-CG 4.5Å; W296-Q413 HydrophobicContact CZ3-CB 3.79Å; W296-Q413 HydrophobicContact CZ3-CG 3.88Å; W296-Y414 WeakPolarHBondContact O-CA 3.39Å; W296-Y414 WeakPolarHBondContact O-CD2 2.93Å; W296-L417 VanDerWaalsContact C-CD1 3.5Å; W296-L417 HydrophobicContact CB-CD1 3.64Å; W296-F444 HydrophobicContact CH2-CE1 4.39Å; W296-F444 HydrophobicContact CZ3-CE1 4.3Å; W296-L448 HydrophobicContact CH2-CD1 4.04Å; W296-M455 HydrophobicContact CB-CE 4.47Å; W296-M455 HydrophobicContact CD2-CE 3.64Å; W296-M455 HydrophobicContact CE3-CE 4.35Å; W296-M455 HydrophobicContact CG-CE 3.66Å; W296-M455 HydrophobicContact CZ2-CE 4.21Å; W296-M455 HydrophobicContact CZ2-CG 4.04Å; W296-I457 HydrophobicContact CD2-CD1 4.41Å; W296-I457 HydrophobicContact CZ2-CD1 4.07Å; W296-I457 HydrophobicContact CZ2-CG1 4.27Å
297	G	92.4	Very high	90.8	Very high	11 Å²	11	43.8 Å²	43.8	11%	0.113	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	5.5	167.3	0	0	0	0	0	114	N295 H299 Y414	N295-G297 PolarHBondContact O-N 3.39Å; N295-G297 WeakPolarHBondContact OD1-CA 3.49Å; N295-G297 PolarHBondContact OD1-N 3.02Å; G297-H299 PolarHBondContact O-CD2 3.36Å; G297-H299 PolarHBondContact O-N 3.25Å; G297-Y414 WeakPolarHBondContact O-CE2 3.47Å
298	L	94.8	Very high	90.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	59.3	32.7	-177.1	-58.9	177.6	0	0	0	113.7	F294 N295 W296 L355 M395 L402 A403 M407 Y414	F294-L298 HydrophobicContact CD2-CD2 4.03Å; F294-L298 HydrophobicContact CE2-CD2 4.14Å; N295-L298 WeakPolarHBondContact O-CA 3.32Å; N295-L298 PolarHBondContact O-N 2.83Å; N295-L298 PolarHBondContact OD1-N 3.16Å; W296-L298 PolarHBondContact O-N 3.16Å; L298-L355 HydrophobicContact CB-CD1 4.19Å; L298-L355 HydrophobicContact CD2-CD1 4.46Å; L298-L355 VanDerWaalsContact O-CD1 3.23Å; L298-L355 WeakPolarHBondContact O-CD1 3.41Å; L298-M395 WeakPolarHBondContact O-CE 3.37Å; L298-L402 HydrophobicContact CD1-CD2 3.92Å; L298-L402 HydrophobicContact CD2-CD2 4.15Å; L298-A403 HydrophobicContact CD1-CB 4.18Å; L298-M407 HydrophobicContact CD1-SD 3.95Å; L298-M407 HydrophobicContact CD2-CE 3.99Å; L298-M407 HydrophobicContact CD2-SD 3.68Å; L298-M407 HydrophobicContact CG-SD 4.36Å; L298-Y414 HydrophobicContact CB-CD2 4.36Å; L298-Y414 HydrophobicContact CB-CE2 4.23Å; L298-Y414 HydrophobicContact CD1-CD1 3.89Å; L298-Y414 HydrophobicContact CD1-CD2 3.82Å; L298-Y414 HydrophobicContact CD1-CE1 4.05Å; L298-Y414 HydrophobicContact CD1-CE2 3.98Å; L298-Y414 HydrophobicContact CD1-CG 3.76Å; L298-Y414 HydrophobicContact CG-CD2 3.78Å; L298-Y414 HydrophobicContact CG-CE2 4.09Å; L298-Y414 HydrophobicContact CG-CG 4.11Å
299	H	92.7	Very high	89.8	Confident	91 Å²	91	45.8 Å²	45.8	42%	0.421	23%	0.234	S	C	.	.			trans	-97.3	135	168.2	-60	-70.3	0	0	0	110.4	F294 N295 G297	F294-H299 CarbonylContact C-O 3.47Å; F294-H299 WeakPolarHBondContact CA-O 3.46Å; F294-H299 WeakPolarHBondContact CB-O 3.31Å; N295-H299 PolarHBondContact N-O 3.3Å; N295-H299 PolarHBondContact OD1-N 2.87Å; G297-H299 PolarHBondContact O-CD2 3.36Å; G297-H299 PolarHBondContact O-N 3.25Å
300	F	95.1	Very high	89.5	Confident	55 Å²	55	46.3 Å²	46.3	24%	0.241	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	143.2	170.2	176.2	-96	0	0	0	110.9	G293 W302 M325 A326	G293-F300 WeakPolarHBondContact O-CD2 3.32Å; F300-W302 AromaticContact CE1-CD2 3.7Å; F300-W302 HydrophobicContact CE1-CD2 3.7Å; F300-W302 AromaticContact CE1-CE2 3.48Å; F300-W302 VanDerWaalsContact CE1-CE2 3.48Å; F300-W302 HydrophobicContact CE1-CE3 4.19Å; F300-W302 HydrophobicContact CE1-CG 4.11Å; F300-W302 HydrophobicContact CE1-CH2 4.32Å; F300-W302 AromaticContact CE1-CZ2 3.81Å; F300-W302 HydrophobicContact CE1-CZ2 3.81Å; F300-W302 HydrophobicContact CE1-CZ3 4.49Å; F300-W302 AromaticContact CE1-NE1 3.71Å; F300-W302 AromaticContact CZ-CD2 3.68Å; F300-W302 HydrophobicContact CZ-CD2 3.68Å; F300-W302 AromaticContact CZ-CE2 3.75Å; F300-W302 AromaticContact CZ-CE3 3.68Å; F300-W302 HydrophobicContact CZ-CE3 3.68Å; F300-W302 HydrophobicContact CZ-CG 4.41Å; F300-W302 AromaticContact CZ-CH2 3.87Å; F300-W302 HydrophobicContact CZ-CH2 3.87Å; F300-W302 AromaticContact CZ-CZ2 3.85Å; F300-W302 HydrophobicContact CZ-CZ2 3.85Å; F300-W302 AromaticContact CZ-CZ3 3.79Å; F300-W302 HydrophobicContact CZ-CZ3 3.79Å; F300-M325 WeakPolarHBondContact CD2-O 3.43Å; F300-M325 VanDerWaalsContact CE2-C 3.41Å; F300-A326 HydrophobicContact CE1-CB 4.02Å; F300-A326 HydrophobicContact CE2-CB 4.29Å; F300-A326 HydrophobicContact CZ-CB 3.83Å
301	K	92.3	Very high	88.8	Confident	76 Å²	76	51.8 Å²	51.8	33%	0.33	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	158.8	169.8	58.6	167	177	136.8	0	110	G293 F294 D303 Y452	G293-K301 CarbonylContact C-O 3.59Å; G293-K301 PolarHBondContact N-O 3.05Å; G293-K301 PolarHBondContact O-N 3.35Å; G293-K301 VanDerWaalsContact O-N 3.09Å; F294-K301 WeakPolarHBondContact O-CE 3.5Å; K301-D303 WeakPolarHBondContact CD-OD1 3.34Å; K301-D303 VanDerWaalsContact CE-OD1 3.31Å; K301-D303 WeakPolarHBondContact CE-OD1 3.33Å; K301-D303 IonicContact NZ-OD1 3.37Å; K301-D303 PolarHBondContact NZ-OD1 2.8Å; K301-D303 IonicContact NZ-OD2 3.65Å; K301-D303 PolarHBondContact NZ-OD2 3.46Å; K301-Y452 VanDerWaalsContact CE-OH 3.23Å; K301-Y452 WeakPolarHBondContact CE-OH 3.21Å; K301-Y452 PolarHBondContact NZ-OH 3.48Å; K301-Y452 VanDerWaalsContact NZ-OH 3.12Å
302	W	91.6	Very high	88	Confident	107 Å²	107	53.1 Å²	53.1	41%	0.405	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	129	168.2	-63.7	110.8	0	0	0	109.6	I274 V290 F300 A326	I274-W302 HydrophobicContact CD1-CH2 4.13Å; I274-W302 HydrophobicContact CD1-CZ2 4.31Å; V290-W302 HydrophobicContact CB-CB 4.3Å; V290-W302 HydrophobicContact CB-CE3 4.07Å; V290-W302 HydrophobicContact CG2-CB 4.24Å; V290-W302 HydrophobicContact CG2-CD2 3.74Å; V290-W302 HydrophobicContact CG2-CE3 3.29Å; V290-W302 HydrophobicContact CG2-CG 4.18Å; V290-W302 HydrophobicContact CG2-CZ3 3.82Å; F300-W302 AromaticContact CE1-CD2 3.7Å; F300-W302 HydrophobicContact CE1-CD2 3.7Å; F300-W302 AromaticContact CE1-CE2 3.48Å; F300-W302 VanDerWaalsContact CE1-CE2 3.48Å; F300-W302 HydrophobicContact CE1-CE3 4.19Å; F300-W302 HydrophobicContact CE1-CG 4.11Å; F300-W302 HydrophobicContact CE1-CH2 4.32Å; F300-W302 AromaticContact CE1-CZ2 3.81Å; F300-W302 HydrophobicContact CE1-CZ2 3.81Å; F300-W302 HydrophobicContact CE1-CZ3 4.49Å; F300-W302 AromaticContact CE1-NE1 3.71Å; F300-W302 AromaticContact CZ-CD2 3.68Å; F300-W302 HydrophobicContact CZ-CD2 3.68Å; F300-W302 AromaticContact CZ-CE2 3.75Å; F300-W302 AromaticContact CZ-CE3 3.68Å; F300-W302 HydrophobicContact CZ-CE3 3.68Å; F300-W302 HydrophobicContact CZ-CG 4.41Å; F300-W302 AromaticContact CZ-CH2 3.87Å; F300-W302 HydrophobicContact CZ-CH2 3.87Å; F300-W302 AromaticContact CZ-CZ2 3.85Å; F300-W302 HydrophobicContact CZ-CZ2 3.85Å; F300-W302 AromaticContact CZ-CZ3 3.79Å; F300-W302 HydrophobicContact CZ-CZ3 3.79Å; W302-A326 HydrophobicContact CH2-CB 3.92Å; W302-A326 HydrophobicContact CZ2-CB 3.92Å
303	D	90.4	Very high	87.1	Confident	28 Å²	28	59.8 Å²	59.8	15%	0.15	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	153.6	172.1	-75.9	-13.6	0	0	0	110.3	V290 R291 K301 Y452	V290-D303 WeakPolarHBondContact CB-O 3.41Å; R291-D303 HydrophobicContact CG-CB 4.2Å; R291-D303 PolarHBondContact N-O 3.01Å; R291-D303 PolarHBondContact O-N 3.21Å; K301-D303 WeakPolarHBondContact CD-OD1 3.34Å; K301-D303 VanDerWaalsContact CE-OD1 3.31Å; K301-D303 WeakPolarHBondContact CE-OD1 3.33Å; K301-D303 IonicContact NZ-OD1 3.37Å; K301-D303 PolarHBondContact NZ-OD1 2.8Å; K301-D303 IonicContact NZ-OD2 3.65Å; K301-D303 PolarHBondContact NZ-OD2 3.46Å; D303-Y452 WeakPolarHBondContact OD2-CE2 3.48Å; D303-Y452 VanDerWaalsContact OD2-CZ 3.27Å; D303-Y452 PolarHBondContact OD2-OH 2.94Å
304	L	87.9	Confident	86.3	Confident	103 Å²	103	64.4 Å²	64.4	54%	0.539	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	148	171.5	-61.3	176.9	0	0	0	110.4
305	V	87.5	Confident	85.7	Confident	15 Å²	15	65 Å²	65	9%	0.091	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-77.3	127.9	173.3	-174.8	0	0	0	0	108.3	V289 R291 M307 E309 L310 I320	V289-V305 HydrophobicContact CG1-CG2 4.22Å; R291-V305 HydrophobicContact CB-CG2 4.46Å; V305-M307 PolarHBondContact O-N 2.68Å; V305-E309 HydrophobicContact CG1-CB 3.94Å; V305-L310 HydrophobicContact CB-CD1 4.33Å; V305-L310 HydrophobicContact CB-CD2 4.42Å; V305-L310 HydrophobicContact CB-CG 4.43Å; V305-L310 HydrophobicContact CG1-CD1 4.39Å; V305-L310 HydrophobicContact CG1-CD2 3.89Å; V305-L310 HydrophobicContact CG1-CG 3.95Å; V305-I320 HydrophobicContact CG1-CD1 4.16Å; V305-I320 HydrophobicContact CG1-CG1 4.22Å; V305-I320 HydrophobicContact CG1-CG2 3.81Å; V305-I320 HydrophobicContact CG2-CD1 4.04Å; V305-I320 HydrophobicContact CG2-CG2 4.09Å
306	P	83.7	Confident	85.3	Confident	32 Å²	32	63.9 Å²	63.9	21%	0.208	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-57.5	137.9	176.2	-24.8	34.4	0	0	0	111.4	R291 S308 E309	R291-P306 VanDerWaalsContact CZ-CD 3.5Å; P306-S308 PolarHBondContact O-N 3.19Å; P306-S308 VanDerWaalsContact O-N 3.13Å; P306-E309 PolarHBondContact O-N 3.5Å
307	M	79.9	Confident	85.2	Confident	114 Å²	114	62.5 Å²	62.5	56%	0.562	34%	0.343	S	S	*	.	H	α-helix	trans	-56	-33.4	-179.9	-73.6	-60.4	-60.6	0	0	112.8	V305 E309 L310 E311	V305-M307 PolarHBondContact O-N 2.68Å; M307-E309 PolarHBondContact O-N 3.45Å; M307-L310 WeakPolarHBondContact O-CA 3.49Å; M307-L310 PolarHBondContact O-N 2.89Å; M307-L310 HydrophobicContact SD-CD1 4.23Å; M307-E311 WeakPolarHBondContact O-CG 3.41Å; M307-E311 PolarHBondContact O-N 3.49Å; M307-E311 VanDerWaalsContact O-N 3.13Å
308	S	79	Confident	85.1	Confident	95 Å²	95	62.9 Å²	62.9	66%	0.664	35%	0.345	S	S	*	.	H	α-helix	trans	-59.9	-26.6	175.4	56.4	0	0	0	0	114	P306 L310	P306-S308 PolarHBondContact O-N 3.19Å; P306-S308 VanDerWaalsContact O-N 3.13Å; S308-L310 VanDerWaalsContact C-N 3.33Å
309	E	77.2	Confident	85.1	Confident	56 Å²	56	65.7 Å²	65.7	26%	0.262	36%	0.363	S	S	.	.	H	α-helix	trans	-82.1	-13.2	174.1	-66.7	-168.5	-134.7	0	0	112.4	R291 V305 P306 M307 K321	R291-E309 IonicContact NH1-OE1 2.63Å; R291-E309 PolarHBondContact NH1-OE1 3.39Å; R291-E309 VanDerWaalsContact NH1-OE1 3.16Å; V305-E309 HydrophobicContact CG1-CB 3.94Å; P306-E309 PolarHBondContact O-N 3.5Å; M307-E309 PolarHBondContact O-N 3.45Å; E309-K321 PolarHBondContact OE2-N 3.19Å
310	L	79	Confident	85.3	Confident	48 Å²	48	61.4 Å²	61.4	25%	0.251	34%	0.343	S	S	.	.	H	α-helix	trans	-104.9	-9.4	-177.2	-59.9	177	0	0	0	113.8	V305 M307 S308 G315	V305-L310 HydrophobicContact CB-CD1 4.33Å; V305-L310 HydrophobicContact CB-CD2 4.42Å; V305-L310 HydrophobicContact CB-CG 4.43Å; V305-L310 HydrophobicContact CG1-CD1 4.39Å; V305-L310 HydrophobicContact CG1-CD2 3.89Å; V305-L310 HydrophobicContact CG1-CG 3.95Å; M307-L310 WeakPolarHBondContact O-CA 3.49Å; M307-L310 PolarHBondContact O-N 2.89Å; M307-L310 HydrophobicContact SD-CD1 4.23Å; S308-L310 VanDerWaalsContact C-N 3.33Å; L310-G315 VanDerWaalsContact O-CA 3.28Å; L310-G315 WeakPolarHBondContact O-CA 3.33Å
311	E	76.2	Confident	85.3	Confident	144 Å²	144	64.4 Å²	64.4	67%	0.673	36%	0.356	S	S	*	.	S	Bend	trans	-89	-0.5	-175	-77	169.5	-173.7	0	0	114.2	M307	M307-E311 WeakPolarHBondContact O-CG 3.41Å; M307-E311 PolarHBondContact O-N 3.49Å; M307-E311 VanDerWaalsContact O-N 3.13Å
312	G	76.6	Confident	85.5	Confident	40 Å²	40	60.8 Å²	60.8	41%	0.412	34%	0.341	S	S	.	.	S	Bend	trans	-73.2	173.4	178.2	0	0	0	0	0	114.3	E314 G315	G312-E314 VanDerWaalsContact C-N 3.27Å; G312-E314 PolarHBondContact O-N 3.3Å; G312-G315 WeakPolarHBondContact O-CA 3.38Å; G312-G315 PolarHBondContact O-N 2.93Å
313	P	75.8	Confident	85.8	Confident	141 Å²	141	55.8 Å²	55.8	92%	0.916	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.2	179.7	-24	33.1	0	0	0	114	G315	P313-G315 VanDerWaalsContact C-N 3.28Å
314	E	78.8	Confident	86.2	Confident	97 Å²	97	54.4 Å²	54.4	45%	0.453	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-12	175.5	-70.3	-166.4	-155.7	0	0	113.5	K144 G312 A316 T317 A318	K144-E314 IonicContact NZ-OE2 3.59Å; K144-E314 PolarHBondContact NZ-OE2 3.02Å; G312-E314 VanDerWaalsContact C-N 3.27Å; G312-E314 PolarHBondContact O-N 3.3Å; E314-A316 PolarHBondContact O-N 3.17Å; E314-T317 PolarHBondContact O-N 3.31Å; E314-T317 PolarHBondContact O-OG1 2.8Å; E314-A318 HydrophobicContact CB-CB 3.76Å
315	G	83.9	Confident	86.6	Confident	11 Å²	11	49.7 Å²	49.7	11%	0.113	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	49	-132.4	179.4	0	0	0	0	0	113.6	L310 G312 P313 T317 A318	L310-G315 VanDerWaalsContact O-CA 3.28Å; L310-G315 WeakPolarHBondContact O-CA 3.33Å; G312-G315 WeakPolarHBondContact O-CA 3.38Å; G312-G315 PolarHBondContact O-N 2.93Å; P313-G315 VanDerWaalsContact C-N 3.28Å; G315-T317 PolarHBondContact O-N 3.32Å; G315-A318 WeakPolarHBondContact O-CB 3.47Å; G315-A318 PolarHBondContact O-N 3.22Å
316	A	83.4	Confident	87	Confident	43 Å²	43	50.6 Å²	50.6	36%	0.355	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-67.3	-2.1	179.2	0	0	0	0	0	115.3	E314 P372	E314-A316 PolarHBondContact O-N 3.17Å; A316-P372 WeakPolarHBondContact O-CB 3.39Å; A316-P372 WeakPolarHBondContact O-CG 3.48Å
317	T	90.6	Very high	87.3	Confident	6 Å²	6	49.1 Å²	49.1	4%	0.037	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-101.3	-2.6	177.2	70.9	0	0	0	0	113.9	D138 K140 K144 E314 G315	D138-T317 HydrophobicContact CB-CG2 3.88Å; K140-T317 HydrophobicContact CB-CG2 3.82Å; K144-T317 VanDerWaalsContact CE-OG1 3.3Å; K144-T317 WeakPolarHBondContact CE-OG1 3.37Å; K144-T317 PolarHBondContact NZ-O 2.89Å; K144-T317 PolarHBondContact NZ-OG1 3.39Å; E314-T317 PolarHBondContact O-N 3.31Å; E314-T317 PolarHBondContact O-OG1 2.8Å; G315-T317 PolarHBondContact O-N 3.32Å
318	A	91.6	Very high	87.9	Confident	19 Å²	19	44.1 Å²	44.1	16%	0.157	27%	0.267	C	S	.	.	S	Bend	trans	-69.5	149.3	177	0	0	0	0	0	111.3	E314 G315 I320 P372	E314-A318 HydrophobicContact CB-CB 3.76Å; G315-A318 WeakPolarHBondContact O-CB 3.47Å; G315-A318 PolarHBondContact O-N 3.22Å; A318-I320 PolarHBondContact O-N 3.13Å; A318-P372 WeakPolarHBondContact O-CD 3.49Å; A318-P372 VanDerWaalsContact O-CG 3.31Å; A318-P372 WeakPolarHBondContact O-CG 3.43Å
319	P	94.8	Very high	88.8	Confident	58 Å²	58	39.8 Å²	39.8	38%	0.377	24%	0.236	S	C	.	.			trans	-58.8	129.7	166.5	-24.3	35.3	0	0	0	111.8	L369 I371	P319-L369 HydrophobicContact CB-CD1 4.03Å; P319-I371 HydrophobicContact CB-CD1 3.71Å; P319-I371 HydrophobicContact CG-CD1 4.03Å
320	I	95	Very high	89.8	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134	-174.9	-67.2	158.6	0	0	0	109.7	V289 R291 V305 A318 S322 L369 I370 P372	V289-I320 HydrophobicContact CG1-CD1 3.21Å; R291-I320 HydrophobicContact CB-CG2 4.26Å; V305-I320 HydrophobicContact CG1-CD1 4.16Å; V305-I320 HydrophobicContact CG1-CG1 4.22Å; V305-I320 HydrophobicContact CG1-CG2 3.81Å; V305-I320 HydrophobicContact CG2-CD1 4.04Å; V305-I320 HydrophobicContact CG2-CG2 4.09Å; A318-I320 PolarHBondContact O-N 3.13Å; I320-S322 PolarHBondContact O-N 2.82Å; I320-L369 CarbonylContact O-C 3.2Å; I320-L369 WeakPolarHBondContact O-CA 3.19Å; I320-I370 HydrophobicContact CB-CB 4.49Å; I320-I370 PolarHBondContact N-O 3.22Å; I320-I370 PolarHBondContact O-N 2.83Å; I320-P372 HydrophobicContact CD1-CG 3.74Å; I320-P372 HydrophobicContact CG1-CG 4.43Å
321	K	95.3	Very high	90.8	Very high	117 Å²	117	35 Å²	35	51%	0.509	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	127.2	176	-70	-180	-176.2	174.8	0	109.5	E309 W362 L369	E309-K321 PolarHBondContact OE2-N 3.19Å; K321-W362 HydrophobicContact CB-CH2 4.43Å; K321-W362 HydrophobicContact CB-CZ2 4.38Å; K321-W362 HydrophobicContact CD-CH2 4.29Å; K321-W362 HydrophobicContact CG-CH2 4.24Å; K321-L369 HydrophobicContact CG-CD2 3.97Å
322	S	97.2	Very high	91.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.007	18%	0.18	C	C	.	.			trans	-115.5	119.3	-178.7	-162	0	0	0	0	110.4	G292 I320 T324 W362 L368	G292-S322 PolarHBondContact N-OG 3.43Å; I320-S322 PolarHBondContact O-N 2.82Å; S322-T324 VanDerWaalsContact C-N 3.26Å; S322-T324 WeakPolarHBondContact CB-O 3.24Å; S322-T324 PolarHBondContact O-N 3.4Å; S322-T324 PolarHBondContact OG-O 3.4Å; S322-W362 PolarHBondContact O-NE1 2.9Å; S322-L368 PolarHBondContact N-O 3.12Å
323	P	97.8	Very high	92.9	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	16%	0.162	C	C	.	.	S	Bend	trans	-53.2	-45	174.2	-28.7	33.5	0	0	0	112.7	G292 W362 Y447 I451 Y452	G292-P323 WeakPolarHBondContact O-CB 3.05Å; G292-P323 WeakPolarHBondContact O-CD 3.49Å; P323-W362 PolarHBondContact O-NE1 3.22Å; P323-Y447 WeakPolarHBondContact CB-OH 3.23Å; P323-Y447 PolarHBondContact O-OH 3.24Å; P323-I451 HydrophobicContact CB-CG2 4.4Å; P323-Y452 HydrophobicContact CB-CD1 4.03Å; P323-Y452 HydrophobicContact CB-CD2 4.08Å; P323-Y452 HydrophobicContact CB-CG 3.77Å; P323-Y452 HydrophobicContact CG-CD1 4.46Å; P323-Y452 HydrophobicContact CG-CD2 3.6Å; P323-Y452 HydrophobicContact CG-CE2 4.12Å; P323-Y452 HydrophobicContact CG-CG 3.8Å
324	T	98.3	Very high	94	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-132.4	170.8	178.2	72.6	0	0	0	0	111.3	G292 G293 F294 S322 L355 S358 F359	G292-T324 WeakPolarHBondContact CA-O 3.45Å; G292-T324 PolarHBondContact O-N 3.07Å; G292-T324 PolarHBondContact O-OG1 3.4Å; G293-T324 WeakPolarHBondContact CA-OG1 3.21Å; G293-T324 PolarHBondContact N-OG1 3.09Å; G293-T324 VanDerWaalsContact N-OG1 3.16Å; G293-T324 PolarHBondContact O-OG1 3.03Å; F294-T324 HydrophobicContact CD1-CG2 3.77Å; S322-T324 VanDerWaalsContact C-N 3.26Å; S322-T324 WeakPolarHBondContact CB-O 3.24Å; S322-T324 PolarHBondContact O-N 3.4Å; S322-T324 PolarHBondContact OG-O 3.4Å; T324-L355 HydrophobicContact CG2-CD2 3.72Å; T324-S358 WeakPolarHBondContact CA-OG 3.21Å; T324-F359 HydrophobicContact CG2-CE1 4.1Å
325	M	97.6	Very high	95	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.02	13%	0.133	C	C	.	.			trans	-118.7	157	167.8	57.6	166.7	171.8	0	0	111.6	C271 F300 G327 F330 N354 I357 S358 L368	C271-M325 VanDerWaalsContact SG-CB 3.58Å; F300-M325 WeakPolarHBondContact CD2-O 3.43Å; F300-M325 VanDerWaalsContact CE2-C 3.41Å; M325-G327 PolarHBondContact O-N 2.85Å; M325-F330 HydrophobicContact CE-CD1 4.07Å; M325-F330 HydrophobicContact CE-CD2 4.29Å; M325-F330 HydrophobicContact CE-CE1 4.12Å; M325-F330 HydrophobicContact CE-CE2 4.32Å; M325-F330 HydrophobicContact CE-CG 4.15Å; M325-F330 HydrophobicContact CE-CZ 4.24Å; M325-F330 HydrophobicContact SD-CB 3.88Å; M325-F330 HydrophobicContact SD-CD1 3.85Å; M325-F330 HydrophobicContact SD-CD2 4.35Å; M325-F330 HydrophobicContact SD-CE1 4.48Å; M325-F330 HydrophobicContact SD-CG 3.78Å; M325-N354 WeakPolarHBondContact O-CB 3.39Å; M325-N354 PolarHBondContact O-ND2 2.84Å; M325-I357 HydrophobicContact CE-CB 4.46Å; M325-I357 HydrophobicContact CE-CG2 3.16Å; M325-S358 PolarHBondContact N-OG 2.96Å; M325-L368 HydrophobicContact CB-CD1 4.36Å; M325-L368 HydrophobicContact CB-CD2 4.08Å; M325-L368 HydrophobicContact CG-CD2 4.24Å; M325-L368 HydrophobicContact SD-CD1 4.44Å
326	A	95.2	Very high	95.7	Very high	33 Å²	33	23.2 Å²	23.2	27%	0.273	13%	0.129	S	C	.	.			trans	-61.7	-29.2	171	0	0	0	0	0	111.6	I274 F300 W302 G328 N354	I274-A326 HydrophobicContact CD1-CB 4Å; F300-A326 HydrophobicContact CE1-CB 4.02Å; F300-A326 HydrophobicContact CE2-CB 4.29Å; F300-A326 HydrophobicContact CZ-CB 3.83Å; W302-A326 HydrophobicContact CH2-CB 3.92Å; W302-A326 HydrophobicContact CZ2-CB 3.92Å; A326-G328 VanDerWaalsContact C-N 3.34Å; A326-G328 PolarHBondContact O-N 3.02Å; A326-N354 WeakPolarHBondContact O-CB 3.17Å
327	G	91.2	Very high	96.4	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.01	11%	0.112	C	C	.	.	S	Bend	trans	92.2	-25.5	174.9	0	0	0	0	0	114.1	R229 M325	R229-G327 VanDerWaalsContact CZ-O 3.26Å; R229-G327 PolarHBondContact NH1-O 2.81Å; R229-G327 PolarHBondContact NH2-O 3.09Å; M325-G327 PolarHBondContact O-N 2.85Å
328	G	91.4	Very high	96.8	Very high	10 Å²	10	24.1 Å²	24.1	10%	0.103	13%	0.127	C	C	.	.	S	Bend	trans	-58.1	-49.3	178.7	0	0	0	0	0	113.6	R229 D245 A326	R229-G328 VanDerWaalsContact NH2-CA 3.3Å; R229-G328 PolarHBondContact NH2-O 2.78Å; D245-G328 WeakPolarHBondContact OD2-CA 3.43Å; A326-G328 VanDerWaalsContact C-N 3.34Å; A326-G328 PolarHBondContact O-N 3.02Å
329	L	98.2	Very high	97	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	14%	0.137	C	C	.	.	S	Bend	trans	-129.3	118.6	-169.6	-63.7	76.2	0	0	0	110.9	F243 L244 P272 I274 V376	F243-L329 WeakPolarHBondContact O-CA 3.48Å; L244-L329 HydrophobicContact CD2-CB 4.31Å; L244-L329 HydrophobicContact CD2-CD2 3.81Å; L244-L329 HydrophobicContact CD2-CG 3.92Å; P272-L329 HydrophobicContact CG-CB 3.93Å; P272-L329 HydrophobicContact CG-CD2 4.3Å; I274-L329 HydrophobicContact CD1-CD1 4.22Å; L329-V376 HydrophobicContact CD2-CB 3.53Å; L329-V376 HydrophobicContact CD2-CG1 3.31Å; L329-V376 HydrophobicContact CD2-CG2 4.22Å
330	F	98.8	Very high	97.2	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.009	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	161.5	175.5	68.8	-79	0	0	0	111.8	F243 V269 V270 M325 M332 Y343	F243-F330 HydrophobicContact CB-CD1 4.11Å; F243-F330 HydrophobicContact CB-CE1 3.86Å; F243-F330 HydrophobicContact CB-CZ 4.38Å; F243-F330 HydrophobicContact CD2-CD1 4.16Å; F243-F330 HydrophobicContact CD2-CD2 4.09Å; F243-F330 AromaticContact CD2-CE1 3.54Å; F243-F330 HydrophobicContact CD2-CE1 3.54Å; F243-F330 AromaticContact CD2-CE2 3.46Å; F243-F330 HydrophobicContact CD2-CE2 3.46Å; F243-F330 VanDerWaalsContact CD2-CE2 3.46Å; F243-F330 HydrophobicContact CD2-CG 4.41Å; F243-F330 AromaticContact CD2-CZ 3.15Å; F243-F330 HydrophobicContact CD2-CZ 3.15Å; F243-F330 HydrophobicContact CE2-CE1 4.31Å; F243-F330 AromaticContact CE2-CE2 3.71Å; F243-F330 HydrophobicContact CE2-CE2 3.71Å; F243-F330 AromaticContact CE2-CZ 3.51Å; F243-F330 HydrophobicContact CE2-CZ 3.51Å; F243-F330 HydrophobicContact CG-CD1 4.5Å; F243-F330 AromaticContact CG-CE1 3.87Å; F243-F330 HydrophobicContact CG-CE1 3.87Å; F243-F330 AromaticContact CG-CZ 3.91Å; F243-F330 HydrophobicContact CG-CZ 3.91Å; F243-F330 HydrophobicContact CZ-CZ 4.49Å; F243-F330 PolarHBondContact N-O 3.35Å; F243-F330 PolarHBondContact O-N 2.63Å; V269-F330 HydrophobicContact CG1-CD2 3.83Å; V270-F330 CarbonylContact O-C 3.47Å; V270-F330 VanDerWaalsContact O-CA 3.24Å; V270-F330 WeakPolarHBondContact O-CA 3.3Å; V270-F330 WeakPolarHBondContact O-CB 3.35Å; M325-F330 HydrophobicContact CE-CD1 4.07Å; M325-F330 HydrophobicContact CE-CD2 4.29Å; M325-F330 HydrophobicContact CE-CE1 4.12Å; M325-F330 HydrophobicContact CE-CE2 4.32Å; M325-F330 HydrophobicContact CE-CG 4.15Å; M325-F330 HydrophobicContact CE-CZ 4.24Å; M325-F330 HydrophobicContact SD-CB 3.88Å; M325-F330 HydrophobicContact SD-CD1 3.85Å; M325-F330 HydrophobicContact SD-CD2 4.35Å; M325-F330 HydrophobicContact SD-CE1 4.48Å; M325-F330 HydrophobicContact SD-CG 3.78Å; F330-M332 HydrophobicContact CD2-CG 4.41Å; F330-M332 HydrophobicContact CD2-SD 4.37Å; F330-M332 HydrophobicContact CE2-CG 4.07Å; F330-M332 HydrophobicContact CE2-SD 3.67Å; F330-Y343 VanDerWaalsContact CE1-OH 3.25Å; F330-Y343 WeakPolarHBondContact CE1-OH 3.5Å; F330-Y343 VanDerWaalsContact CZ-OH 3.27Å; F330-Y343 WeakPolarHBondContact CZ-OH 3.42Å
331	A	98.9	Very high	97.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.4	173.5	0	0	0	0	0	111.3	V240 L241 V242 L258 I262 V270	V240-A331 HydrophobicContact CG1-CB 4.09Å; L241-A331 CarbonylContact O-C 3.55Å; L241-A331 WeakPolarHBondContact O-CA 3.43Å; V242-A331 HydrophobicContact CB-CB 4.44Å; V242-A331 HydrophobicContact CG1-CB 4.39Å; V242-A331 HydrophobicContact CG2-CB 3.85Å; L258-A331 HydrophobicContact CB-CB 4.41Å; I262-A331 HydrophobicContact CD1-CB 3.84Å; V270-A331 HydrophobicContact CG2-CB 3.82Å; V270-A331 PolarHBondContact N-O 3.41Å; V270-A331 PolarHBondContact O-N 3.09Å
332	M	98.8	Very high	97.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	157.6	175.9	65.9	-178.6	-59.6	0	0	112.5	V240 L241 V269 F330 R334 Y336 F337 L340	V240-M332 WeakPolarHBondContact CG1-O 3.35Å; L241-M332 PolarHBondContact N-O 3.48Å; L241-M332 PolarHBondContact O-N 3.27Å; V269-M332 HydrophobicContact CB-CB 4.41Å; V269-M332 HydrophobicContact CG1-CB 4.22Å; V269-M332 HydrophobicContact CG2-CB 3.87Å; V269-M332 HydrophobicContact CG2-CE 4.05Å; V269-M332 HydrophobicContact CG2-SD 4.46Å; F330-M332 HydrophobicContact CD2-CG 4.41Å; F330-M332 HydrophobicContact CD2-SD 4.37Å; F330-M332 HydrophobicContact CE2-CG 4.07Å; F330-M332 HydrophobicContact CE2-SD 3.67Å; M332-R334 PolarHBondContact O-N 3.28Å; M332-Y336 HydrophobicContact CE-CD1 3.81Å; M332-Y336 HydrophobicContact CE-CE1 4.43Å; M332-F337 HydrophobicContact CE-CB 3.55Å; M332-F337 HydrophobicContact CE-CD2 3.92Å; M332-F337 HydrophobicContact CE-CG 4.24Å; M332-F337 HydrophobicContact CG-CB 4.28Å; M332-F337 HydrophobicContact SD-CB 3.77Å; M332-F337 HydrophobicContact SD-CD2 3.41Å; M332-F337 WeakPolarHBondContact SD-CD2 3.37Å; M332-F337 HydrophobicContact SD-CE2 4.36Å; M332-F337 HydrophobicContact SD-CG 3.97Å; M332-L340 HydrophobicContact CE-CD1 4.3Å
333	D	98.9	Very high	97.5	Very high	5 Å²	5	22 Å²	22	3%	0.027	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	133.7	172.3	179.8	-91.4	0	0	0	111.5	I262 R266 E335 Y336 F337	I262-D333 HydrophobicContact CG2-CB 4.03Å; R266-D333 HydrophobicContact CB-CB 4.07Å; R266-D333 IonicContact NH1-OD1 3.95Å; R266-D333 WeakPolarHBondContact O-CB 3.43Å; D333-E335 WeakPolarHBondContact OD1-CA 3.38Å; D333-E335 WeakPolarHBondContact OD1-CB 3.2Å; D333-E335 PolarHBondContact OD1-N 2.67Å; D333-Y336 PolarHBondContact O-N 3.16Å; D333-Y336 PolarHBondContact OD1-N 2.84Å; D333-F337 PolarHBondContact O-N 3.26Å
334	R	98.8	Very high	97.5	Very high	67 Å²	67	22.1 Å²	22.1	25%	0.253	12%	0.116	S	C	.	.	H	α-helix	trans	-66.4	-38.4	-175.4	-177.5	176.9	59.9	74.1	12.2	112.4	A236 G238 K239 L241 M332 F337 N338	A236-R334 WeakPolarHBondContact O-CD 3.13Å; G238-R334 WeakPolarHBondContact O-CD 3.41Å; G238-R334 PolarHBondContact O-NE 3.16Å; K239-R334 WeakPolarHBondContact O-CB 3.3Å; K239-R334 PolarHBondContact O-N 2.93Å; L241-R334 HydrophobicContact CD1-CB 4.31Å; L241-R334 HydrophobicContact CD1-CG 4.13Å; L241-R334 HydrophobicContact CD2-CB 4Å; L241-R334 HydrophobicContact CD2-CG 3.81Å; L241-R334 HydrophobicContact CG-CB 3.81Å; L241-R334 HydrophobicContact CG-CG 3.97Å; M332-R334 PolarHBondContact O-N 3.28Å; R334-F337 PolarHBondContact O-N 2.7Å; R334-N338 PolarHBondContact O-N 3.12Å; R334-N338 PolarHBondContact O-ND2 2.95Å; R334-N338 VanDerWaalsContact O-ND2 3.07Å
335	E	98.6	Very high	97.4	Very high	109 Å²	109	25.1 Å²	25.1	51%	0.509	14%	0.137	S	C	.	.	H	α-helix	trans	-69.9	-41.3	178.4	-64.1	-178.6	174.1	0	0	110.1	D333 F337 N338 E339	D333-E335 WeakPolarHBondContact OD1-CA 3.38Å; D333-E335 WeakPolarHBondContact OD1-CB 3.2Å; D333-E335 PolarHBondContact OD1-N 2.67Å; E335-F337 VanDerWaalsContact C-N 3.32Å; E335-F337 PolarHBondContact O-N 2.61Å; E335-N338 PolarHBondContact O-N 2.94Å; E335-N338 VanDerWaalsContact O-N 3.14Å; E335-E339 WeakPolarHBondContact O-CG 3.17Å; E335-E339 PolarHBondContact O-N 3.04Å
336	Y	98.7	Very high	97.3	Very high	5 Å²	5	25.8 Å²	25.8	2%	0.02	15%	0.145	C	C	.	.	H	α-helix	trans	-61.7	-38.1	174.3	-173.1	-126.8	0	0	0	112.6	R267 V269 M332 D333 N338 E339 L340 G366	R267-Y336 HydrophobicContact CB-CD2 4.41Å; R267-Y336 HydrophobicContact CB-CE1 4.12Å; R267-Y336 HydrophobicContact CB-CE2 4.02Å; R267-Y336 HydrophobicContact CG-CD2 3.93Å; R267-Y336 HydrophobicContact CG-CE2 3.74Å; R267-Y336 HydrophobicContact CG-CG 4.47Å; R267-Y336 WeakPolarHBondContact O-CE1 3.48Å; V269-Y336 HydrophobicContact CG2-CD1 4.43Å; V269-Y336 HydrophobicContact CG2-CE1 4.14Å; M332-Y336 HydrophobicContact CE-CD1 3.81Å; M332-Y336 HydrophobicContact CE-CE1 4.43Å; D333-Y336 PolarHBondContact O-N 3.16Å; D333-Y336 PolarHBondContact OD1-N 2.84Å; Y336-N338 VanDerWaalsContact C-N 3.3Å; Y336-N338 PolarHBondContact O-N 3.43Å; Y336-E339 PolarHBondContact O-N 2.96Å; Y336-L340 HydrophobicContact CD1-CD1 4.1Å; Y336-L340 HydrophobicContact CD1-CG 4.48Å; Y336-L340 HydrophobicContact CD2-CG 4.16Å; Y336-L340 HydrophobicContact CE1-CD1 3.51Å; Y336-L340 HydrophobicContact CE1-CG 4.07Å; Y336-L340 HydrophobicContact CE2-CD1 4.08Å; Y336-L340 HydrophobicContact CE2-CD2 3.86Å; Y336-L340 HydrophobicContact CE2-CG 3.71Å; Y336-L340 VanDerWaalsContact CZ-CD1 3.5Å; Y336-L340 WeakPolarHBondContact O-CB 3.18Å; Y336-L340 WeakPolarHBondContact O-CG 2.98Å; Y336-L340 PolarHBondContact O-N 3.04Å; Y336-G366 VanDerWaalsContact OH-CA 3.25Å; Y336-G366 WeakPolarHBondContact OH-CA 3.43Å; Y336-G366 PolarHBondContact OH-N 3.36Å
337	F	98.6	Very high	97.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.2	-42.6	173.1	-178.2	-113.7	0	0	0	112.3	M230 A233 L241 F243 M332 D333 R334 E335 Q342 Y343 I357	M230-F337 HydrophobicContact CG-CZ 4.42Å; A233-F337 HydrophobicContact CB-CD1 4.06Å; A233-F337 HydrophobicContact CB-CE1 3.59Å; L241-F337 HydrophobicContact CD1-CB 4Å; L241-F337 HydrophobicContact CD1-CD1 3.66Å; L241-F337 HydrophobicContact CD1-CE1 4.34Å; L241-F337 HydrophobicContact CD1-CG 3.93Å; F243-F337 HydrophobicContact CZ-CZ 4.41Å; M332-F337 HydrophobicContact CE-CB 3.55Å; M332-F337 HydrophobicContact CE-CD2 3.92Å; M332-F337 HydrophobicContact CE-CG 4.24Å; M332-F337 HydrophobicContact CG-CB 4.28Å; M332-F337 HydrophobicContact SD-CB 3.77Å; M332-F337 HydrophobicContact SD-CD2 3.41Å; M332-F337 WeakPolarHBondContact SD-CD2 3.37Å; M332-F337 HydrophobicContact SD-CE2 4.36Å; M332-F337 HydrophobicContact SD-CG 3.97Å; D333-F337 PolarHBondContact O-N 3.26Å; R334-F337 PolarHBondContact O-N 2.7Å; E335-F337 VanDerWaalsContact C-N 3.32Å; E335-F337 PolarHBondContact O-N 2.61Å; F337-Q342 HydrophobicContact CD1-CB 4.28Å; F337-Q342 HydrophobicContact CD1-CG 3.88Å; F337-Q342 HydrophobicContact CE1-CB 3.64Å; F337-Q342 HydrophobicContact CE1-CG 3.57Å; F337-Q342 HydrophobicContact CE2-CB 4.23Å; F337-Q342 HydrophobicContact CZ-CB 3.63Å; F337-Q342 HydrophobicContact CZ-CG 4.12Å; F337-Q342 WeakPolarHBondContact O-CA 3.48Å; F337-Q342 PolarHBondContact O-N 2.82Å; F337-Y343 HydrophobicContact CE2-CD2 4.14Å; F337-Y343 HydrophobicContact CE2-CE2 4.21Å; F337-Y343 AromaticContact CZ-CD2 3.99Å; F337-Y343 HydrophobicContact CZ-CD2 3.99Å; F337-Y343 HydrophobicContact CZ-CE2 4.3Å; F337-I357 HydrophobicContact CE2-CD1 4.28Å
338	N	98.3	Very high	97.5	Very high	68 Å²	68	26 Å²	26	36%	0.364	14%	0.141	S	C	.	.	H	α-helix	trans	-70.1	-41.1	177.6	-69	-42.8	0	0	0	112.4	R334 E335 Y336 L340 G341 Q342	R334-N338 PolarHBondContact O-N 3.12Å; R334-N338 PolarHBondContact O-ND2 2.95Å; R334-N338 VanDerWaalsContact O-ND2 3.07Å; E335-N338 PolarHBondContact O-N 2.94Å; E335-N338 VanDerWaalsContact O-N 3.14Å; Y336-N338 VanDerWaalsContact C-N 3.3Å; Y336-N338 PolarHBondContact O-N 3.43Å; N338-L340 VanDerWaalsContact C-N 3.33Å; N338-L340 PolarHBondContact O-N 3.42Å; N338-G341 WeakPolarHBondContact O-CA 3.38Å; N338-G341 PolarHBondContact O-N 2.88Å; N338-Q342 PolarHBondContact OD1-NE2 3.25Å
339	E	97.9	Very high	97.4	Very high	75 Å²	75	26.5 Å²	26.5	35%	0.35	14%	0.141	S	C	.	.	H	α-helix	trans	-62.9	-38.5	176.6	-73.3	171.3	-157.9	0	0	112.9	R266 E335 Y336 G341	R266-E339 IonicContact CZ-OE1 3.34Å; R266-E339 IonicContact CZ-OE2 3.16Å; R266-E339 VanDerWaalsContact CZ-OE2 3.32Å; R266-E339 IonicContact NH1-OE1 3.59Å; R266-E339 PolarHBondContact NH1-OE1 3.34Å; R266-E339 IonicContact NH1-OE2 3.52Å; R266-E339 PolarHBondContact NH1-OE2 3.35Å; R266-E339 IonicContact NH2-OE1 2.78Å; R266-E339 PolarHBondContact NH2-OE1 3.32Å; R266-E339 IonicContact NH2-OE2 3.14Å; R266-E339 PolarHBondContact NH2-OE2 3.21Å; E335-E339 WeakPolarHBondContact O-CG 3.17Å; E335-E339 PolarHBondContact O-N 3.04Å; Y336-E339 PolarHBondContact O-N 2.96Å; E339-G341 PolarHBondContact O-N 3.34Å; E339-G341 VanDerWaalsContact O-N 3.13Å
340	L	97.8	Very high	97.1	Very high	3 Å²	3	31 Å²	31	2%	0.016	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-0.6	172.1	-75	-171.9	0	0	0	113.1	M332 Y336 N338 R360 I361 C364 L435 L439	M332-L340 HydrophobicContact CE-CD1 4.3Å; Y336-L340 HydrophobicContact CD1-CD1 4.1Å; Y336-L340 HydrophobicContact CD1-CG 4.48Å; Y336-L340 HydrophobicContact CD2-CG 4.16Å; Y336-L340 HydrophobicContact CE1-CD1 3.51Å; Y336-L340 HydrophobicContact CE1-CG 4.07Å; Y336-L340 HydrophobicContact CE2-CD1 4.08Å; Y336-L340 HydrophobicContact CE2-CD2 3.86Å; Y336-L340 HydrophobicContact CE2-CG 3.71Å; Y336-L340 VanDerWaalsContact CZ-CD1 3.5Å; Y336-L340 WeakPolarHBondContact O-CB 3.18Å; Y336-L340 WeakPolarHBondContact O-CG 2.98Å; Y336-L340 PolarHBondContact O-N 3.04Å; N338-L340 VanDerWaalsContact C-N 3.33Å; N338-L340 PolarHBondContact O-N 3.42Å; L340-R360 HydrophobicContact CD2-CG 4.07Å; L340-R360 WeakPolarHBondContact O-CD 3.49Å; L340-R360 PolarHBondContact O-NE 3.16Å; L340-I361 HydrophobicContact CD1-CG1 3.8Å; L340-C364 HydrophobicContact CD2-CB 4.27Å; L340-L435 WeakPolarHBondContact O-CD2 3.35Å; L340-L439 HydrophobicContact CD2-CD1 4.13Å
341	G	97.8	Very high	96.8	Very high	16 Å²	16	30.9 Å²	30.9	17%	0.165	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	27.9	179.7	0	0	0	0	0	113.6	N338 E339 R432	N338-G341 WeakPolarHBondContact O-CA 3.38Å; N338-G341 PolarHBondContact O-N 2.88Å; E339-G341 PolarHBondContact O-N 3.34Å; E339-G341 VanDerWaalsContact O-N 3.13Å; G341-R432 PolarHBondContact O-NH1 3.31Å
342	Q	97.8	Very high	96.6	Very high	58 Å²	58	30.9 Å²	30.9	27%	0.271	16%	0.157	S	C	.	.	S	Bend	trans	56.8	-133.8	176.4	-55.2	-179.8	-12.2	0	0	112.1	M230 F337 N338 R360	M230-Q342 HydrophobicContact CG-CB 4.13Å; M230-Q342 HydrophobicContact SD-CB 3.93Å; F337-Q342 HydrophobicContact CD1-CB 4.28Å; F337-Q342 HydrophobicContact CD1-CG 3.88Å; F337-Q342 HydrophobicContact CE1-CB 3.64Å; F337-Q342 HydrophobicContact CE1-CG 3.57Å; F337-Q342 HydrophobicContact CE2-CB 4.23Å; F337-Q342 HydrophobicContact CZ-CB 3.63Å; F337-Q342 HydrophobicContact CZ-CG 4.12Å; F337-Q342 WeakPolarHBondContact O-CA 3.48Å; F337-Q342 PolarHBondContact O-N 2.82Å; N338-Q342 PolarHBondContact OD1-NE2 3.25Å; Q342-R360 VanDerWaalsContact O-CZ 3.3Å; Q342-R360 PolarHBondContact O-NH2 2.81Å
343	Y	98.1	Very high	96.5	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.008	16%	0.159	C	C	.	.	S	Bend	trans	-94.3	164.1	164.8	-75.9	-74.1	0	0	0	110.9	I226 R229 M230 F330 F337 S345 E353 I357	I226-Y343 VanDerWaalsContact CG2-CB 3.45Å; I226-Y343 HydrophobicContact CG2-CD1 4.31Å; I226-Y343 HydrophobicContact CG2-CD2 4.37Å; I226-Y343 HydrophobicContact CG2-CG 3.83Å; R229-Y343 HydrophobicContact CB-CD2 4.45Å; R229-Y343 HydrophobicContact CB-CE2 4.09Å; R229-Y343 PolarHBondContact NH1-OH 3.27Å; R229-Y343 VanDerWaalsContact NH1-OH 3.12Å; M230-Y343 HydrophobicContact CG-CD2 4.14Å; F330-Y343 VanDerWaalsContact CE1-OH 3.25Å; F330-Y343 WeakPolarHBondContact CE1-OH 3.5Å; F330-Y343 VanDerWaalsContact CZ-OH 3.27Å; F330-Y343 WeakPolarHBondContact CZ-OH 3.42Å; F337-Y343 HydrophobicContact CE2-CD2 4.14Å; F337-Y343 HydrophobicContact CE2-CE2 4.21Å; F337-Y343 AromaticContact CZ-CD2 3.99Å; F337-Y343 HydrophobicContact CZ-CD2 3.99Å; F337-Y343 HydrophobicContact CZ-CE2 4.3Å; Y343-S345 PolarHBondContact O-N 3.4Å; Y343-S345 VanDerWaalsContact O-N 3.16Å; Y343-E353 HydrophobicContact CD1-CB 4.1Å; Y343-E353 HydrophobicContact CD1-CG 4.46Å; Y343-E353 HydrophobicContact CE1-CB 4.09Å; Y343-E353 HydrophobicContact CE1-CG 4.01Å; Y343-I357 HydrophobicContact CD1-CB 4.4Å; Y343-I357 HydrophobicContact CD1-CD1 4.22Å; Y343-I357 HydrophobicContact CE1-CB 4.08Å; Y343-I357 HydrophobicContact CE1-CD1 3.82Å; Y343-I357 HydrophobicContact CE1-CG2 3.96Å
344	D	98.1	Very high	96.5	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.011	16%	0.16	C	C	.	.			trans	-68.9	107.1	167	179.4	7	0	0	0	110.4	G346 M347 R401 R432	D344-G346 PolarHBondContact O-N 2.87Å; D344-G346 VanDerWaalsContact O-N 3.16Å; D344-G346 PolarHBondContact OD1-N 3.49Å; D344-M347 HydrophobicContact CB-CE 4.38Å; D344-M347 HydrophobicContact CB-CG 3.95Å; D344-M347 HydrophobicContact CB-SD 4.23Å; D344-M347 WeakPolarHBondContact O-CB 3.39Å; D344-M347 PolarHBondContact O-N 3.27Å; D344-R401 IonicContact OD1-CZ 3.28Å; D344-R401 IonicContact OD1-NE 2.77Å; D344-R401 IonicContact OD1-NH2 3.81Å; D344-R401 PolarHBondContact OD1-NH2 3.48Å; D344-R401 IonicContact OD2-CZ 2.65Å; D344-R401 IonicContact OD2-NE 3.47Å; D344-R401 PolarHBondContact OD2-NE 2.94Å; D344-R401 IonicContact OD2-NH2 3.13Å; D344-R401 PolarHBondContact OD2-NH2 3.32Å; D344-R401 VanDerWaalsContact OD2-NH2 3.14Å; D344-R432 HydrophobicContact CB-CG 4.37Å
345	S	96.4	Very high	96.5	Very high	63 Å²	63	28.1 Å²	28.1	44%	0.441	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.6	-179.4	59.5	0	0	0	0	114.4	R227 Y343 M347	R227-S345 VanDerWaalsContact CZ-O 3.29Å; R227-S345 PolarHBondContact NE-O 3.49Å; R227-S345 PolarHBondContact NH2-O 2.83Å; Y343-S345 PolarHBondContact O-N 3.4Å; Y343-S345 VanDerWaalsContact O-N 3.16Å; S345-M347 VanDerWaalsContact C-N 3.31Å
346	G	96.4	Very high	96.5	Very high	19 Å²	19	23 Å²	23	20%	0.196	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-2.1	172.4	0	0	0	0	0	114.3	D344 H397 R401	D344-G346 PolarHBondContact O-N 2.87Å; D344-G346 VanDerWaalsContact O-N 3.16Å; D344-G346 PolarHBondContact OD1-N 3.49Å; G346-H397 PolarHBondContact O-NE2 2.87Å; G346-R401 WeakPolarHBondContact O-CD 3.39Å; G346-R401 PolarHBondContact O-NE 3.26Å
347	M	96.4	Very high	96.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.			trans	-81.6	143.1	170.7	-67.9	-174	167	0	0	111.7	I226 R227 D344 S345 E353 E356 N398 R401 L402	I226-M347 HydrophobicContact CD1-CB 3.32Å; I226-M347 HydrophobicContact CD1-CG 4.35Å; I226-M347 HydrophobicContact CD1-SD 4.2Å; I226-M347 HydrophobicContact CG2-CB 4.49Å; R227-M347 PolarHBondContact NH2-O 3.33Å; R227-M347 VanDerWaalsContact NH2-O 3.16Å; D344-M347 HydrophobicContact CB-CE 4.38Å; D344-M347 HydrophobicContact CB-CG 3.95Å; D344-M347 HydrophobicContact CB-SD 4.23Å; D344-M347 WeakPolarHBondContact O-CB 3.39Å; D344-M347 PolarHBondContact O-N 3.27Å; S345-M347 VanDerWaalsContact C-N 3.31Å; M347-E353 HydrophobicContact SD-CB 3.96Å; M347-E356 HydrophobicContact CE-CB 3.71Å; M347-E356 HydrophobicContact CE-CG 3.64Å; M347-N398 VanDerWaalsContact CA-OD1 3.25Å; M347-N398 WeakPolarHBondContact CA-OD1 3.35Å; M347-N398 HydrophobicContact CB-CB 4.28Å; M347-N398 WeakPolarHBondContact CB-OD1 3.35Å; M347-N398 HydrophobicContact CE-CB 4.25Å; M347-N398 WeakPolarHBondContact CE-O 3.44Å; M347-N398 HydrophobicContact CG-CB 3.96Å; M347-N398 HydrophobicContact SD-CB 4.13Å; M347-R401 HydrophobicContact CE-CB 4.49Å; M347-L402 HydrophobicContact CE-CB 4.18Å
348	D	92.9	Very high	96.5	Very high	39 Å²	39	22.8 Å²	22.8	21%	0.209	12%	0.123	C	C	.	.			trans	-109.7	136.3	-173.3	-66.6	-41.8	0	0	0	112.3	R227 W350 T394 H397 N398	R227-D348 IonicContact CZ-OD1 2.65Å; R227-D348 IonicContact NH1-OD1 3.02Å; R227-D348 PolarHBondContact NH1-OD1 3.46Å; R227-D348 VanDerWaalsContact NH1-OD1 3.14Å; R227-D348 IonicContact NH2-OD1 2.91Å; R227-D348 PolarHBondContact NH2-OD1 3.46Å; D348-W350 VanDerWaalsContact C-N 3.26Å; D348-W350 PolarHBondContact O-N 3.03Å; D348-T394 HydrophobicContact CB-CG2 3.86Å; D348-T394 WeakPolarHBondContact O-CB 3.45Å; D348-H397 IonicContact OD2-CD2 3.29Å; D348-H397 PolarHBondContact OD2-CD2 2.7Å; D348-H397 IonicContact OD2-NE2 2.74Å; D348-H397 PolarHBondContact OD2-NE2 2.86Å; D348-N398 PolarHBondContact N-OD1 2.94Å; D348-N398 PolarHBondContact O-ND2 2.81Å
349	I	90.1	Very high	96.5	Very high	19 Å²	19	19.5 Å²	19.5	10%	0.097	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	53.6	-74.2	170.7	-52.3	-60.6	0	0	0	115	L225 P389 T394	L225-I349 VanDerWaalsContact CB-O 3.31Å; L225-I349 WeakPolarHBondContact CB-O 3.4Å; L225-I349 PolarHBondContact N-O 3.26Å; I349-P389 HydrophobicContact CD1-CG 4.15Å; I349-T394 HydrophobicContact CB-CG2 4.21Å; I349-T394 HydrophobicContact CG1-CG2 4.23Å
350	W	92.3	Very high	96.5	Very high	98 Å²	98	16 Å²	16	37%	0.371	9%	0.089	S	C	.	.	S	Bend	trans	-159.3	144.5	-172.7	-176.1	96	0	0	0	110.5	D348 T394 M395 N398	D348-W350 VanDerWaalsContact C-N 3.26Å; D348-W350 PolarHBondContact O-N 3.03Å; W350-T394 PolarHBondContact O-OG1 2.96Å; W350-T394 VanDerWaalsContact O-OG1 3.12Å; W350-M395 HydrophobicContact CE3-SD 4.42Å; W350-M395 HydrophobicContact CZ3-SD 3.79Å; W350-N398 PolarHBondContact O-ND2 3.46Å
351	G	91.9	Very high	96.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	114.8	137	163.5	0	0	0	0	0	112.7	E353 M395 N398	G351-E353 WeakPolarHBondContact CA-OE2 3.23Å; G351-E353 PolarHBondContact N-OE2 2.97Å; G351-E353 PolarHBondContact O-N 3.15Å; G351-E353 VanDerWaalsContact O-N 3.11Å; G351-M395 VanDerWaalsContact C-SD 3.58Å; G351-M395 WeakPolarHBondContact CA-SD 3.42Å; G351-N398 WeakPolarHBondContact O-CB 3.48Å; G351-N398 PolarHBondContact O-ND2 3.46Å
352	G	94.8	Very high	96.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	76.7	-16.7	176.5	0	0	0	0	0	114.6	N354 L355 E356 M395	G352-N354 PolarHBondContact O-N 2.95Å; G352-L355 PolarHBondContact O-N 3.5Å; G352-E356 WeakPolarHBondContact O-CB 3.49Å; G352-E356 PolarHBondContact O-N 2.93Å; G352-M395 PolarHBondContact N-SD 3.25Å
353	E	97.3	Very high	96.7	Very high	5 Å²	5	13 Å²	13	2%	0.023	7%	0.07	C	C	.	.	H	α-helix	trans	-62.8	-34.5	-179.3	80.1	-68	162.7	0	0	112.1	I226 Y343 M347 G351 E356 I357	I226-E353 HydrophobicContact CD1-CB 3.75Å; I226-E353 HydrophobicContact CD1-CG 4.32Å; I226-E353 HydrophobicContact CG1-CB 3.86Å; I226-E353 HydrophobicContact CG1-CG 3.97Å; Y343-E353 HydrophobicContact CD1-CB 4.1Å; Y343-E353 HydrophobicContact CD1-CG 4.46Å; Y343-E353 HydrophobicContact CE1-CB 4.09Å; Y343-E353 HydrophobicContact CE1-CG 4.01Å; M347-E353 HydrophobicContact SD-CB 3.96Å; G351-E353 WeakPolarHBondContact CA-OE2 3.23Å; G351-E353 PolarHBondContact N-OE2 2.97Å; G351-E353 PolarHBondContact O-N 3.15Å; G351-E353 VanDerWaalsContact O-N 3.11Å; E353-E356 PolarHBondContact O-N 3.42Å; E353-I357 VanDerWaalsContact O-CG2 3.24Å; E353-I357 WeakPolarHBondContact O-CG2 3.49Å; E353-I357 PolarHBondContact O-N 2.91Å; E353-I357 VanDerWaalsContact O-N 3.1Å
354	N	97.8	Very high	96.7	Very high	10 Å²	10	13.7 Å²	13.7	5%	0.053	8%	0.075	C	C	.	.	H	α-helix	trans	-68.3	-39.3	179.9	68.5	-54.1	0	0	0	111.5	M325 A326 G352 S358	M325-N354 WeakPolarHBondContact O-CB 3.39Å; M325-N354 PolarHBondContact O-ND2 2.84Å; A326-N354 WeakPolarHBondContact O-CB 3.17Å; G352-N354 PolarHBondContact O-N 2.95Å; N354-S358 WeakPolarHBondContact O-CB 3.31Å; N354-S358 PolarHBondContact O-N 2.79Å; N354-S358 PolarHBondContact O-OG 3.42Å
355	L	98.4	Very high	96.6	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-71.3	-41.2	174.2	-60.5	-171.7	0	0	0	111	F294 L298 T324 G352 I357 S358 F359 L402	F294-L355 HydrophobicContact CB-CD1 3.93Å; F294-L355 HydrophobicContact CB-CD2 3.79Å; F294-L355 HydrophobicContact CG-CD1 4.42Å; F294-L355 HydrophobicContact CG-CD2 4.46Å; L298-L355 HydrophobicContact CB-CD1 4.19Å; L298-L355 HydrophobicContact CD2-CD1 4.46Å; L298-L355 VanDerWaalsContact O-CD1 3.23Å; L298-L355 WeakPolarHBondContact O-CD1 3.41Å; T324-L355 HydrophobicContact CG2-CD2 3.72Å; G352-L355 PolarHBondContact O-N 3.5Å; L355-I357 PolarHBondContact O-N 3.04Å; L355-S358 WeakPolarHBondContact O-CB 3.32Å; L355-S358 PolarHBondContact O-N 2.84Å; L355-F359 HydrophobicContact CB-CZ 4.43Å; L355-F359 WeakPolarHBondContact O-CD1 3.42Å; L355-F359 VanDerWaalsContact O-CG 3.29Å; L355-F359 WeakPolarHBondContact O-CG 3.22Å; L355-F359 PolarHBondContact O-N 2.91Å; L355-L402 HydrophobicContact CB-CD1 3.47Å; L355-L402 VanDerWaalsContact CB-CD1 3.47Å
356	E	98.6	Very high	96.7	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-59.8	-52.5	-176.8	-168.3	-88.2	160.4	0	0	111.4	M347 G352 E353 S358 F359 R360 L402 W406	M347-E356 HydrophobicContact CE-CB 3.71Å; M347-E356 HydrophobicContact CE-CG 3.64Å; G352-E356 WeakPolarHBondContact O-CB 3.49Å; G352-E356 PolarHBondContact O-N 2.93Å; E353-E356 PolarHBondContact O-N 3.42Å; E356-S358 VanDerWaalsContact C-N 3.31Å; E356-S358 PolarHBondContact O-N 3.02Å; E356-F359 PolarHBondContact O-N 2.87Å; E356-R360 VanDerWaalsContact CD-NH1 3.28Å; E356-R360 WeakPolarHBondContact O-CB 3.31Å; E356-R360 PolarHBondContact O-N 3.32Å; E356-R360 IonicContact OE1-CZ 3.8Å; E356-R360 IonicContact OE1-NH1 3.32Å; E356-R360 PolarHBondContact OE1-NH1 3.05Å; E356-R360 IonicContact OE1-NH2 3.78Å; E356-R360 IonicContact OE2-CZ 3.47Å; E356-R360 VanDerWaalsContact OE2-CZ 3.26Å; E356-R360 IonicContact OE2-NH1 3.12Å; E356-R360 PolarHBondContact OE2-NH1 2.91Å; E356-R360 VanDerWaalsContact OE2-NH1 3.09Å; E356-R360 IonicContact OE2-NH2 3.14Å; E356-R360 PolarHBondContact OE2-NH2 2.87Å; E356-L402 VanDerWaalsContact CA-CD1 3.47Å; E356-L402 HydrophobicContact CB-CB 4.28Å; E356-L402 HydrophobicContact CB-CD1 3.8Å; E356-L402 HydrophobicContact CB-CG 4.25Å; E356-L402 HydrophobicContact CG-CB 4.28Å; E356-L402 HydrophobicContact CG-CG 4.5Å; E356-W406 PolarHBondContact OE1-NE1 2.79Å
357	I	98.5	Very high	96.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68.5	-32.6	179.4	-165.3	169.9	0	0	0	111.4	M325 F337 Y343 E353 L355 R360 I361	M325-I357 HydrophobicContact CE-CB 4.46Å; M325-I357 HydrophobicContact CE-CG2 3.16Å; F337-I357 HydrophobicContact CE2-CD1 4.28Å; Y343-I357 HydrophobicContact CD1-CB 4.4Å; Y343-I357 HydrophobicContact CD1-CD1 4.22Å; Y343-I357 HydrophobicContact CE1-CB 4.08Å; Y343-I357 HydrophobicContact CE1-CD1 3.82Å; Y343-I357 HydrophobicContact CE1-CG2 3.96Å; E353-I357 VanDerWaalsContact O-CG2 3.24Å; E353-I357 WeakPolarHBondContact O-CG2 3.49Å; E353-I357 PolarHBondContact O-N 2.91Å; E353-I357 VanDerWaalsContact O-N 3.1Å; L355-I357 PolarHBondContact O-N 3.04Å; I357-R360 PolarHBondContact O-N 2.94Å; I357-I361 HydrophobicContact CG1-CD1 4Å; I357-I361 HydrophobicContact CG1-CG1 4.31Å; I357-I361 WeakPolarHBondContact O-CB 3.5Å; I357-I361 WeakPolarHBondContact O-CD1 3.3Å; I357-I361 WeakPolarHBondContact O-CG1 3.36Å; I357-I361 PolarHBondContact O-N 2.98Å
358	S	98.8	Very high	96.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63	-46.5	175.9	-62.5	0	0	0	0	111.7	T324 M325 N354 L355 E356 R360 I361 W362	T324-S358 WeakPolarHBondContact CA-OG 3.21Å; M325-S358 PolarHBondContact N-OG 2.96Å; N354-S358 WeakPolarHBondContact O-CB 3.31Å; N354-S358 PolarHBondContact O-N 2.79Å; N354-S358 PolarHBondContact O-OG 3.42Å; L355-S358 WeakPolarHBondContact O-CB 3.32Å; L355-S358 PolarHBondContact O-N 2.84Å; E356-S358 VanDerWaalsContact C-N 3.31Å; E356-S358 PolarHBondContact O-N 3.02Å; S358-R360 VanDerWaalsContact C-N 3.35Å; S358-I361 PolarHBondContact O-N 3.49Å; S358-W362 PolarHBondContact O-N 2.95Å
359	F	98.6	Very high	97.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.1	-46	176.4	-64.7	-8.9	0	0	0	110.3	F294 T324 L355 E356 I361 W362 M363 L402 W406 M407 F444 Y447	F294-F359 HydrophobicContact CD1-CE1 4.02Å; F294-F359 HydrophobicContact CD1-CZ 4.06Å; F294-F359 HydrophobicContact CD2-CZ 4.28Å; F294-F359 AromaticContact CE1-CE1 3.72Å; F294-F359 HydrophobicContact CE1-CE1 3.72Å; F294-F359 AromaticContact CE1-CZ 3.72Å; F294-F359 HydrophobicContact CE1-CZ 3.72Å; F294-F359 HydrophobicContact CE2-CZ 4.01Å; F294-F359 HydrophobicContact CG-CZ 4.35Å; F294-F359 HydrophobicContact CZ-CE1 4.19Å; F294-F359 AromaticContact CZ-CZ 3.74Å; F294-F359 HydrophobicContact CZ-CZ 3.74Å; T324-F359 HydrophobicContact CG2-CE1 4.1Å; L355-F359 HydrophobicContact CB-CZ 4.43Å; L355-F359 WeakPolarHBondContact O-CD1 3.42Å; L355-F359 VanDerWaalsContact O-CG 3.29Å; L355-F359 WeakPolarHBondContact O-CG 3.22Å; L355-F359 PolarHBondContact O-N 2.91Å; E356-F359 PolarHBondContact O-N 2.87Å; F359-I361 PolarHBondContact O-N 3.34Å; F359-W362 PolarHBondContact O-N 2.84Å; F359-M363 HydrophobicContact CB-SD 3.99Å; F359-M363 WeakPolarHBondContact O-CB 3.44Å; F359-M363 WeakPolarHBondContact O-CG 3.32Å; F359-M363 PolarHBondContact O-N 3.44Å; F359-L402 HydrophobicContact CD2-CD1 4.26Å; F359-L402 HydrophobicContact CD2-CD2 4.12Å; F359-L402 HydrophobicContact CD2-CG 4.23Å; F359-L402 HydrophobicContact CE2-CD1 4.16Å; F359-L402 HydrophobicContact CE2-CD2 3.76Å; F359-L402 HydrophobicContact CE2-CG 4.27Å; F359-W406 HydrophobicContact CB-CB 4.33Å; F359-W406 HydrophobicContact CD2-CB 4.11Å; F359-M407 HydrophobicContact CE2-CG 4.29Å; F359-F444 HydrophobicContact CD1-CE2 4.29Å; F359-F444 AromaticContact CD2-CE2 3.77Å; F359-F444 HydrophobicContact CD2-CE2 3.77Å; F359-F444 HydrophobicContact CE1-CE2 4.17Å; F359-F444 AromaticContact CE2-CE2 3.6Å; F359-F444 HydrophobicContact CE2-CE2 3.6Å; F359-F444 HydrophobicContact CE2-CZ 4.05Å; F359-F444 HydrophobicContact CG-CE2 4.12Å; F359-F444 AromaticContact CZ-CE2 3.84Å; F359-F444 HydrophobicContact CZ-CE2 3.84Å; F359-F444 HydrophobicContact CZ-CZ 4.04Å; F359-Y447 HydrophobicContact CD1-CE1 4.13Å; F359-Y447 HydrophobicContact CD1-CE2 4.14Å; F359-Y447 AromaticContact CD1-CZ 3.79Å; F359-Y447 AromaticContact CE1-CE1 3.97Å; F359-Y447 HydrophobicContact CE1-CE1 3.97Å; F359-Y447 AromaticContact CE1-CZ 3.85Å
360	R	98.4	Very high	97.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.4	-48.3	176.5	176.8	166.8	58.7	-122.9	-13.1	112.3	L340 Q342 E356 I357 S358 W362 C364 W406	L340-R360 HydrophobicContact CD2-CG 4.07Å; L340-R360 WeakPolarHBondContact O-CD 3.49Å; L340-R360 PolarHBondContact O-NE 3.16Å; Q342-R360 VanDerWaalsContact O-CZ 3.3Å; Q342-R360 PolarHBondContact O-NH2 2.81Å; E356-R360 VanDerWaalsContact CD-NH1 3.28Å; E356-R360 WeakPolarHBondContact O-CB 3.31Å; E356-R360 PolarHBondContact O-N 3.32Å; E356-R360 IonicContact OE1-CZ 3.8Å; E356-R360 IonicContact OE1-NH1 3.32Å; E356-R360 PolarHBondContact OE1-NH1 3.05Å; E356-R360 IonicContact OE1-NH2 3.78Å; E356-R360 IonicContact OE2-CZ 3.47Å; E356-R360 VanDerWaalsContact OE2-CZ 3.26Å; E356-R360 IonicContact OE2-NH1 3.12Å; E356-R360 PolarHBondContact OE2-NH1 2.91Å; E356-R360 VanDerWaalsContact OE2-NH1 3.09Å; E356-R360 IonicContact OE2-NH2 3.14Å; E356-R360 PolarHBondContact OE2-NH2 2.87Å; I357-R360 PolarHBondContact O-N 2.94Å; S358-R360 VanDerWaalsContact C-N 3.35Å; R360-W362 PolarHBondContact O-N 2.83Å; R360-C364 WeakPolarHBondContact O-CB 3.46Å; R360-C364 PolarHBondContact O-N 2.9Å; R360-C364 PolarHBondContact O-SG 3.07Å; R360-W406 HydrophobicContact CB-CH2 3.71Å; R360-W406 HydrophobicContact CB-CZ2 3.69Å; R360-W406 HydrophobicContact CB-CZ3 4.18Å; R360-W406 HydrophobicContact CG-CH2 3.61Å; R360-W406 HydrophobicContact CG-CZ2 3.85Å; R360-W406 HydrophobicContact CG-CZ3 4.37Å
361	I	98.7	Very high	97.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-54.6	-54.8	179.7	-72	157.6	0	0	0	109.7	V269 L340 I357 S358 F359 G365 G366 L368	V269-I361 HydrophobicContact CB-CD1 3.91Å; V269-I361 HydrophobicContact CG1-CD1 3.99Å; V269-I361 HydrophobicContact CG2-CD1 3.62Å; V269-I361 HydrophobicContact CG2-CG1 3.94Å; V269-I361 HydrophobicContact CG2-CG2 4.22Å; L340-I361 HydrophobicContact CD1-CG1 3.8Å; I357-I361 HydrophobicContact CG1-CD1 4Å; I357-I361 HydrophobicContact CG1-CG1 4.31Å; I357-I361 WeakPolarHBondContact O-CB 3.5Å; I357-I361 WeakPolarHBondContact O-CD1 3.3Å; I357-I361 WeakPolarHBondContact O-CG1 3.36Å; I357-I361 PolarHBondContact O-N 2.98Å; S358-I361 PolarHBondContact O-N 3.49Å; F359-I361 PolarHBondContact O-N 3.34Å; I361-G365 PolarHBondContact O-N 3.33Å; I361-G366 VanDerWaalsContact O-CA 3.29Å; I361-G366 WeakPolarHBondContact O-CA 3.43Å; I361-G366 PolarHBondContact O-N 2.88Å; I361-L368 HydrophobicContact CG2-CB 4.33Å
362	W	98.6	Very high	98	Very high	15 Å²	15	10.6 Å²	10.6	6%	0.057	6%	0.062	C	C	.	.	H	α-helix	trans	-67	-49.7	-177.4	-80.6	118.1	0	0	0	113.2	K321 S322 P323 S358 F359 R360 C364 G365 R367 L368 Y447 I451	K321-W362 HydrophobicContact CB-CH2 4.43Å; K321-W362 HydrophobicContact CB-CZ2 4.38Å; K321-W362 HydrophobicContact CD-CH2 4.29Å; K321-W362 HydrophobicContact CG-CH2 4.24Å; S322-W362 PolarHBondContact O-NE1 2.9Å; P323-W362 PolarHBondContact O-NE1 3.22Å; S358-W362 PolarHBondContact O-N 2.95Å; F359-W362 PolarHBondContact O-N 2.84Å; R360-W362 PolarHBondContact O-N 2.83Å; W362-C364 PolarHBondContact O-N 2.04Å; W362-G365 PolarHBondContact O-N 3.44Å; W362-R367 HydrophobicContact CZ3-CG 4.49Å; W362-L368 HydrophobicContact CZ2-CB 4.11Å; W362-L368 WeakPolarHBondContact CZ2-O 3.43Å; W362-Y447 HydrophobicContact CB-CD2 3.81Å; W362-Y447 HydrophobicContact CB-CE2 4Å; W362-Y447 AromaticContact CD1-CE2 3.82Å; W362-Y447 HydrophobicContact CG-CD2 4.32Å; W362-Y447 HydrophobicContact CG-CE2 4.1Å; W362-I451 HydrophobicContact CB-CG1 4.19Å; W362-I451 HydrophobicContact CD2-CD1 3.75Å; W362-I451 HydrophobicContact CD2-CG1 3.94Å; W362-I451 HydrophobicContact CD2-CG2 3.76Å; W362-I451 HydrophobicContact CE3-CD1 3.32Å; W362-I451 HydrophobicContact CE3-CG1 3.98Å; W362-I451 HydrophobicContact CE3-CG2 4.47Å; W362-I451 HydrophobicContact CG-CD1 4.4Å; W362-I451 HydrophobicContact CG-CG1 4.07Å; W362-I451 HydrophobicContact CG-CG2 3.83Å; W362-I451 HydrophobicContact CH2-CD1 4.23Å; W362-I451 HydrophobicContact CZ2-CG2 4.23Å; W362-I451 HydrophobicContact CZ3-CD1 3.6Å
363	M	98.7	Very high	98.1	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-67.7	-26.7	-175	-65.8	167.7	65.5	0	0	111.8	F359 W406 R436 C441 K442 F444 Y447	F359-M363 HydrophobicContact CB-SD 3.99Å; F359-M363 WeakPolarHBondContact O-CB 3.44Å; F359-M363 WeakPolarHBondContact O-CG 3.32Å; F359-M363 PolarHBondContact O-N 3.44Å; M363-W406 HydrophobicContact CE-CE3 4Å; M363-W406 WeakPolarHBondContact CE-O 3.49Å; M363-W406 HydrophobicContact SD-CE3 4.03Å; M363-R436 VanDerWaalsContact CE-NH2 3.33Å; M363-C441 HydrophobicContact CB-CB 4.25Å; M363-C441 CarbonylContact O-C 3.3Å; M363-C441 VanDerWaalsContact O-CA 3.23Å; M363-C441 WeakPolarHBondContact O-CA 3.22Å; M363-C441 WeakPolarHBondContact O-CB 3.48Å; M363-K442 WeakPolarHBondContact CE-O 3.39Å; M363-K442 PolarHBondContact O-N 2.9Å; M363-F444 HydrophobicContact CE-CB 4.44Å; M363-F444 HydrophobicContact SD-CD2 4.1Å; M363-Y447 HydrophobicContact CG-CD2 4.41Å; M363-Y447 HydrophobicContact CG-CG 4.47Å
364	C	98.6	Very high	98.1	Very high	16 Å²	16	10.4 Å²	10.4	11%	0.108	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	20.7	-179.9	-48.6	0	0	0	0	113.1	L340 R360 W362 L439 C441	L340-C364 HydrophobicContact CD2-CB 4.27Å; R360-C364 WeakPolarHBondContact O-CB 3.46Å; R360-C364 PolarHBondContact O-N 2.9Å; R360-C364 PolarHBondContact O-SG 3.07Å; W362-C364 PolarHBondContact O-N 2.04Å; C364-L439 HydrophobicContact CB-CB 4.31Å; C364-L439 HydrophobicContact CB-CD1 4.29Å; C364-C441 HydrophobicContact CB-CB 4.06Å; C364-C441 WeakPolarHBondContact CB-SG 3.05Å; C364-C441 WeakPolarHBondContact SG-CB 3.47Å; C364-C441 CovalentContact SG-SG 2.03Å; C364-C441 PolarHBondContact SG-SG 2.85Å
365	G	97.4	Very high	98.1	Very high	49 Å²	49	10.7 Å²	10.7	51%	0.505	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	18.2	166.8	0	0	0	0	0	116	I361 W362	I361-G365 PolarHBondContact O-N 3.33Å; W362-G365 PolarHBondContact O-N 3.44Å
366	G	98.3	Very high	98.2	Very high	4 Å²	4	10.7 Å²	10.7	4%	0.041	6%	0.061	C	C	.	.			trans	-92.2	-173.8	167.5	0	0	0	0	0	113.1	R267 Y336 I361	R267-G366 VanDerWaalsContact O-CA 3.27Å; R267-G366 WeakPolarHBondContact O-CA 3.48Å; Y336-G366 VanDerWaalsContact OH-CA 3.25Å; Y336-G366 WeakPolarHBondContact OH-CA 3.43Å; Y336-G366 PolarHBondContact OH-N 3.36Å; I361-G366 VanDerWaalsContact O-CA 3.29Å; I361-G366 WeakPolarHBondContact O-CA 3.43Å; I361-G366 PolarHBondContact O-N 2.88Å
367	R	98.3	Very high	98.1	Very high	99 Å²	99	10.7 Å²	10.7	37%	0.374	6%	0.061	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.1	179	-62.6	168.6	62.8	-179.2	-1.9	109.5	R267 T268 V269 W362	R267-R367 PolarHBondContact O-N 3.29Å; T268-R367 HydrophobicContact CG2-CB 4.26Å; V269-R367 PolarHBondContact N-O 3.16Å; W362-R367 HydrophobicContact CZ3-CG 4.49Å
368	L	98.7	Very high	98.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	116.6	173	-177	60.5	0	0	0	109.7	V269 S322 M325 I361 W362	V269-L368 HydrophobicContact CB-CD1 3.95Å; V269-L368 HydrophobicContact CG1-CD1 3.76Å; V269-L368 WeakPolarHBondContact O-CA 3.35Å; S322-L368 PolarHBondContact N-O 3.12Å; M325-L368 HydrophobicContact CB-CD1 4.36Å; M325-L368 HydrophobicContact CB-CD2 4.08Å; M325-L368 HydrophobicContact CG-CD2 4.24Å; M325-L368 HydrophobicContact SD-CD1 4.44Å; I361-L368 HydrophobicContact CG2-CB 4.33Å; W362-L368 HydrophobicContact CZ2-CB 4.11Å; W362-L368 WeakPolarHBondContact CZ2-O 3.43Å
369	L	98.2	Very high	98.1	Very high	4 Å²	4	12 Å²	12	2%	0.021	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.4	-174.7	-53.7	177.8	0	0	0	111.7	P261 T268 V269 V270 C271 P319 I320 K321 I371	P261-L369 HydrophobicContact CB-CD1 4.36Å; T268-L369 HydrophobicContact CG2-CD1 3.59Å; T268-L369 HydrophobicContact CG2-CG 4Å; V269-L369 PolarHBondContact O-N 3.18Å; V270-L369 CarbonylContact C-O 3.49Å; V270-L369 VanDerWaalsContact CA-O 3.29Å; V270-L369 WeakPolarHBondContact CA-O 3.44Å; V270-L369 HydrophobicContact CG1-CB 4.35Å; C271-L369 PolarHBondContact N-O 3.27Å; P319-L369 HydrophobicContact CB-CD1 4.03Å; I320-L369 CarbonylContact O-C 3.2Å; I320-L369 WeakPolarHBondContact O-CA 3.19Å; K321-L369 HydrophobicContact CG-CD2 3.97Å; L369-I371 HydrophobicContact CB-CD1 4.02Å
370	I	97.8	Very high	97.7	Very high	7 Å²	7	16 Å²	16	4%	0.036	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.2	162	-67.9	168.7	0	0	0	107.7	C271 V273 V290 R291 I320 P372	C271-I370 HydrophobicContact CB-CG1 4.15Å; C271-I370 CarbonylContact O-C 3.5Å; C271-I370 WeakPolarHBondContact O-CA 3.24Å; V273-I370 HydrophobicContact CG2-CG2 3.77Å; V290-I370 WeakPolarHBondContact O-CD1 3.47Å; R291-I370 HydrophobicContact CB-CD1 4.26Å; I320-I370 HydrophobicContact CB-CB 4.49Å; I320-I370 PolarHBondContact N-O 3.22Å; I320-I370 PolarHBondContact O-N 2.83Å; I370-P372 WeakPolarHBondContact O-CD 3.34Å
371	I	97.6	Very high	97.3	Very high	8 Å²	8	18 Å²	18	4%	0.041	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	101.5	-176.9	-51.7	-56.8	0	0	0	109.2	P257 L258 P261 V270 C271 P319 L369 C373 S374	P257-I371 HydrophobicContact CB-CG2 3.59Å; L258-I371 HydrophobicContact CD2-CB 4.03Å; L258-I371 HydrophobicContact CD2-CG1 3.96Å; P261-I371 HydrophobicContact CG-CD1 3.9Å; V270-I371 HydrophobicContact CB-CD1 4.46Å; V270-I371 HydrophobicContact CB-CG1 3.89Å; V270-I371 HydrophobicContact CG1-CD1 4.12Å; V270-I371 HydrophobicContact CG1-CG1 4.07Å; C271-I371 PolarHBondContact O-N 3.41Å; P319-I371 HydrophobicContact CB-CD1 3.71Å; P319-I371 HydrophobicContact CG-CD1 4.03Å; L369-I371 HydrophobicContact CB-CD1 4.02Å; I371-C373 PolarHBondContact O-N 3.19Å; I371-C373 VanDerWaalsContact O-N 3.15Å; I371-S374 PolarHBondContact O-N 3.4Å; I371-S374 VanDerWaalsContact O-O 3.06Å
372	P	95.9	Very high	96.5	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.026	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	-27.3	-173	-27.5	37.4	0	0	0	115.5	V289 A316 A318 I320 I370 S374	V289-P372 HydrophobicContact CG1-CG 4.16Å; V289-P372 HydrophobicContact CG2-CB 4.41Å; A316-P372 WeakPolarHBondContact O-CB 3.39Å; A316-P372 WeakPolarHBondContact O-CG 3.48Å; A318-P372 WeakPolarHBondContact O-CD 3.49Å; A318-P372 VanDerWaalsContact O-CG 3.31Å; A318-P372 WeakPolarHBondContact O-CG 3.43Å; I320-P372 HydrophobicContact CD1-CG 3.74Å; I320-P372 HydrophobicContact CG1-CG 4.43Å; I370-P372 WeakPolarHBondContact O-CD 3.34Å; P372-S374 VanDerWaalsContact C-N 3.31Å
373	C	96.8	Very high	95.9	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-11.2	177.4	-63	0	0	0	0	113.9	R137 C141 P257 I371	R137-C373 WeakPolarHBondContact CD-O 3.17Å; C141-C373 VanDerWaalsContact CA-SG 3.57Å; C141-C373 HydrophobicContact CB-CB 3.62Å; C141-C373 WeakPolarHBondContact CB-SG 3.35Å; C141-C373 WeakPolarHBondContact SG-CA 3.2Å; C141-C373 WeakPolarHBondContact SG-CB 3.16Å; C141-C373 CovalentContact SG-SG 2.04Å; C141-C373 PolarHBondContact SG-SG 3.22Å; P257-C373 HydrophobicContact CB-CB 4.24Å; P257-C373 HydrophobicContact CG-CB 4.22Å; I371-C373 PolarHBondContact O-N 3.19Å; I371-C373 VanDerWaalsContact O-N 3.15Å
374	S	98.3	Very high	95.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.6	169.5	-179.4	0	0	0	0	109.2	W254 L258 P272 V273 I371 P372	W254-S374 WeakPolarHBondContact O-CB 3.34Å; W254-S374 PolarHBondContact O-OG 3.23Å; L258-S374 WeakPolarHBondContact CD1-OG 3.1Å; L258-S374 WeakPolarHBondContact CD2-OG 3.26Å; L258-S374 VanDerWaalsContact CG-OG 3.26Å; L258-S374 WeakPolarHBondContact CG-OG 3.45Å; P272-S374 CarbonylContact C-O 3.58Å; P272-S374 WeakPolarHBondContact CA-O 2.97Å; P272-S374 WeakPolarHBondContact CB-O 3.49Å; P272-S374 WeakPolarHBondContact CB-OG 3.44Å; V273-S374 PolarHBondContact N-O 3.25Å; I371-S374 PolarHBondContact O-N 3.4Å; I371-S374 VanDerWaalsContact O-O 3.06Å; P372-S374 VanDerWaalsContact C-N 3.31Å
375	R	98.1	Very high	94.5	Very high	16 Å²	16	36.6 Å²	36.6	6%	0.06	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	137.1	-178.8	-65.7	-167.5	167.7	-142.1	14	111.2	T136 R137 N251 V273 D275 S286	T136-R375 PolarHBondContact O-NE 2.98Å; T136-R375 PolarHBondContact O-NH1 2.85Å; T136-R375 VanDerWaalsContact O-NH1 3.13Å; T136-R375 PolarHBondContact O-NH2 2.88Å; T136-R375 WeakPolarHBondContact OG1-CD 3.38Å; R137-R375 HydrophobicContact CG-CG 4.08Å; N251-R375 HydrophobicContact CB-CB 3.87Å; N251-R375 VanDerWaalsContact CB-O 3.22Å; N251-R375 WeakPolarHBondContact CB-O 3.17Å; N251-R375 PolarHBondContact N-O 2.86Å; V273-R375 HydrophobicContact CB-CG 4.22Å; V273-R375 WeakPolarHBondContact O-CA 3.35Å; D275-R375 IonicContact OD1-CZ 3.47Å; D275-R375 IonicContact OD1-NH1 3.87Å; D275-R375 PolarHBondContact OD1-NH1 2.83Å; D275-R375 WeakPolarHBondContact OD2-CD 3.43Å; D275-R375 IonicContact OD2-NH1 2.77Å; D275-R375 PolarHBondContact OD2-NH1 3.13Å; S286-R375 PolarHBondContact OG-NH1 3.13Å
376	V	98.7	Very high	93.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	122.8	175.4	-176	0	0	0	0	108.2	L244 C248 V250 W254 P272 V273 I274 D275 L329	L244-V376 HydrophobicContact CD2-CG1 4.32Å; C248-V376 HydrophobicContact CB-CG1 3.82Å; V250-V376 HydrophobicContact CB-CG2 4.36Å; V250-V376 HydrophobicContact CG1-CG1 4.01Å; V250-V376 HydrophobicContact CG1-CG2 4.04Å; W254-V376 HydrophobicContact CD2-CG2 4.37Å; W254-V376 HydrophobicContact CE3-CG2 3.65Å; W254-V376 HydrophobicContact CZ3-CG2 4.18Å; P272-V376 HydrophobicContact CB-CB 4.43Å; P272-V376 HydrophobicContact CB-CG2 3.86Å; P272-V376 HydrophobicContact CG-CB 4.26Å; P272-V376 HydrophobicContact CG-CG2 3.84Å; V273-V376 PolarHBondContact O-N 2.86Å; I274-V376 CarbonylContact C-O 3.56Å; I274-V376 WeakPolarHBondContact CA-O 3.48Å; D275-V376 PolarHBondContact N-O 3.19Å; L329-V376 HydrophobicContact CD2-CB 3.53Å; L329-V376 HydrophobicContact CD2-CG1 3.31Å; L329-V376 HydrophobicContact CD2-CG2 4.22Å
377	G	98.3	Very high	92.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	141.6	173.6	0	0	0	0	0	110.5	C248 E249 D275 I277 Y284	C248-G377 CarbonylContact C-O 3.5Å; C248-G377 WeakPolarHBondContact CA-O 3.04Å; C248-G377 WeakPolarHBondContact CB-O 3.41Å; E249-G377 PolarHBondContact N-O 3.19Å; E249-G377 PolarHBondContact O-N 3.19Å; D275-G377 CarbonylContact O-C 3.55Å; D275-G377 WeakPolarHBondContact O-CA 3.48Å; I277-G377 VanDerWaalsContact CD1-C 3.48Å; Y284-G377 VanDerWaalsContact CE2-CA 3.42Å; Y284-G377 PolarHBondContact OH-N 3.46Å
378	H	98.3	Very high	91.8	Very high	25 Å²	25	36 Å²	36	12%	0.116	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	136.2	179.5	173.3	-84.9	0	0	0	110	D245 H247 I274 D275 I277 F380	D245-H378 IonicContact OD2-CD2 2.91Å; D245-H378 IonicContact OD2-NE2 3.98Å; H247-H378 AromaticContact CD2-CD2 3.89Å; H247-H378 AromaticContact CD2-CE1 3.89Å; H247-H378 AromaticContact CD2-NE2 3.41Å; H247-H378 PolarHBondContact CD2-NE2 2.76Å; H247-H378 AromaticContact NE2-CE1 3.81Å; H247-H378 AromaticContact NE2-NE2 3.27Å; H247-H378 PolarHBondContact NE2-NE2 2.89Å; I274-H378 HydrophobicContact CG2-CB 3.55Å; D275-H378 PolarHBondContact O-N 2.93Å; I277-H378 PolarHBondContact N-O 2.62Å; H378-F380 HydrophobicContact CB-CE2 4.1Å; H378-F380 HydrophobicContact CB-CZ 4.42Å; H378-F380 AromaticContact ND1-CD1 3.88Å; H378-F380 AromaticContact ND1-CD2 3.93Å; H378-F380 AromaticContact ND1-CE1 3.88Å; H378-F380 AromaticContact ND1-CE2 3.94Å; H378-F380 AromaticContact ND1-CG 3.92Å; H378-F380 AromaticContact ND1-CZ 3.92Å; H378-F380 WeakPolarHBondContact O-CD2 3.28Å; H378-F380 PolarHBondContact O-N 3.04Å; H378-F380 VanDerWaalsContact O-N 3.13Å
379	I	97.1	Very high	90.7	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	104.6	176.2	-57.9	-179.4	0	0	0	110.1	F119 A166 H247 I277 A279 L282 R381	F119-I379 HydrophobicContact CB-CG2 4.06Å; F119-I379 HydrophobicContact CD1-CG2 4.41Å; F119-I379 HydrophobicContact CG-CG2 4.22Å; A166-I379 HydrophobicContact CB-CD1 4.4Å; H247-I379 HydrophobicContact CB-CB 4.21Å; H247-I379 HydrophobicContact CB-CD1 3.99Å; H247-I379 HydrophobicContact CB-CG1 4.19Å; H247-I379 PolarHBondContact O-N 3.38Å; H247-I379 VanDerWaalsContact O-N 3.09Å; I277-I379 HydrophobicContact CB-CG1 3.97Å; I277-I379 HydrophobicContact CD1-CG1 4.4Å; I277-I379 HydrophobicContact CG2-CG1 3.79Å; I277-I379 WeakPolarHBondContact O-CA 3.46Å; A279-I379 HydrophobicContact CB-CG2 4.21Å; L282-I379 HydrophobicContact CD1-CD1 3.67Å; L282-I379 HydrophobicContact CD1-CG1 4.27Å; I379-R381 HydrophobicContact CG2-CG 4.41Å; I379-R381 PolarHBondContact O-N 3.3Å
380	F	91.1	Very high	89.6	Confident	84 Å²	84	43.1 Å²	43.1	37%	0.368	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	99.1	178.7	-74.7	-83.1	0	0	0	111.6	I274 I276 I277 A279 H378	I274-F380 HydrophobicContact CG2-CE2 3.99Å; I274-F380 HydrophobicContact CG2-CZ 3.69Å; I276-F380 HydrophobicContact CB-CD2 4.13Å; I276-F380 HydrophobicContact CB-CE2 4.34Å; I276-F380 HydrophobicContact CG1-CD2 3.85Å; I276-F380 HydrophobicContact CG1-CE2 3.79Å; I276-F380 HydrophobicContact CG2-CD2 4.06Å; I277-F380 PolarHBondContact O-N 2.79Å; A279-F380 WeakPolarHBondContact CB-O 3.24Å; H378-F380 HydrophobicContact CB-CE2 4.1Å; H378-F380 HydrophobicContact CB-CZ 4.42Å; H378-F380 AromaticContact ND1-CD1 3.88Å; H378-F380 AromaticContact ND1-CD2 3.93Å; H378-F380 AromaticContact ND1-CE1 3.88Å; H378-F380 AromaticContact ND1-CE2 3.94Å; H378-F380 AromaticContact ND1-CG 3.92Å; H378-F380 AromaticContact ND1-CZ 3.92Å; H378-F380 WeakPolarHBondContact O-CD2 3.28Å; H378-F380 PolarHBondContact O-N 3.04Å; H378-F380 VanDerWaalsContact O-N 3.13Å
381	R	90	Very high	88.7	Confident	43 Å²	43	46.2 Å²	46.2	16%	0.162	27%	0.266	C	S	.	.			trans	-77.3	144.8	179.1	-56.1	170.2	-163.2	-143.3	3.8	111.2	H117 A118 E162 H247 I379 R383	H117-R381 WeakPolarHBondContact O-CD 3.38Å; H117-R381 PolarHBondContact O-NH1 2.89Å; A118-R381 HydrophobicContact CB-CB 4.22Å; E162-R381 IonicContact OE1-CZ 3.22Å; E162-R381 IonicContact OE1-NH1 3.9Å; E162-R381 IonicContact OE1-NH2 2.68Å; E162-R381 PolarHBondContact OE1-NH2 3.19Å; E162-R381 IonicContact OE2-CZ 2.66Å; E162-R381 IonicContact OE2-NH2 3.09Å; E162-R381 PolarHBondContact OE2-NH2 3.02Å; H247-R381 PolarHBondContact CE1-NH2 3.3Å; H247-R381 VanDerWaalsContact CE1-NH2 3.26Å; H247-R381 PolarHBondContact ND1-NH2 2.99Å; I379-R381 HydrophobicContact CG2-CG 4.41Å; I379-R381 PolarHBondContact O-N 3.3Å; R381-R383 VanDerWaalsContact C-N 3.28Å; R381-R383 WeakPolarHBondContact CB-O 3.38Å; R381-R383 PolarHBondContact O-N 3.44Å
382	K	81.3	Confident	88.1	Confident	120 Å²	120	51.8 Å²	51.8	52%	0.522	29%	0.292	S	S	.	.	S	Bend	trans	-71.1	-24.7	176.5	-67.6	172.9	-176.7	160	0	113.3	D280 E541	D280-K382 IonicContact OD1-NZ 2.79Å; D280-K382 PolarHBondContact OD1-NZ 3.22Å; D280-K382 WeakPolarHBondContact OD2-CE 3.46Å; D280-K382 IonicContact OD2-NZ 3.51Å; D280-K382 PolarHBondContact OD2-NZ 3.44Å; K382-E541 WeakPolarHBondContact CE-OE2 3.32Å; K382-E541 IonicContact NZ-OE1 2.76Å; K382-E541 PolarHBondContact NZ-OE1 3.46Å; K382-E541 IonicContact NZ-OE2 2.74Å; K382-E541 PolarHBondContact NZ-OE2 3.41Å
383	R	86.8	Confident	87.7	Confident	114 Å²	114	54.5 Å²	54.5	43%	0.43	31%	0.306	S	S	.	.	S	Bend	trans	-143.5	163.2	176.2	67.3	173.8	-177.1	87.1	-0.8	110.1	Y114 Q115 A118 R381	Y114-R383 PolarHBondContact O-NH2 3.12Å; Q115-R383 VanDerWaalsContact C-NH2 3.32Å; Q115-R383 PolarHBondContact O-NH2 3.13Å; A118-R383 HydrophobicContact CB-CG 3.64Å; R381-R383 VanDerWaalsContact C-N 3.28Å; R381-R383 WeakPolarHBondContact CB-O 3.38Å; R381-R383 PolarHBondContact O-N 3.44Å
384	R	84.4	Confident	87.5	Confident	154 Å²	154	55 Å²	55	58%	0.581	31%	0.309	S	S	*	.			trans	-75.5	133.5	171.1	-56.5	173.3	-153.7	-131.8	2.6	109	Y386	R384-Y386 VanDerWaalsContact C-N 3.35Å
385	P	83	Confident	87.2	Confident	33 Å²	33	56.2 Å²	56.2	21%	0.214	32%	0.315	C	S	.	.	S	Bend	trans	-72.9	-30	178.7	30.8	-38.6	0	0	0	112	K116	K116-P385 VanDerWaalsContact O-CB 3.32Å; K116-P385 WeakPolarHBondContact O-CB 3.36Å
386	Y	81.1	Confident	87	Confident	61 Å²	61	55.5 Å²	55.5	24%	0.239	31%	0.312	C	S	.	.			trans	-130.4	142.5	-176	-42.6	-62.7	0	0	0	111.6	K116 H117 Y160 N161 R384	K116-Y386 PolarHBondContact O-OH 3.09Å; H117-Y386 PolarHBondContact ND1-OH 3.21Å; H117-Y386 VanDerWaalsContact ND1-OH 3.16Å; Y160-Y386 HydrophobicContact CD1-CD1 4.47Å; Y160-Y386 AromaticContact CD1-CD2 3.62Å; Y160-Y386 HydrophobicContact CD1-CD2 3.62Å; Y160-Y386 HydrophobicContact CD1-CE2 4.34Å; Y160-Y386 AromaticContact CD1-CG 3.74Å; Y160-Y386 HydrophobicContact CD1-CG 3.74Å; Y160-Y386 HydrophobicContact CE1-CD1 4.12Å; Y160-Y386 HydrophobicContact CE1-CD2 4.07Å; Y160-Y386 AromaticContact CE1-CG 3.7Å; Y160-Y386 HydrophobicContact CE1-CG 3.7Å; Y160-Y386 WeakPolarHBondContact O-CE2 3.5Å; N161-Y386 HydrophobicContact CB-CD1 4.26Å; N161-Y386 HydrophobicContact CB-CD2 4.33Å; N161-Y386 HydrophobicContact CB-CE1 3.58Å; N161-Y386 HydrophobicContact CB-CE2 3.65Å; N161-Y386 PolarHBondContact O-OH 3.32Å; R384-Y386 VanDerWaalsContact C-N 3.35Å
387	G	77.7	Confident	86.8	Confident	56 Å²	56	57 Å²	57	58%	0.577	32%	0.319	S	S	*	.			trans	-96.8	179.4	174	0	0	0	0	0	113	R222	R222-G387 PolarHBondContact NH1-O 2.82Å; R222-G387 PolarHBondContact NH2-O 2.68Å
388	S	77.9	Confident	86.8	Confident	23 Å²	23	57 Å²	57	16%	0.161	32%	0.319	C	S	.	.			trans	-73.2	146.3	171	-56.8	0	0	0	0	110.4	G390 G391 Q392 T394	S388-G390 PolarHBondContact O-N 3.38Å; S388-G391 PolarHBondContact O-N 3.18Å; S388-Q392 WeakPolarHBondContact CB-O 3.45Å; S388-T394 WeakPolarHBondContact OG-CG2 3.07Å; S388-T394 PolarHBondContact OG-OG1 3.23Å; S388-T394 VanDerWaalsContact OG-OG1 3.13Å
389	P	76.6	Confident	86.7	Confident	68 Å²	68	55.9 Å²	55.9	44%	0.442	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-53.6	130.1	174.6	-22.1	34.3	0	0	0	110.2	R222 I349 G391	R222-P389 VanDerWaalsContact NH1-CD 3.25Å; I349-P389 HydrophobicContact CD1-CG 4.15Å; P389-G391 PolarHBondContact O-N 3.4Å
390	G	74.8	Confident	86.8	Confident	85 Å²	85	55.7 Å²	55.7	88%	0.876	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	69.1	13	-179.3	0	0	0	0	0	115.8	S388 Q392	S388-G390 PolarHBondContact O-N 3.38Å; G390-Q392 VanDerWaalsContact C-N 3.27Å; G390-Q392 PolarHBondContact O-N 3.37Å
391	G	79.2	Confident	87.1	Confident	72 Å²	72	52.2 Å²	52.2	74%	0.742	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	70.8	18.9	175.2	0	0	0	0	0	114.7	S388 P389	S388-G391 PolarHBondContact O-N 3.18Å; P389-G391 PolarHBondContact O-N 3.4Å
392	Q	83.8	Confident	87.5	Confident	125 Å²	125	50.2 Å²	50.2	58%	0.584	29%	0.29	S	S	*	.			trans	-65.1	139.3	-178.8	-63.1	-176.4	-1.2	0	0	111.8	S388 G390 T394	S388-Q392 WeakPolarHBondContact CB-O 3.45Å; G390-Q392 VanDerWaalsContact C-N 3.27Å; G390-Q392 PolarHBondContact O-N 3.37Å; Q392-T394 VanDerWaalsContact C-N 3.25Å; Q392-T394 HydrophobicContact CB-CG2 4.45Å; Q392-T394 PolarHBondContact O-N 3Å
393	D	88.6	Confident	88.3	Confident	61 Å²	61	44.5 Å²	44.5	33%	0.326	27%	0.265	S	S	.	.			trans	-77	78.6	172.7	174.9	12.1	0	0	0	109.9	M395 A396 H397 R418 R424	D393-M395 VanDerWaalsContact C-N 3.3Å; D393-A396 VanDerWaalsContact CG-CB 3.45Å; D393-A396 WeakPolarHBondContact OD1-CB 3.46Å; D393-A396 PolarHBondContact OD1-N 3.41Å; D393-A396 WeakPolarHBondContact OD2-CB 3.2Å; D393-H397 PolarHBondContact O-N 2.81Å; D393-R418 IonicContact OD2-NH2 3.26Å; D393-R424 PolarHBondContact O-NH2 3.46Å; D393-R424 IonicContact OD2-CZ 3.96Å; D393-R424 IonicContact OD2-NH1 3.84Å; D393-R424 PolarHBondContact OD2-NH1 2.85Å
394	T	92.1	Very high	88.8	Confident	12 Å²	12	41.2 Å²	41.2	7%	0.074	26%	0.255	C	S	.	.	H	α-helix	trans	-66.8	-32.2	-179.7	55.5	0	0	0	0	112	D348 I349 W350 S388 Q392 A396 H397 N398	D348-T394 HydrophobicContact CB-CG2 3.86Å; D348-T394 WeakPolarHBondContact O-CB 3.45Å; I349-T394 HydrophobicContact CB-CG2 4.21Å; I349-T394 HydrophobicContact CG1-CG2 4.23Å; W350-T394 PolarHBondContact O-OG1 2.96Å; W350-T394 VanDerWaalsContact O-OG1 3.12Å; S388-T394 WeakPolarHBondContact OG-CG2 3.07Å; S388-T394 PolarHBondContact OG-OG1 3.23Å; S388-T394 VanDerWaalsContact OG-OG1 3.13Å; Q392-T394 VanDerWaalsContact C-N 3.25Å; Q392-T394 HydrophobicContact CB-CG2 4.45Å; Q392-T394 PolarHBondContact O-N 3Å; T394-A396 PolarHBondContact O-N 3.23Å; T394-H397 PolarHBondContact O-N 2.83Å; T394-N398 WeakPolarHBondContact O-CB 3.27Å; T394-N398 PolarHBondContact O-N 3.14Å; T394-N398 PolarHBondContact O-ND2 3.27Å; T394-N398 PolarHBondContact O-OD1 3.25Å
395	M	92	Very high	89.5	Confident	26 Å²	26	34.1 Å²	34.1	13%	0.128	23%	0.229	C	C	.	.	H	α-helix	trans	-59.2	-47.4	177.4	-176.7	67.5	-166.3	0	0	111	L298 W350 G351 G352 D393 S399	L298-M395 WeakPolarHBondContact O-CE 3.37Å; W350-M395 HydrophobicContact CE3-SD 4.42Å; W350-M395 HydrophobicContact CZ3-SD 3.79Å; G351-M395 VanDerWaalsContact C-SD 3.58Å; G351-M395 WeakPolarHBondContact CA-SD 3.42Å; G352-M395 PolarHBondContact N-SD 3.25Å; D393-M395 VanDerWaalsContact C-N 3.3Å; M395-S399 WeakPolarHBondContact O-CB 3.34Å; M395-S399 PolarHBondContact O-N 2.85Å; M395-S399 PolarHBondContact O-OG 3.07Å
396	A	94.1	Very high	90.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.2	-40.3	178.3	0	0	0	0	0	112.8	D393 T394 S399 L400 L421 R424	D393-A396 VanDerWaalsContact CG-CB 3.45Å; D393-A396 WeakPolarHBondContact OD1-CB 3.46Å; D393-A396 PolarHBondContact OD1-N 3.41Å; D393-A396 WeakPolarHBondContact OD2-CB 3.2Å; T394-A396 PolarHBondContact O-N 3.23Å; A396-S399 PolarHBondContact O-N 3.49Å; A396-L400 WeakPolarHBondContact O-CB 3.25Å; A396-L400 VanDerWaalsContact O-CG 3.28Å; A396-L400 WeakPolarHBondContact O-CG 3.34Å; A396-L400 PolarHBondContact O-N 2.85Å; A396-L421 HydrophobicContact CB-CD1 4.27Å; A396-L421 HydrophobicContact CB-CD2 4.04Å; A396-R424 VanDerWaalsContact CB-NH1 3.3Å
397	H	95.6	Very high	91	Very high	32 Å²	32	29.7 Å²	29.7	15%	0.148	21%	0.207	C	C	.	.	H	α-helix	trans	-58.6	-50.7	175.5	175.7	78.5	0	0	0	111.3	G346 D348 D393 T394 S399 L400 R401 Y426	G346-H397 PolarHBondContact O-NE2 2.87Å; D348-H397 IonicContact OD2-CD2 3.29Å; D348-H397 PolarHBondContact OD2-CD2 2.7Å; D348-H397 IonicContact OD2-NE2 2.74Å; D348-H397 PolarHBondContact OD2-NE2 2.86Å; D393-H397 PolarHBondContact O-N 2.81Å; T394-H397 PolarHBondContact O-N 2.83Å; H397-S399 PolarHBondContact O-N 3.46Å; H397-L400 WeakPolarHBondContact O-CB 3.41Å; H397-L400 PolarHBondContact O-N 3.31Å; H397-R401 WeakPolarHBondContact O-CG 3.33Å; H397-R401 PolarHBondContact O-N 3.03Å; H397-Y426 PolarHBondContact CE1-O 2.79Å
398	N	97.3	Very high	92	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-41.6	-179.9	-61.2	-9.2	0	0	0	111.5	M347 D348 W350 G351 T394 L400 R401 L402	M347-N398 VanDerWaalsContact CA-OD1 3.25Å; M347-N398 WeakPolarHBondContact CA-OD1 3.35Å; M347-N398 HydrophobicContact CB-CB 4.28Å; M347-N398 WeakPolarHBondContact CB-OD1 3.35Å; M347-N398 HydrophobicContact CE-CB 4.25Å; M347-N398 WeakPolarHBondContact CE-O 3.44Å; M347-N398 HydrophobicContact CG-CB 3.96Å; M347-N398 HydrophobicContact SD-CB 4.13Å; D348-N398 PolarHBondContact N-OD1 2.94Å; D348-N398 PolarHBondContact O-ND2 2.81Å; W350-N398 PolarHBondContact O-ND2 3.46Å; G351-N398 WeakPolarHBondContact O-CB 3.48Å; G351-N398 PolarHBondContact O-ND2 3.46Å; T394-N398 WeakPolarHBondContact O-CB 3.27Å; T394-N398 PolarHBondContact O-N 3.14Å; T394-N398 PolarHBondContact O-ND2 3.27Å; T394-N398 PolarHBondContact O-OD1 3.25Å; N398-L400 VanDerWaalsContact C-N 3.29Å; N398-L400 PolarHBondContact O-N 3.35Å; N398-R401 WeakPolarHBondContact O-CB 3.27Å; N398-R401 PolarHBondContact O-N 3.27Å; N398-L402 PolarHBondContact O-N 3.03Å
399	S	97.1	Very high	92.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-35.1	177.7	-60.6	0	0	0	0	112.1	M395 A396 H397 L402 A403 Y414	M395-S399 WeakPolarHBondContact O-CB 3.34Å; M395-S399 PolarHBondContact O-N 2.85Å; M395-S399 PolarHBondContact O-OG 3.07Å; A396-S399 PolarHBondContact O-N 3.49Å; H397-S399 PolarHBondContact O-N 3.46Å; S399-L402 PolarHBondContact O-N 2.8Å; S399-A403 VanDerWaalsContact O-CB 3.25Å; S399-A403 WeakPolarHBondContact O-CB 3.12Å; S399-A403 PolarHBondContact O-N 2.89Å; S399-Y414 WeakPolarHBondContact CB-OH 3.49Å
400	L	97.6	Very high	93.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-47.5	172.4	-80.5	165.9	0	0	0	111.7	A396 H397 N398 L402 A403 H404 Y414 F415 L421 R424 Y426	A396-L400 WeakPolarHBondContact O-CB 3.25Å; A396-L400 VanDerWaalsContact O-CG 3.28Å; A396-L400 WeakPolarHBondContact O-CG 3.34Å; A396-L400 PolarHBondContact O-N 2.85Å; H397-L400 WeakPolarHBondContact O-CB 3.41Å; H397-L400 PolarHBondContact O-N 3.31Å; N398-L400 VanDerWaalsContact C-N 3.29Å; N398-L400 PolarHBondContact O-N 3.35Å; L400-L402 VanDerWaalsContact C-N 3.33Å; L400-L402 PolarHBondContact O-N 3.11Å; L400-A403 PolarHBondContact O-N 2.6Å; L400-H404 WeakPolarHBondContact O-CB 3.23Å; L400-H404 PolarHBondContact O-CD2 2.95Å; L400-H404 PolarHBondContact O-N 3.49Å; L400-Y414 HydrophobicContact CD2-CE1 4.44Å; L400-F415 HydrophobicContact CD2-CE1 3.57Å; L400-F415 HydrophobicContact CD2-CZ 4.1Å; L400-L421 HydrophobicContact CD1-CB 4.47Å; L400-L421 HydrophobicContact CD2-CB 4.15Å; L400-R424 HydrophobicContact CD1-CB 3.87Å; L400-R424 HydrophobicContact CD1-CG 3.98Å; L400-Y426 HydrophobicContact CB-CD1 4.24Å; L400-Y426 HydrophobicContact CB-CG 4.16Å; L400-Y426 HydrophobicContact CD2-CD1 4.5Å
401	R	98.2	Very high	94.7	Very high	11 Å²	11	31.5 Å²	31.5	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-57.1	-48.1	177	-63.7	179.3	65.2	78.5	0.4	111.2	D344 G346 M347 H397 N398 V405 Y426 N428 I429	D344-R401 IonicContact OD1-CZ 3.28Å; D344-R401 IonicContact OD1-NE 2.77Å; D344-R401 IonicContact OD1-NH2 3.81Å; D344-R401 PolarHBondContact OD1-NH2 3.48Å; D344-R401 IonicContact OD2-CZ 2.65Å; D344-R401 IonicContact OD2-NE 3.47Å; D344-R401 PolarHBondContact OD2-NE 2.94Å; D344-R401 IonicContact OD2-NH2 3.13Å; D344-R401 PolarHBondContact OD2-NH2 3.32Å; D344-R401 VanDerWaalsContact OD2-NH2 3.14Å; G346-R401 WeakPolarHBondContact O-CD 3.39Å; G346-R401 PolarHBondContact O-NE 3.26Å; M347-R401 HydrophobicContact CE-CB 4.49Å; H397-R401 WeakPolarHBondContact O-CG 3.33Å; H397-R401 PolarHBondContact O-N 3.03Å; N398-R401 WeakPolarHBondContact O-CB 3.27Å; N398-R401 PolarHBondContact O-N 3.27Å; R401-V405 VanDerWaalsContact O-CG2 3.24Å; R401-V405 WeakPolarHBondContact O-CG2 3.36Å; R401-V405 PolarHBondContact O-N 2.74Å; R401-Y426 WeakPolarHBondContact CD-O 3.47Å; R401-Y426 VanDerWaalsContact CG-O 3.23Å; R401-Y426 WeakPolarHBondContact CG-O 3.33Å; R401-Y426 PolarHBondContact NH1-O 3.19Å; R401-N428 PolarHBondContact NH1-O 3.2Å; R401-N428 PolarHBondContact NH2-O 2.82Å; R401-I429 HydrophobicContact CB-CG2 4.28Å; R401-I429 HydrophobicContact CG-CG2 4.21Å
402	L	98.1	Very high	95.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.4	-50	174.4	169	163.1	0	0	0	111.8	L298 M347 L355 E356 F359 N398 S399 L400 H404 V405 W406 M407	L298-L402 HydrophobicContact CD1-CD2 3.92Å; L298-L402 HydrophobicContact CD2-CD2 4.15Å; M347-L402 HydrophobicContact CE-CB 4.18Å; L355-L402 HydrophobicContact CB-CD1 3.47Å; L355-L402 VanDerWaalsContact CB-CD1 3.47Å; E356-L402 VanDerWaalsContact CA-CD1 3.47Å; E356-L402 HydrophobicContact CB-CB 4.28Å; E356-L402 HydrophobicContact CB-CD1 3.8Å; E356-L402 HydrophobicContact CB-CG 4.25Å; E356-L402 HydrophobicContact CG-CB 4.28Å; E356-L402 HydrophobicContact CG-CG 4.5Å; F359-L402 HydrophobicContact CD2-CD1 4.26Å; F359-L402 HydrophobicContact CD2-CD2 4.12Å; F359-L402 HydrophobicContact CD2-CG 4.23Å; F359-L402 HydrophobicContact CE2-CD1 4.16Å; F359-L402 HydrophobicContact CE2-CD2 3.76Å; F359-L402 HydrophobicContact CE2-CG 4.27Å; N398-L402 PolarHBondContact O-N 3.03Å; S399-L402 PolarHBondContact O-N 2.8Å; L400-L402 VanDerWaalsContact C-N 3.33Å; L400-L402 PolarHBondContact O-N 3.11Å; L402-H404 PolarHBondContact O-N 2.91Å; L402-V405 PolarHBondContact O-N 3.3Å; L402-W406 WeakPolarHBondContact O-CB 3.45Å; L402-W406 PolarHBondContact O-N 2.65Å; L402-M407 HydrophobicContact CD2-CG 4.07Å; L402-M407 HydrophobicContact CD2-SD 3.79Å
403	A	98	Very high	95.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-43	-174.5	0	0	0	0	0	111.9	L298 S399 L400 V405 M407 K411 Y414	L298-A403 HydrophobicContact CD1-CB 4.18Å; S399-A403 VanDerWaalsContact O-CB 3.25Å; S399-A403 WeakPolarHBondContact O-CB 3.12Å; S399-A403 PolarHBondContact O-N 2.89Å; L400-A403 PolarHBondContact O-N 2.6Å; A403-V405 VanDerWaalsContact C-N 3.32Å; A403-V405 PolarHBondContact O-N 2.81Å; A403-M407 HydrophobicContact CB-SD 3.7Å; A403-M407 WeakPolarHBondContact O-CB 3.28Å; A403-M407 PolarHBondContact O-N 3.47Å; A403-K411 HydrophobicContact CB-CB 4.08Å; A403-Y414 HydrophobicContact CB-CD1 4.3Å
404	H	98.1	Very high	95.9	Very high	46 Å²	46	27 Å²	27	21%	0.213	13%	0.126	C	C	.	.	H	α-helix	trans	-67.4	-31.2	178.7	-82.2	-80.3	0	0	0	113.3	L400 L402 F415 Y426 I429	L400-H404 WeakPolarHBondContact O-CB 3.23Å; L400-H404 PolarHBondContact O-CD2 2.95Å; L400-H404 PolarHBondContact O-N 3.49Å; L402-H404 PolarHBondContact O-N 2.91Å; H404-F415 AromaticContact NE2-CZ 3.63Å; H404-Y426 HydrophobicContact CB-CE2 4.43Å; H404-Y426 AromaticContact CD2-CD1 3.76Å; H404-Y426 AromaticContact CD2-CE1 3.45Å; H404-Y426 VanDerWaalsContact CD2-CE1 3.45Å; H404-Y426 WeakPolarHBondContact CD2-CE1 3.47Å; H404-Y426 AromaticContact CD2-CZ 3.61Å; H404-Y426 AromaticContact CE1-CE1 3.75Å; H404-Y426 AromaticContact CE1-CZ 3.8Å; H404-Y426 AromaticContact CG-CZ 3.81Å; H404-Y426 AromaticContact ND1-CZ 3.9Å; H404-Y426 AromaticContact NE2-CD1 3.8Å; H404-Y426 AromaticContact NE2-CE1 3.21Å; H404-Y426 WeakPolarHBondContact NE2-CE1 3.22Å; H404-Y426 AromaticContact NE2-CZ 3.63Å; H404-I429 HydrophobicContact CB-CD1 3.61Å
405	V	98.4	Very high	95.9	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.03	12%	0.124	C	C	.	.	H	α-helix	trans	-88.1	-39.5	-178	178.1	0	0	0	0	112.3	R401 L402 A403 I429 R432 V433 R436	R401-V405 VanDerWaalsContact O-CG2 3.24Å; R401-V405 WeakPolarHBondContact O-CG2 3.36Å; R401-V405 PolarHBondContact O-N 2.74Å; L402-V405 PolarHBondContact O-N 3.3Å; A403-V405 VanDerWaalsContact C-N 3.32Å; A403-V405 PolarHBondContact O-N 2.81Å; V405-I429 HydrophobicContact CG2-CB 3.9Å; V405-I429 HydrophobicContact CG2-CD1 3.9Å; V405-I429 HydrophobicContact CG2-CG1 4.42Å; V405-I429 HydrophobicContact CG2-CG2 4.27Å; V405-R432 HydrophobicContact CG1-CB 3.96Å; V405-R432 HydrophobicContact CG2-CB 3.78Å; V405-V433 HydrophobicContact CG2-CG2 4.25Å; V405-R436 VanDerWaalsContact O-CD 3.32Å; V405-R436 WeakPolarHBondContact O-CD 3.42Å; V405-R436 PolarHBondContact O-NH1 3.3Å
406	W	98.4	Very high	95.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-117.1	-17.8	-162.8	-62.9	107.3	0	0	0	115.5	E356 F359 R360 M363 L402 R436 C441 F444	E356-W406 PolarHBondContact OE1-NE1 2.79Å; F359-W406 HydrophobicContact CB-CB 4.33Å; F359-W406 HydrophobicContact CD2-CB 4.11Å; R360-W406 HydrophobicContact CB-CH2 3.71Å; R360-W406 HydrophobicContact CB-CZ2 3.69Å; R360-W406 HydrophobicContact CB-CZ3 4.18Å; R360-W406 HydrophobicContact CG-CH2 3.61Å; R360-W406 HydrophobicContact CG-CZ2 3.85Å; R360-W406 HydrophobicContact CG-CZ3 4.37Å; M363-W406 HydrophobicContact CE-CE3 4Å; M363-W406 WeakPolarHBondContact CE-O 3.49Å; M363-W406 HydrophobicContact SD-CE3 4.03Å; L402-W406 WeakPolarHBondContact O-CB 3.45Å; L402-W406 PolarHBondContact O-N 2.65Å; W406-R436 HydrophobicContact CE3-CG 4.24Å; W406-R436 HydrophobicContact CH2-CB 4Å; W406-R436 HydrophobicContact CH2-CG 4.07Å; W406-R436 HydrophobicContact CZ3-CB 4.13Å; W406-R436 HydrophobicContact CZ3-CG 3.68Å; W406-C441 HydrophobicContact CZ3-CB 4.24Å; W406-F444 WeakPolarHBondContact O-CB 3.46Å; W406-F444 VanDerWaalsContact O-CD2 3.23Å; W406-F444 WeakPolarHBondContact O-CD2 3.07Å
407	M	97.9	Very high	95.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.			trans	-97.3	-0.8	-171.9	-65.9	177.2	71.1	0	0	115.1	W296 L298 F359 L402 A403 E409 Y410 K411 F444	W296-M407 HydrophobicContact CE3-CE 4.2Å; W296-M407 HydrophobicContact CZ3-CE 3.97Å; L298-M407 HydrophobicContact CD1-SD 3.95Å; L298-M407 HydrophobicContact CD2-CE 3.99Å; L298-M407 HydrophobicContact CD2-SD 3.68Å; L298-M407 HydrophobicContact CG-SD 4.36Å; F359-M407 HydrophobicContact CE2-CG 4.29Å; L402-M407 HydrophobicContact CD2-CG 4.07Å; L402-M407 HydrophobicContact CD2-SD 3.79Å; A403-M407 HydrophobicContact CB-SD 3.7Å; A403-M407 WeakPolarHBondContact O-CB 3.28Å; A403-M407 PolarHBondContact O-N 3.47Å; M407-E409 PolarHBondContact O-N 3.1Å; M407-Y410 WeakPolarHBondContact O-CA 3.41Å; M407-Y410 VanDerWaalsContact O-CB 3.28Å; M407-Y410 WeakPolarHBondContact O-CB 3.09Å; M407-Y410 PolarHBondContact O-N 3.31Å; M407-K411 HydrophobicContact CB-CB 4.07Å; M407-F444 HydrophobicContact CB-CD1 4.42Å; M407-F444 HydrophobicContact CB-CG 4.42Å; M407-F444 HydrophobicContact CE-CE1 4.36Å; M407-F444 HydrophobicContact CE-CZ 4.44Å; M407-F444 HydrophobicContact CG-CD2 4.35Å; M407-F444 HydrophobicContact CG-CE1 4.34Å; M407-F444 HydrophobicContact CG-CE2 4.1Å; M407-F444 HydrophobicContact CG-CZ 4.07Å
408	D	98	Very high	95.3	Very high	45 Å²	45	35.1 Å²	35.1	24%	0.241	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	50.2	-129.2	-179.5	-56.5	-34.8	0	0	0	111.9	Y410 K411 R436 S443 F444	D408-Y410 VanDerWaalsContact C-N 3.29Å; D408-Y410 PolarHBondContact O-N 3.31Å; D408-K411 WeakPolarHBondContact O-CD 3.41Å; D408-K411 WeakPolarHBondContact O-CE 2.79Å; D408-K411 VanDerWaalsContact O-CG 3.3Å; D408-K411 WeakPolarHBondContact O-CG 3.25Å; D408-R436 VanDerWaalsContact CG-NH2 3.33Å; D408-R436 IonicContact OD1-CZ 3.78Å; D408-R436 VanDerWaalsContact OD1-CZ 3.22Å; D408-R436 IonicContact OD1-NH1 2.83Å; D408-R436 PolarHBondContact OD1-NH1 2.86Å; D408-R436 IonicContact OD1-NH2 3.57Å; D408-R436 PolarHBondContact OD1-NH2 3.19Å; D408-R436 IonicContact OD2-CZ 3.15Å; D408-R436 IonicContact OD2-NH1 3.38Å; D408-R436 IonicContact OD2-NH2 2.75Å; D408-R436 PolarHBondContact OD2-NH2 2.89Å; D408-S443 WeakPolarHBondContact OD2-CA 3.21Å; D408-S443 WeakPolarHBondContact OD2-CB 3.18Å; D408-F444 HydrophobicContact CB-CB 4.38Å; D408-F444 PolarHBondContact OD2-N 3.03Å
409	E	95.8	Very high	95.1	Very high	117 Å²	117	38.7 Å²	38.7	55%	0.547	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-70.2	-20	174.5	65.1	-86.8	-159.5	0	0	113.9	M407 K411 E412	M407-E409 PolarHBondContact O-N 3.1Å; E409-K411 PolarHBondContact O-N 3.43Å; E409-E412 PolarHBondContact O-N 3.44Å
410	Y	95.5	Very high	94.9	Very high	53 Å²	53	43.7 Å²	43.7	21%	0.208	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-74.6	-11.3	-176.3	-64	-97.4	0	0	0	113.5	W296 M407 D408 E412 Q413 F444 K445 L448	W296-Y410 AromaticContact CH2-CD1 3.96Å; W296-Y410 HydrophobicContact CH2-CD1 3.96Å; M407-Y410 WeakPolarHBondContact O-CA 3.41Å; M407-Y410 VanDerWaalsContact O-CB 3.28Å; M407-Y410 WeakPolarHBondContact O-CB 3.09Å; M407-Y410 PolarHBondContact O-N 3.31Å; D408-Y410 VanDerWaalsContact C-N 3.29Å; D408-Y410 PolarHBondContact O-N 3.31Å; Y410-E412 PolarHBondContact O-N 2.89Å; Y410-E412 VanDerWaalsContact O-N 3.15Å; Y410-Q413 WeakPolarHBondContact O-CB 3.38Å; Y410-Q413 PolarHBondContact O-N 2.84Å; Y410-F444 HydrophobicContact CD2-CB 4.32Å; Y410-F444 AromaticContact CD2-CD1 3.8Å; Y410-F444 HydrophobicContact CD2-CD1 3.8Å; Y410-F444 AromaticContact CG-CD1 3.74Å; Y410-F444 HydrophobicContact CG-CD1 3.74Å; Y410-F444 HydrophobicContact CG-CE1 4.3Å; Y410-K445 HydrophobicContact CE2-CB 3.84Å; Y410-L448 HydrophobicContact CD1-CD1 3.61Å; Y410-L448 HydrophobicContact CE1-CD1 3.5Å; Y410-L448 HydrophobicContact CG-CD1 4.15Å
411	K	95.2	Very high	94.7	Very high	55 Å²	55	43.8 Å²	43.8	24%	0.239	22%	0.22	C	C	.	.	H	α-helix	trans	-57.4	-23.9	169.7	68.9	-170.3	174.7	-174.4	0	112.6	A403 M407 D408 E409 Q413 Y414 F415	A403-K411 HydrophobicContact CB-CB 4.08Å; M407-K411 HydrophobicContact CB-CB 4.07Å; D408-K411 WeakPolarHBondContact O-CD 3.41Å; D408-K411 WeakPolarHBondContact O-CE 2.79Å; D408-K411 VanDerWaalsContact O-CG 3.3Å; D408-K411 WeakPolarHBondContact O-CG 3.25Å; E409-K411 PolarHBondContact O-N 3.43Å; K411-Q413 PolarHBondContact O-N 3.24Å; K411-Y414 WeakPolarHBondContact O-CB 3.44Å; K411-Y414 PolarHBondContact O-N 3.23Å; K411-F415 HydrophobicContact CB-CE2 4.12Å; K411-F415 HydrophobicContact CD-CE2 4Å; K411-F415 HydrophobicContact CG-CD2 4.25Å; K411-F415 HydrophobicContact CG-CE2 3.78Å; K411-F415 WeakPolarHBondContact O-CD2 3.48Å; K411-F415 PolarHBondContact O-N 3.37Å
412	E	93.3	Very high	94.5	Very high	87 Å²	87	48.5 Å²	48.5	41%	0.407	24%	0.238	S	C	.	.	H	α-helix	trans	-62.1	-26	174.8	-69.2	-52.6	136.8	0	0	112.9	E409 Y410 F415 A416 R422	E409-E412 PolarHBondContact O-N 3.44Å; Y410-E412 PolarHBondContact O-N 2.89Å; Y410-E412 VanDerWaalsContact O-N 3.15Å; E412-F415 PolarHBondContact O-N 2.7Å; E412-A416 WeakPolarHBondContact O-CB 3.24Å; E412-A416 PolarHBondContact O-N 2.87Å; E412-R422 IonicContact OE2-CZ 3.7Å; E412-R422 IonicContact OE2-NE 3.16Å; E412-R422 IonicContact OE2-NH2 2.77Å; E412-R422 PolarHBondContact OE2-NH2 2.85Å
413	Q	90.6	Very high	94.3	Very high	77 Å²	77	55.1 Å²	55.1	36%	0.36	28%	0.279	S	S	.	.	H	α-helix	trans	-66.6	-40.3	173.1	-60.1	-60	-29.6	0	0	111.7	W296 Y410 K411 A416 L417 I457	W296-Q413 HydrophobicContact CB-CB 4.46Å; W296-Q413 HydrophobicContact CD2-CB 3.73Å; W296-Q413 HydrophobicContact CD2-CG 4.19Å; W296-Q413 HydrophobicContact CE3-CB 3.34Å; W296-Q413 HydrophobicContact CE3-CG 3.89Å; W296-Q413 HydrophobicContact CG-CB 4.24Å; W296-Q413 HydrophobicContact CH2-CG 4.19Å; W296-Q413 HydrophobicContact CZ2-CG 4.5Å; W296-Q413 HydrophobicContact CZ3-CB 3.79Å; W296-Q413 HydrophobicContact CZ3-CG 3.88Å; Y410-Q413 WeakPolarHBondContact O-CB 3.38Å; Y410-Q413 PolarHBondContact O-N 2.84Å; K411-Q413 PolarHBondContact O-N 3.24Å; Q413-A416 PolarHBondContact O-N 3.13Å; Q413-L417 PolarHBondContact O-N 3.07Å; Q413-I457 HydrophobicContact CG-CD1 4.32Å
414	Y	92.4	Very high	94.1	Very high	1 Å²	1	58.9 Å²	58.9	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-43.9	174.2	176.5	-122.8	0	0	0	111	W296 G297 L298 S399 L400 A403 K411 A416 L417 R418 L421	W296-Y414 WeakPolarHBondContact O-CA 3.39Å; W296-Y414 WeakPolarHBondContact O-CD2 2.93Å; G297-Y414 WeakPolarHBondContact O-CE2 3.47Å; L298-Y414 HydrophobicContact CB-CD2 4.36Å; L298-Y414 HydrophobicContact CB-CE2 4.23Å; L298-Y414 HydrophobicContact CD1-CD1 3.89Å; L298-Y414 HydrophobicContact CD1-CD2 3.82Å; L298-Y414 HydrophobicContact CD1-CE1 4.05Å; L298-Y414 HydrophobicContact CD1-CE2 3.98Å; L298-Y414 HydrophobicContact CD1-CG 3.76Å; L298-Y414 HydrophobicContact CG-CD2 3.78Å; L298-Y414 HydrophobicContact CG-CE2 4.09Å; L298-Y414 HydrophobicContact CG-CG 4.11Å; S399-Y414 WeakPolarHBondContact CB-OH 3.49Å; L400-Y414 HydrophobicContact CD2-CE1 4.44Å; A403-Y414 HydrophobicContact CB-CD1 4.3Å; K411-Y414 WeakPolarHBondContact O-CB 3.44Å; K411-Y414 PolarHBondContact O-N 3.23Å; Y414-A416 VanDerWaalsContact C-N 3.32Å; Y414-A416 PolarHBondContact O-N 3.33Å; Y414-L417 PolarHBondContact O-N 2.8Å; Y414-R418 PolarHBondContact O-N 2.81Å; Y414-L421 HydrophobicContact CE1-CD1 3.68Å; Y414-L421 HydrophobicContact CE2-CD1 4.34Å; Y414-L421 VanDerWaalsContact CZ-CD1 3.44Å; Y414-L421 WeakPolarHBondContact OH-CD1 3.34Å
415	F	92.7	Very high	93.9	Very high	6 Å²	6	62.9 Å²	62.9	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-71.3	-23.5	177.8	-59.8	-41.5	0	0	0	114.2	L400 H404 K411 E412 L417 R418 P419 L421 R422	L400-F415 HydrophobicContact CD2-CE1 3.57Å; L400-F415 HydrophobicContact CD2-CZ 4.1Å; H404-F415 AromaticContact NE2-CZ 3.63Å; K411-F415 HydrophobicContact CB-CE2 4.12Å; K411-F415 HydrophobicContact CD-CE2 4Å; K411-F415 HydrophobicContact CG-CD2 4.25Å; K411-F415 HydrophobicContact CG-CE2 3.78Å; K411-F415 WeakPolarHBondContact O-CD2 3.48Å; K411-F415 PolarHBondContact O-N 3.37Å; E412-F415 PolarHBondContact O-N 2.7Å; F415-L417 VanDerWaalsContact C-N 3.32Å; F415-R418 CarbonylContact O-C 3.57Å; F415-R418 VanDerWaalsContact O-C 3.3Å; F415-P419 WeakPolarHBondContact O-CA 3.46Å; F415-P419 VanDerWaalsContact O-N 3.1Å; F415-L421 HydrophobicContact CD1-CB 4.45Å; F415-R422 HydrophobicContact CB-CG 3.89Å; F415-R422 HydrophobicContact CD1-CG 4.1Å; F415-R422 HydrophobicContact CD2-CG 4.22Å; F415-R422 HydrophobicContact CG-CG 3.85Å; F415-R422 PolarHBondContact O-NH1 2.84Å
416	A	90.8	Very high	93.7	Very high	63 Å²	63	65.6 Å²	65.6	52%	0.521	33%	0.326	S	S	.	.	H	α-helix	trans	-66.6	-37	171.8	0	0	0	0	0	111.3	E412 Q413 Y414	E412-A416 WeakPolarHBondContact O-CB 3.24Å; E412-A416 PolarHBondContact O-N 2.87Å; Q413-A416 PolarHBondContact O-N 3.13Å; Y414-A416 VanDerWaalsContact C-N 3.32Å; Y414-A416 PolarHBondContact O-N 3.33Å
417	L	89.3	Confident	93.6	Very high	107 Å²	107	67.2 Å²	67.2	56%	0.56	34%	0.343	S	S	*	.	H	α-helix	trans	-77.7	-31.9	176.2	-64.4	176.7	0	0	0	113	W296 Q413 Y414 F415	W296-L417 VanDerWaalsContact C-CD1 3.5Å; W296-L417 HydrophobicContact CB-CD1 3.64Å; Q413-L417 PolarHBondContact O-N 3.07Å; Y414-L417 PolarHBondContact O-N 2.8Å; F415-L417 VanDerWaalsContact C-N 3.32Å
418	R	89.7	Confident	93.6	Very high	63 Å²	63	72.7 Å²	72.7	24%	0.238	37%	0.372	C	S	.	.			trans	-130.8	72.5	179.8	-63	-165.8	67.4	-178.3	0.5	112.2	D393 Y414 F415 E420 L421	D393-R418 IonicContact OD2-NH2 3.26Å; Y414-R418 PolarHBondContact O-N 2.81Å; F415-R418 CarbonylContact O-C 3.57Å; F415-R418 VanDerWaalsContact O-C 3.3Å; R418-E420 VanDerWaalsContact CA-OE2 3.26Å; R418-E420 WeakPolarHBondContact CA-OE2 3.42Å; R418-E420 IonicContact CZ-OE1 3.58Å; R418-E420 IonicContact NE-OE1 2.72Å; R418-E420 PolarHBondContact NE-OE1 3.05Å; R418-E420 IonicContact NH2-OE1 3.98Å; R418-E420 PolarHBondContact NH2-OE1 3.15Å; R418-E420 VanDerWaalsContact NH2-OE1 3.13Å; R418-E420 PolarHBondContact O-N 3.05Å; R418-L421 HydrophobicContact CB-CD1 3.71Å; R418-L421 HydrophobicContact CB-CG 3.9Å; R418-L421 HydrophobicContact CG-CD1 4.37Å; R418-L421 PolarHBondContact O-N 3.25Å; R418-L421 VanDerWaalsContact O-N 3.12Å
419	P	92.3	Very high	93.6	Very high	76 Å²	76	71.6 Å²	71.6	49%	0.494	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-59.6	-29	-175.5	-24.5	35.1	0	0	0	114.4	F415 L421 R422	F415-P419 WeakPolarHBondContact O-CA 3.46Å; F415-P419 VanDerWaalsContact O-N 3.1Å; P419-L421 PolarHBondContact O-N 3.32Å; P419-L421 VanDerWaalsContact O-N 3.16Å; P419-R422 PolarHBondContact O-N 2.75Å
420	E	93.2	Very high	93.7	Very high	105 Å²	105	69.2 Å²	69.2	49%	0.491	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-62.4	-19.4	179.1	76	-75.7	-179.1	0	0	113.4	R418	R418-E420 VanDerWaalsContact CA-OE2 3.26Å; R418-E420 WeakPolarHBondContact CA-OE2 3.42Å; R418-E420 IonicContact CZ-OE1 3.58Å; R418-E420 IonicContact NE-OE1 2.72Å; R418-E420 PolarHBondContact NE-OE1 3.05Å; R418-E420 IonicContact NH2-OE1 3.98Å; R418-E420 PolarHBondContact NH2-OE1 3.15Å; R418-E420 VanDerWaalsContact NH2-OE1 3.13Å; R418-E420 PolarHBondContact O-N 3.05Å
421	L	93.9	Very high	93.8	Very high	2 Å²	2	71.4 Å²	71.4	1%	0.01	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-83	-12.6	-177.8	-62.4	-174.7	0	0	0	114	A396 L400 Y414 F415 R418 P419 T423 R424	A396-L421 HydrophobicContact CB-CD1 4.27Å; A396-L421 HydrophobicContact CB-CD2 4.04Å; L400-L421 HydrophobicContact CD1-CB 4.47Å; L400-L421 HydrophobicContact CD2-CB 4.15Å; Y414-L421 HydrophobicContact CE1-CD1 3.68Å; Y414-L421 HydrophobicContact CE2-CD1 4.34Å; Y414-L421 VanDerWaalsContact CZ-CD1 3.44Å; Y414-L421 WeakPolarHBondContact OH-CD1 3.34Å; F415-L421 HydrophobicContact CD1-CB 4.45Å; R418-L421 HydrophobicContact CB-CD1 3.71Å; R418-L421 HydrophobicContact CB-CG 3.9Å; R418-L421 HydrophobicContact CG-CD1 4.37Å; R418-L421 PolarHBondContact O-N 3.25Å; R418-L421 VanDerWaalsContact O-N 3.12Å; P419-L421 PolarHBondContact O-N 3.32Å; P419-L421 VanDerWaalsContact O-N 3.16Å; L421-T423 PolarHBondContact O-N 2.88Å; L421-R424 HydrophobicContact CD2-CB 4.46Å; L421-R424 PolarHBondContact O-N 3.24Å
422	R	93.6	Very high	94	Very high	111 Å²	111	70.3 Å²	70.3	42%	0.419	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-59.6	-32.5	-178.5	-74.8	-171.5	171.4	79.7	3.2	113.7	E412 F415 P419	E412-R422 IonicContact OE2-CZ 3.7Å; E412-R422 IonicContact OE2-NE 3.16Å; E412-R422 IonicContact OE2-NH2 2.77Å; E412-R422 PolarHBondContact OE2-NH2 2.85Å; F415-R422 HydrophobicContact CB-CG 3.89Å; F415-R422 HydrophobicContact CD1-CG 4.1Å; F415-R422 HydrophobicContact CD2-CG 4.22Å; F415-R422 HydrophobicContact CG-CG 3.85Å; F415-R422 PolarHBondContact O-NH1 2.84Å; P419-R422 PolarHBondContact O-N 2.75Å
423	T	93	Very high	94.2	Very high	138 Å²	138	68.4 Å²	68.4	85%	0.847	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-103.4	-1.2	-177.8	56.1	0	0	0	0	112.9	L421	L421-T423 PolarHBondContact O-N 2.88Å
424	R	94.3	Very high	94.6	Very high	80 Å²	80	70.2 Å²	70.2	30%	0.302	37%	0.372	S	S	.	.	S	Bend	trans	-75.5	134.6	-177.9	-174.4	171.7	179.2	178.6	-10.4	110.2	D393 A396 L400 L421 Y426	D393-R424 PolarHBondContact O-NH2 3.46Å; D393-R424 IonicContact OD2-CZ 3.96Å; D393-R424 IonicContact OD2-NH1 3.84Å; D393-R424 PolarHBondContact OD2-NH1 2.85Å; A396-R424 VanDerWaalsContact CB-NH1 3.3Å; L400-R424 HydrophobicContact CD1-CB 3.87Å; L400-R424 HydrophobicContact CD1-CG 3.98Å; L421-R424 HydrophobicContact CD2-CB 4.46Å; L421-R424 PolarHBondContact O-N 3.24Å; R424-Y426 WeakPolarHBondContact O-CD1 3.49Å
425	N	94	Very high	94.9	Very high	129 Å²	129	70.5 Å²	70.5	69%	0.69	37%	0.373	S	S	*	.			trans	-67.3	136	175.4	-172	5.5	0	0	0	110.9	G427	N425-G427 PolarHBondContact OD1-N 3.46Å
426	Y	94.8	Very high	95.2	Very high	63 Å²	63	72 Å²	72	25%	0.247	38%	0.379	C	S	.	.			trans	-125.1	8.9	177.6	51.1	-97.1	0	0	0	112.9	H397 L400 R401 H404 R424 I429	H397-Y426 PolarHBondContact CE1-O 2.79Å; L400-Y426 HydrophobicContact CB-CD1 4.24Å; L400-Y426 HydrophobicContact CB-CG 4.16Å; L400-Y426 HydrophobicContact CD2-CD1 4.5Å; R401-Y426 WeakPolarHBondContact CD-O 3.47Å; R401-Y426 VanDerWaalsContact CG-O 3.23Å; R401-Y426 WeakPolarHBondContact CG-O 3.33Å; R401-Y426 PolarHBondContact NH1-O 3.19Å; H404-Y426 HydrophobicContact CB-CE2 4.43Å; H404-Y426 AromaticContact CD2-CD1 3.76Å; H404-Y426 AromaticContact CD2-CE1 3.45Å; H404-Y426 VanDerWaalsContact CD2-CE1 3.45Å; H404-Y426 WeakPolarHBondContact CD2-CE1 3.47Å; H404-Y426 AromaticContact CD2-CZ 3.61Å; H404-Y426 AromaticContact CE1-CE1 3.75Å; H404-Y426 AromaticContact CE1-CZ 3.8Å; H404-Y426 AromaticContact CG-CZ 3.81Å; H404-Y426 AromaticContact ND1-CZ 3.9Å; H404-Y426 AromaticContact NE2-CD1 3.8Å; H404-Y426 AromaticContact NE2-CE1 3.21Å; H404-Y426 WeakPolarHBondContact NE2-CE1 3.22Å; H404-Y426 AromaticContact NE2-CZ 3.63Å; R424-Y426 WeakPolarHBondContact O-CD1 3.49Å; Y426-I429 HydrophobicContact CD2-CG2 4.03Å; Y426-I429 HydrophobicContact CE2-CD1 3.96Å; Y426-I429 HydrophobicContact CE2-CG1 4.26Å; Y426-I429 HydrophobicContact CE2-CG2 4.34Å
427	G	96.1	Very high	95.5	Very high	34 Å²	34	76.5 Å²	76.5	35%	0.351	39%	0.387	S	S	.	.			trans	73.3	-172.9	179.2	0	0	0	0	0	114	N425	N425-G427 PolarHBondContact OD1-N 3.46Å
428	N	97.4	Very high	96	Very high	114 Å²	114	80.3 Å²	80.3	61%	0.61	39%	0.393	S	S	*	.			trans	-75.5	130.9	-179.9	-173.7	0.4	0	0	0	111.1	R401 T430	R401-N428 PolarHBondContact NH1-O 3.2Å; R401-N428 PolarHBondContact NH2-O 2.82Å; N428-T430 WeakPolarHBondContact OD1-CB 3.38Å; N428-T430 PolarHBondContact OD1-N 3.13Å; N428-T430 PolarHBondContact OD1-OG1 2.88Å
429	I	98.2	Very high	96.4	Very high	23 Å²	23	79.9 Å²	79.9	12%	0.118	40%	0.396	C	S	.	.			trans	-120.7	6.9	177.9	60.6	169.2	0	0	0	113.2	R401 H404 V405 Y426 D431 R432 V433	R401-I429 HydrophobicContact CB-CG2 4.28Å; R401-I429 HydrophobicContact CG-CG2 4.21Å; H404-I429 HydrophobicContact CB-CD1 3.61Å; V405-I429 HydrophobicContact CG2-CB 3.9Å; V405-I429 HydrophobicContact CG2-CD1 3.9Å; V405-I429 HydrophobicContact CG2-CG1 4.42Å; V405-I429 HydrophobicContact CG2-CG2 4.27Å; Y426-I429 HydrophobicContact CD2-CG2 4.03Å; Y426-I429 HydrophobicContact CE2-CD1 3.96Å; Y426-I429 HydrophobicContact CE2-CG1 4.26Å; Y426-I429 HydrophobicContact CE2-CG2 4.34Å; I429-D431 VanDerWaalsContact C-N 3.35Å; I429-D431 PolarHBondContact O-N 2.86Å; I429-R432 WeakPolarHBondContact O-CB 3.41Å; I429-R432 PolarHBondContact O-N 2.91Å; I429-V433 HydrophobicContact CD1-CG2 4.16Å; I429-V433 HydrophobicContact CG1-CG2 4.25Å; I429-V433 PolarHBondContact O-N 2.85Å
430	T	98.4	Very high	96.6	Very high	67 Å²	67	82.6 Å²	82.6	41%	0.411	41%	0.406	S	S	.	.	H	α-helix	trans	-51.6	-50.7	-175.2	-62.4	0	0	0	0	112	N428 R432 V433 E434	N428-T430 WeakPolarHBondContact OD1-CB 3.38Å; N428-T430 PolarHBondContact OD1-N 3.13Å; N428-T430 PolarHBondContact OD1-OG1 2.88Å; T430-R432 PolarHBondContact O-N 2.78Å; T430-R432 VanDerWaalsContact O-N 3.17Å; T430-V433 PolarHBondContact O-N 3.2Å; T430-V433 VanDerWaalsContact O-N 3.08Å; T430-E434 HydrophobicContact CG2-CG 4.31Å; T430-E434 WeakPolarHBondContact CG2-OE1 3.33Å; T430-E434 WeakPolarHBondContact O-CG 3.25Å; T430-E434 PolarHBondContact O-N 3.2Å
431	D	97.8	Very high	96.9	Very high	98 Å²	98	78.6 Å²	78.6	52%	0.524	39%	0.389	S	S	.	.	H	α-helix	trans	-58	-34.8	179.7	-58.9	2.6	0	0	0	112.8	I429 L435	I429-D431 VanDerWaalsContact C-N 3.35Å; I429-D431 PolarHBondContact O-N 2.86Å; D431-L435 WeakPolarHBondContact O-CB 3.35Å; D431-L435 PolarHBondContact O-N 2.73Å
432	R	98.4	Very high	97.1	Very high	32 Å²	32	83.7 Å²	83.7	12%	0.121	41%	0.412	C	S	.	.	H	α-helix	trans	-74.9	-38.4	179.6	-57.9	-57.9	92.1	173.1	8.7	111.3	G341 D344 V405 I429 T430 L435 R436	G341-R432 PolarHBondContact O-NH1 3.31Å; D344-R432 HydrophobicContact CB-CG 4.37Å; V405-R432 HydrophobicContact CG1-CB 3.96Å; V405-R432 HydrophobicContact CG2-CB 3.78Å; I429-R432 WeakPolarHBondContact O-CB 3.41Å; I429-R432 PolarHBondContact O-N 2.91Å; T430-R432 PolarHBondContact O-N 2.78Å; T430-R432 VanDerWaalsContact O-N 3.17Å; R432-L435 PolarHBondContact O-N 2.82Å; R432-R436 PolarHBondContact O-N 3.16Å
433	V	98.3	Very high	97.4	Very high	48 Å²	48	80.9 Å²	80.9	29%	0.291	41%	0.409	S	S	.	.	H	α-helix	trans	-65.8	-43.2	174	174.9	0	0	0	0	110.9	V405 I429 T430 R436 K437	V405-V433 HydrophobicContact CG2-CG2 4.25Å; I429-V433 HydrophobicContact CD1-CG2 4.16Å; I429-V433 HydrophobicContact CG1-CG2 4.25Å; I429-V433 PolarHBondContact O-N 2.85Å; T430-V433 PolarHBondContact O-N 3.2Å; T430-V433 VanDerWaalsContact O-N 3.08Å; V433-R436 PolarHBondContact O-N 2.78Å; V433-K437 WeakPolarHBondContact O-CG 3.21Å; V433-K437 PolarHBondContact O-N 3.38Å; V433-K437 VanDerWaalsContact O-N 3.13Å
434	E	98.4	Very high	97.6	Very high	114 Å²	114	74.3 Å²	74.3	53%	0.533	37%	0.369	S	S	.	.	H	α-helix	trans	-65.1	-41.5	175.9	-72.2	-179.5	178.3	0	0	112.1	T430 R436 K437 R438	T430-E434 HydrophobicContact CG2-CG 4.31Å; T430-E434 WeakPolarHBondContact CG2-OE1 3.33Å; T430-E434 WeakPolarHBondContact O-CG 3.25Å; T430-E434 PolarHBondContact O-N 3.2Å; E434-R436 PolarHBondContact O-N 2.92Å; E434-K437 PolarHBondContact O-N 2.91Å; E434-R438 WeakPolarHBondContact O-CB 3.43Å; E434-R438 PolarHBondContact O-N 3.02Å
435	L	98.5	Very high	97.7	Very high	7 Å²	7	74.6 Å²	74.6	4%	0.037	37%	0.372	C	S	.	.	H	α-helix	trans	-56.6	-48	173	175.7	67.2	0	0	0	111.6	L340 D431 R432 K437 R438 L439	L340-L435 WeakPolarHBondContact O-CD2 3.35Å; D431-L435 WeakPolarHBondContact O-CB 3.35Å; D431-L435 PolarHBondContact O-N 2.73Å; R432-L435 PolarHBondContact O-N 2.82Å; L435-K437 VanDerWaalsContact C-N 3.29Å; L435-K437 PolarHBondContact O-N 2.65Å; L435-R438 PolarHBondContact O-N 2.66Å; L435-L439 HydrophobicContact CD1-CD1 3.74Å; L435-L439 HydrophobicContact CD1-CG 4.04Å; L435-L439 HydrophobicContact CG-CD1 4.05Å; L435-L439 WeakPolarHBondContact O-CB 3.18Å; L435-L439 WeakPolarHBondContact O-CG 3.37Å; L435-L439 PolarHBondContact O-N 2.86Å
436	R	98.5	Very high	97.9	Very high	37 Å²	37	72.2 Å²	72.2	14%	0.14	35%	0.353	C	S	.	.	H	α-helix	trans	-58.7	-40.9	177.8	-175.7	176.9	177.3	-162.5	-5.1	112	M363 V405 W406 D408 R432 V433 E434 N440 C441 K442	M363-R436 VanDerWaalsContact CE-NH2 3.33Å; V405-R436 VanDerWaalsContact O-CD 3.32Å; V405-R436 WeakPolarHBondContact O-CD 3.42Å; V405-R436 PolarHBondContact O-NH1 3.3Å; W406-R436 HydrophobicContact CE3-CG 4.24Å; W406-R436 HydrophobicContact CH2-CB 4Å; W406-R436 HydrophobicContact CH2-CG 4.07Å; W406-R436 HydrophobicContact CZ3-CB 4.13Å; W406-R436 HydrophobicContact CZ3-CG 3.68Å; D408-R436 VanDerWaalsContact CG-NH2 3.33Å; D408-R436 IonicContact OD1-CZ 3.78Å; D408-R436 VanDerWaalsContact OD1-CZ 3.22Å; D408-R436 IonicContact OD1-NH1 2.83Å; D408-R436 PolarHBondContact OD1-NH1 2.86Å; D408-R436 IonicContact OD1-NH2 3.57Å; D408-R436 PolarHBondContact OD1-NH2 3.19Å; D408-R436 IonicContact OD2-CZ 3.15Å; D408-R436 IonicContact OD2-NH1 3.38Å; D408-R436 IonicContact OD2-NH2 2.75Å; D408-R436 PolarHBondContact OD2-NH2 2.89Å; R432-R436 PolarHBondContact O-N 3.16Å; V433-R436 PolarHBondContact O-N 2.78Å; E434-R436 PolarHBondContact O-N 2.92Å; R436-N440 PolarHBondContact O-N 3.15Å; R436-C441 HydrophobicContact CG-CB 3.9Å; R436-C441 PolarHBondContact O-N 3.4Å; R436-C441 PolarHBondContact O-SG 3.3Å; R436-C441 VanDerWaalsContact O-SG 3.41Å; R436-K442 PolarHBondContact NH2-O 3.47Å
437	K	98.3	Very high	98	Very high	158 Å²	158	69.2 Å²	69.2	69%	0.687	34%	0.342	S	S	*	.	H	α-helix	trans	-66.1	-48.1	175.3	-69.5	174.3	-178.3	177.5	0	111.7	V433 E434 L435 L439 N440	V433-K437 WeakPolarHBondContact O-CG 3.21Å; V433-K437 PolarHBondContact O-N 3.38Å; V433-K437 VanDerWaalsContact O-N 3.13Å; E434-K437 PolarHBondContact O-N 2.91Å; L435-K437 VanDerWaalsContact C-N 3.29Å; L435-K437 PolarHBondContact O-N 2.65Å; K437-L439 VanDerWaalsContact C-N 3.32Å; K437-L439 PolarHBondContact O-N 2.99Å; K437-N440 PolarHBondContact O-N 3.41Å
438	R	98.3	Very high	98	Very high	187 Å²	187	67.6 Å²	67.6	71%	0.706	33%	0.325	S	S	*	.	H	α-helix	trans	-61	-39.1	-178.2	-177.4	178.7	65	176.6	1.6	112.6	E434 L435 N440	E434-R438 WeakPolarHBondContact O-CB 3.43Å; E434-R438 PolarHBondContact O-N 3.02Å; L435-R438 PolarHBondContact O-N 2.66Å; R438-N440 PolarHBondContact O-N 3.49Å
439	L	98.1	Very high	97.9	Very high	54 Å²	54	65.2 Å²	65.2	28%	0.283	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-1.7	177.1	-66.7	178.7	0	0	0	113.3	L340 C364 L435 K437 C441	L340-L439 HydrophobicContact CD2-CD1 4.13Å; C364-L439 HydrophobicContact CB-CB 4.31Å; C364-L439 HydrophobicContact CB-CD1 4.29Å; L435-L439 HydrophobicContact CD1-CD1 3.74Å; L435-L439 HydrophobicContact CD1-CG 4.04Å; L435-L439 HydrophobicContact CG-CD1 4.05Å; L435-L439 WeakPolarHBondContact O-CB 3.18Å; L435-L439 WeakPolarHBondContact O-CG 3.37Å; L435-L439 PolarHBondContact O-N 2.86Å; K437-L439 VanDerWaalsContact C-N 3.32Å; K437-L439 PolarHBondContact O-N 2.99Å; L439-C441 VanDerWaalsContact C-N 3.28Å; L439-C441 WeakPolarHBondContact CB-SG 3.39Å; L439-C441 PolarHBondContact O-N 2.83Å
440	N	98.1	Very high	97.7	Very high	134 Å²	134	68.7 Å²	68.7	72%	0.717	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	45.3	-178	-167	30.8	0	0	0	112.8	R436 K437 R438	R436-N440 PolarHBondContact O-N 3.15Å; K437-N440 PolarHBondContact O-N 3.41Å; R438-N440 PolarHBondContact O-N 3.49Å
441	C	98.6	Very high	97.6	Very high	20 Å²	20	66.7 Å²	66.7	14%	0.135	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-70.6	149.2	-175	-47.9	0	0	0	0	111.7	M363 C364 W406 R436 L439	M363-C441 HydrophobicContact CB-CB 4.25Å; M363-C441 CarbonylContact O-C 3.3Å; M363-C441 VanDerWaalsContact O-CA 3.23Å; M363-C441 WeakPolarHBondContact O-CA 3.22Å; M363-C441 WeakPolarHBondContact O-CB 3.48Å; C364-C441 HydrophobicContact CB-CB 4.06Å; C364-C441 WeakPolarHBondContact CB-SG 3.05Å; C364-C441 WeakPolarHBondContact SG-CB 3.47Å; C364-C441 CovalentContact SG-SG 2.03Å; C364-C441 PolarHBondContact SG-SG 2.85Å; W406-C441 HydrophobicContact CZ3-CB 4.24Å; R436-C441 HydrophobicContact CG-CB 3.9Å; R436-C441 PolarHBondContact O-N 3.4Å; R436-C441 PolarHBondContact O-SG 3.3Å; R436-C441 VanDerWaalsContact O-SG 3.41Å; L439-C441 VanDerWaalsContact C-N 3.28Å; L439-C441 WeakPolarHBondContact CB-SG 3.39Å; L439-C441 PolarHBondContact O-N 2.83Å
442	K	98.6	Very high	97.4	Very high	110 Å²	110	62.1 Å²	62.1	48%	0.478	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-66.8	168.4	176.4	-55.6	-58.9	-176.8	-176	0	112.1	M363 R436 W446	M363-K442 WeakPolarHBondContact CE-O 3.39Å; M363-K442 PolarHBondContact O-N 2.9Å; R436-K442 PolarHBondContact NH2-O 3.47Å; K442-W446 HydrophobicContact CB-CB 3.98Å; K442-W446 HydrophobicContact CB-CD2 3.62Å; K442-W446 HydrophobicContact CB-CE3 3.52Å; K442-W446 HydrophobicContact CB-CG 3.81Å; K442-W446 HydrophobicContact CB-CZ3 4.29Å; K442-W446 HydrophobicContact CG-CD2 3.72Å; K442-W446 HydrophobicContact CG-CE3 3.82Å; K442-W446 HydrophobicContact CG-CG 4.12Å; K442-W446 HydrophobicContact CG-CZ2 4.48Å; K442-W446 HydrophobicContact CG-CZ3 4.26Å
443	S	98.4	Very high	97	Very high	52 Å²	52	62.4 Å²	62.4	36%	0.364	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-76.1	160	174.4	62	0	0	0	0	111.9	D408 K445 W446 Y447	D408-S443 WeakPolarHBondContact OD2-CA 3.21Å; D408-S443 WeakPolarHBondContact OD2-CB 3.18Å; S443-K445 PolarHBondContact O-N 2.92Å; S443-W446 WeakPolarHBondContact O-CB 3.28Å; S443-W446 PolarHBondContact O-N 2.72Å; S443-W446 VanDerWaalsContact O-N 3.14Å; S443-W446 PolarHBondContact OG-N 3.17Å; S443-Y447 PolarHBondContact O-N 3.42Å; S443-Y447 VanDerWaalsContact O-N 3.14Å
444	F	98.1	Very high	96.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.6	-32.6	173	-162	-109.8	0	0	0	111.6	F294 W296 F359 M363 W406 M407 D408 Y410 W446 Y447 L448	F294-F444 AromaticContact CZ-CZ 3.85Å; F294-F444 HydrophobicContact CZ-CZ 3.85Å; W296-F444 HydrophobicContact CH2-CE1 4.39Å; W296-F444 HydrophobicContact CZ3-CE1 4.3Å; F359-F444 HydrophobicContact CD1-CE2 4.29Å; F359-F444 AromaticContact CD2-CE2 3.77Å; F359-F444 HydrophobicContact CD2-CE2 3.77Å; F359-F444 HydrophobicContact CE1-CE2 4.17Å; F359-F444 AromaticContact CE2-CE2 3.6Å; F359-F444 HydrophobicContact CE2-CE2 3.6Å; F359-F444 HydrophobicContact CE2-CZ 4.05Å; F359-F444 HydrophobicContact CG-CE2 4.12Å; F359-F444 AromaticContact CZ-CE2 3.84Å; F359-F444 HydrophobicContact CZ-CE2 3.84Å; F359-F444 HydrophobicContact CZ-CZ 4.04Å; M363-F444 HydrophobicContact CE-CB 4.44Å; M363-F444 HydrophobicContact SD-CD2 4.1Å; W406-F444 WeakPolarHBondContact O-CB 3.46Å; W406-F444 VanDerWaalsContact O-CD2 3.23Å; W406-F444 WeakPolarHBondContact O-CD2 3.07Å; M407-F444 HydrophobicContact CB-CD1 4.42Å; M407-F444 HydrophobicContact CB-CG 4.42Å; M407-F444 HydrophobicContact CE-CE1 4.36Å; M407-F444 HydrophobicContact CE-CZ 4.44Å; M407-F444 HydrophobicContact CG-CD2 4.35Å; M407-F444 HydrophobicContact CG-CE1 4.34Å; M407-F444 HydrophobicContact CG-CE2 4.1Å; M407-F444 HydrophobicContact CG-CZ 4.07Å; D408-F444 HydrophobicContact CB-CB 4.38Å; D408-F444 PolarHBondContact OD2-N 3.03Å; Y410-F444 HydrophobicContact CD2-CB 4.32Å; Y410-F444 AromaticContact CD2-CD1 3.8Å; Y410-F444 HydrophobicContact CD2-CD1 3.8Å; Y410-F444 AromaticContact CG-CD1 3.74Å; Y410-F444 HydrophobicContact CG-CD1 3.74Å; Y410-F444 HydrophobicContact CG-CE1 4.3Å; F444-W446 VanDerWaalsContact C-N 3.33Å; F444-W446 PolarHBondContact O-N 2.93Å; F444-Y447 HydrophobicContact CD2-CD1 4.18Å; F444-Y447 AromaticContact CE2-CD1 3.81Å; F444-Y447 HydrophobicContact CE2-CD1 3.81Å; F444-Y447 HydrophobicContact CE2-CE1 4.18Å; F444-Y447 HydrophobicContact CZ-CD1 4.21Å; F444-Y447 HydrophobicContact CZ-CE1 4.4Å; F444-Y447 WeakPolarHBondContact O-CB 3.42Å; F444-Y447 PolarHBondContact O-N 2.62Å; F444-Y447 VanDerWaalsContact O-N 3.15Å; F444-L448 HydrophobicContact CD1-CD1 3.9Å; F444-L448 HydrophobicContact CD1-CG 4.09Å; F444-L448 HydrophobicContact CE1-CD1 3.84Å; F444-L448 HydrophobicContact CE1-CD2 4.1Å; F444-L448 HydrophobicContact CE1-CG 3.95Å; F444-L448 HydrophobicContact CZ-CD2 4.42Å; F444-L448 PolarHBondContact O-N 2.94Å
445	K	96.6	Very high	95.8	Very high	86 Å²	86	58.5 Å²	58.5	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-55.2	-48.4	169.2	177	160.7	172.9	40.4	0	111.6	Y410 S443 Y447 L448 D449	Y410-K445 HydrophobicContact CE2-CB 3.84Å; S443-K445 PolarHBondContact O-N 2.92Å; K445-Y447 VanDerWaalsContact C-N 3.29Å; K445-Y447 PolarHBondContact O-N 3.07Å; K445-L448 PolarHBondContact O-N 3.27Å; K445-D449 WeakPolarHBondContact CG-OD2 3.4Å; K445-D449 VanDerWaalsContact NZ-CG 3.34Å; K445-D449 IonicContact NZ-OD1 2.84Å; K445-D449 PolarHBondContact NZ-OD1 3.43Å; K445-D449 VanDerWaalsContact NZ-OD1 3.15Å; K445-D449 IonicContact NZ-OD2 3.06Å; K445-D449 PolarHBondContact NZ-OD2 3.11Å; K445-D449 WeakPolarHBondContact O-CB 3.4Å; K445-D449 VanDerWaalsContact O-CG 3.23Å; K445-D449 PolarHBondContact O-N 3.17Å
446	W	97.8	Very high	94.6	Very high	78 Å²	78	59.9 Å²	59.9	30%	0.295	28%	0.284	S	S	.	.	H	α-helix	trans	-59.4	-41.8	176.7	175.4	91.5	0	0	0	111.4	K442 S443 F444 D449 N450 I451	K442-W446 HydrophobicContact CB-CB 3.98Å; K442-W446 HydrophobicContact CB-CD2 3.62Å; K442-W446 HydrophobicContact CB-CE3 3.52Å; K442-W446 HydrophobicContact CB-CG 3.81Å; K442-W446 HydrophobicContact CB-CZ3 4.29Å; K442-W446 HydrophobicContact CG-CD2 3.72Å; K442-W446 HydrophobicContact CG-CE3 3.82Å; K442-W446 HydrophobicContact CG-CG 4.12Å; K442-W446 HydrophobicContact CG-CZ2 4.48Å; K442-W446 HydrophobicContact CG-CZ3 4.26Å; S443-W446 WeakPolarHBondContact O-CB 3.28Å; S443-W446 PolarHBondContact O-N 2.72Å; S443-W446 VanDerWaalsContact O-N 3.14Å; S443-W446 PolarHBondContact OG-N 3.17Å; F444-W446 VanDerWaalsContact C-N 3.33Å; F444-W446 PolarHBondContact O-N 2.93Å; W446-D449 PolarHBondContact O-N 3.31Å; W446-N450 HydrophobicContact CD2-CB 4.41Å; W446-N450 HydrophobicContact CZ2-CB 4.13Å; W446-N450 PolarHBondContact NE1-ND2 2.8Å; W446-N450 WeakPolarHBondContact O-CB 3.34Å; W446-N450 PolarHBondContact O-N 3.41Å; W446-N450 PolarHBondContact O-ND2 3.2Å; W446-I451 HydrophobicContact CH2-CD1 4.13Å; W446-I451 HydrophobicContact CH2-CG1 4.23Å; W446-I451 HydrophobicContact CZ3-CD1 4.42Å; W446-I451 HydrophobicContact CZ3-CG1 4.02Å
447	Y	98.2	Very high	92.9	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.4	-47.1	175.8	169.7	-91	0	0	0	111.7	F294 P323 F359 W362 M363 S443 F444 K445 D449 N450 I451 Y452	F294-Y447 HydrophobicContact CE1-CE1 4.13Å; P323-Y447 WeakPolarHBondContact CB-OH 3.23Å; P323-Y447 PolarHBondContact O-OH 3.24Å; F359-Y447 HydrophobicContact CD1-CE1 4.13Å; F359-Y447 HydrophobicContact CD1-CE2 4.14Å; F359-Y447 AromaticContact CD1-CZ 3.79Å; F359-Y447 AromaticContact CE1-CE1 3.97Å; F359-Y447 HydrophobicContact CE1-CE1 3.97Å; F359-Y447 AromaticContact CE1-CZ 3.85Å; W362-Y447 HydrophobicContact CB-CD2 3.81Å; W362-Y447 HydrophobicContact CB-CE2 4Å; W362-Y447 AromaticContact CD1-CE2 3.82Å; W362-Y447 HydrophobicContact CG-CD2 4.32Å; W362-Y447 HydrophobicContact CG-CE2 4.1Å; M363-Y447 HydrophobicContact CG-CD2 4.41Å; M363-Y447 HydrophobicContact CG-CG 4.47Å; S443-Y447 PolarHBondContact O-N 3.42Å; S443-Y447 VanDerWaalsContact O-N 3.14Å; F444-Y447 HydrophobicContact CD2-CD1 4.18Å; F444-Y447 AromaticContact CE2-CD1 3.81Å; F444-Y447 HydrophobicContact CE2-CD1 3.81Å; F444-Y447 HydrophobicContact CE2-CE1 4.18Å; F444-Y447 HydrophobicContact CZ-CD1 4.21Å; F444-Y447 HydrophobicContact CZ-CE1 4.4Å; F444-Y447 WeakPolarHBondContact O-CB 3.42Å; F444-Y447 PolarHBondContact O-N 2.62Å; F444-Y447 VanDerWaalsContact O-N 3.15Å; K445-Y447 VanDerWaalsContact C-N 3.29Å; K445-Y447 PolarHBondContact O-N 3.07Å; Y447-D449 VanDerWaalsContact C-N 3.35Å; Y447-D449 PolarHBondContact O-N 3.25Å; Y447-N450 PolarHBondContact O-N 3.24Å; Y447-I451 HydrophobicContact CD2-CB 3.81Å; Y447-I451 HydrophobicContact CD2-CG1 3.97Å; Y447-I451 HydrophobicContact CD2-CG2 4.05Å; Y447-I451 HydrophobicContact CE2-CB 3.91Å; Y447-I451 HydrophobicContact CE2-CG1 4.42Å; Y447-I451 HydrophobicContact CE2-CG2 3.64Å; Y447-I451 HydrophobicContact CG-CB 4.41Å; Y447-I451 WeakPolarHBondContact O-CA 3.38Å; Y447-I451 VanDerWaalsContact O-CB 3.26Å; Y447-I451 WeakPolarHBondContact O-CB 3.32Å; Y447-I451 PolarHBondContact O-N 2.96Å; Y447-Y452 PolarHBondContact O-N 3.5Å; Y447-Y452 VanDerWaalsContact O-N 3.11Å
448	L	95.6	Very high	90.7	Very high	1 Å²	1	60 Å²	60	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-65.9	-35.5	176.2	-66.4	176.6	0	0	0	112.5	W296 Y410 F444 K445 Y452 P453 M455 Q456	W296-L448 HydrophobicContact CH2-CD1 4.04Å; Y410-L448 HydrophobicContact CD1-CD1 3.61Å; Y410-L448 HydrophobicContact CE1-CD1 3.5Å; Y410-L448 HydrophobicContact CG-CD1 4.15Å; F444-L448 HydrophobicContact CD1-CD1 3.9Å; F444-L448 HydrophobicContact CD1-CG 4.09Å; F444-L448 HydrophobicContact CE1-CD1 3.84Å; F444-L448 HydrophobicContact CE1-CD2 4.1Å; F444-L448 HydrophobicContact CE1-CG 3.95Å; F444-L448 HydrophobicContact CZ-CD2 4.42Å; F444-L448 PolarHBondContact O-N 2.94Å; K445-L448 PolarHBondContact O-N 3.27Å; L448-Y452 CarbonylContact O-C 3.59Å; L448-P453 WeakPolarHBondContact O-CA 3.38Å; L448-M455 HydrophobicContact CD2-CB 4.07Å; L448-M455 HydrophobicContact CD2-CG 4.15Å; L448-Q456 VanDerWaalsContact C-NE2 3.33Å; L448-Q456 HydrophobicContact CB-CG 4.23Å; L448-Q456 PolarHBondContact O-NE2 3.09Å; L448-Q456 VanDerWaalsContact O-NE2 3.09Å
449	D	94.3	Very high	88.4	Confident	63 Å²	63	53.1 Å²	53.1	34%	0.337	29%	0.289	S	S	.	.	H	α-helix	trans	-74	-32	-179.3	-68.6	-23.9	0	0	0	112.6	K445 W446 Y447 Q456	K445-D449 WeakPolarHBondContact CG-OD2 3.4Å; K445-D449 VanDerWaalsContact NZ-CG 3.34Å; K445-D449 IonicContact NZ-OD1 2.84Å; K445-D449 PolarHBondContact NZ-OD1 3.43Å; K445-D449 VanDerWaalsContact NZ-OD1 3.15Å; K445-D449 IonicContact NZ-OD2 3.06Å; K445-D449 PolarHBondContact NZ-OD2 3.11Å; K445-D449 WeakPolarHBondContact O-CB 3.4Å; K445-D449 VanDerWaalsContact O-CG 3.23Å; K445-D449 PolarHBondContact O-N 3.17Å; W446-D449 PolarHBondContact O-N 3.31Å; Y447-D449 VanDerWaalsContact C-N 3.35Å; Y447-D449 PolarHBondContact O-N 3.25Å; D449-Q456 PolarHBondContact OD1-NE2 3.03Å
450	N	94.9	Very high	85.9	Confident	96 Å²	96	57.1 Å²	57.1	51%	0.513	32%	0.318	S	S	.	.	H	α-helix	trans	-113	-28.9	-167.7	-65.4	-95.6	0	0	0	114.1	W446 Y447	W446-N450 HydrophobicContact CD2-CB 4.41Å; W446-N450 HydrophobicContact CZ2-CB 4.13Å; W446-N450 PolarHBondContact NE1-ND2 2.8Å; W446-N450 WeakPolarHBondContact O-CB 3.34Å; W446-N450 PolarHBondContact O-N 3.41Å; W446-N450 PolarHBondContact O-ND2 3.2Å; Y447-N450 PolarHBondContact O-N 3.24Å
451	I	95.3	Very high	83.6	Confident	26 Å²	26	55.9 Å²	55.9	13%	0.133	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-40.3	-173.5	-53.5	-53.6	0	0	0	111.3	P323 W362 W446 Y447	P323-I451 HydrophobicContact CB-CG2 4.4Å; W362-I451 HydrophobicContact CB-CG1 4.19Å; W362-I451 HydrophobicContact CD2-CD1 3.75Å; W362-I451 HydrophobicContact CD2-CG1 3.94Å; W362-I451 HydrophobicContact CD2-CG2 3.76Å; W362-I451 HydrophobicContact CE3-CD1 3.32Å; W362-I451 HydrophobicContact CE3-CG1 3.98Å; W362-I451 HydrophobicContact CE3-CG2 4.47Å; W362-I451 HydrophobicContact CG-CD1 4.4Å; W362-I451 HydrophobicContact CG-CG1 4.07Å; W362-I451 HydrophobicContact CG-CG2 3.83Å; W362-I451 HydrophobicContact CH2-CD1 4.23Å; W362-I451 HydrophobicContact CZ2-CG2 4.23Å; W362-I451 HydrophobicContact CZ3-CD1 3.6Å; W446-I451 HydrophobicContact CH2-CD1 4.13Å; W446-I451 HydrophobicContact CH2-CG1 4.23Å; W446-I451 HydrophobicContact CZ3-CD1 4.42Å; W446-I451 HydrophobicContact CZ3-CG1 4.02Å; Y447-I451 HydrophobicContact CD2-CB 3.81Å; Y447-I451 HydrophobicContact CD2-CG1 3.97Å; Y447-I451 HydrophobicContact CD2-CG2 4.05Å; Y447-I451 HydrophobicContact CE2-CB 3.91Å; Y447-I451 HydrophobicContact CE2-CG1 4.42Å; Y447-I451 HydrophobicContact CE2-CG2 3.64Å; Y447-I451 HydrophobicContact CG-CB 4.41Å; Y447-I451 WeakPolarHBondContact O-CA 3.38Å; Y447-I451 VanDerWaalsContact O-CB 3.26Å; Y447-I451 WeakPolarHBondContact O-CB 3.32Å; Y447-I451 PolarHBondContact O-N 2.96Å
452	Y	94.3	Very high	81.2	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.008	32%	0.319	C	S	.	.			trans	-137.3	61.2	-176.5	-160.9	-157.2	0	0	0	113.8	F294 K301 D303 P323 Y447 L448 E454 M455	F294-Y452 HydrophobicContact CD1-CD1 4.05Å; F294-Y452 AromaticContact CD1-CE1 3.77Å; F294-Y452 HydrophobicContact CD1-CE1 3.77Å; F294-Y452 AromaticContact CE1-CD1 3.65Å; F294-Y452 HydrophobicContact CE1-CD1 3.65Å; F294-Y452 AromaticContact CE1-CE1 3.76Å; F294-Y452 HydrophobicContact CE1-CE1 3.76Å; K301-Y452 VanDerWaalsContact CE-OH 3.23Å; K301-Y452 WeakPolarHBondContact CE-OH 3.21Å; K301-Y452 PolarHBondContact NZ-OH 3.48Å; K301-Y452 VanDerWaalsContact NZ-OH 3.12Å; D303-Y452 WeakPolarHBondContact OD2-CE2 3.48Å; D303-Y452 VanDerWaalsContact OD2-CZ 3.27Å; D303-Y452 PolarHBondContact OD2-OH 2.94Å; P323-Y452 HydrophobicContact CB-CD1 4.03Å; P323-Y452 HydrophobicContact CB-CD2 4.08Å; P323-Y452 HydrophobicContact CB-CG 3.77Å; P323-Y452 HydrophobicContact CG-CD1 4.46Å; P323-Y452 HydrophobicContact CG-CD2 3.6Å; P323-Y452 HydrophobicContact CG-CE2 4.12Å; P323-Y452 HydrophobicContact CG-CG 3.8Å; Y447-Y452 PolarHBondContact O-N 3.5Å; Y447-Y452 VanDerWaalsContact O-N 3.11Å; L448-Y452 CarbonylContact O-C 3.59Å; Y452-E454 WeakPolarHBondContact CD2-OE2 3.3Å; Y452-E454 HydrophobicContact CE2-CB 4.5Å; Y452-E454 PolarHBondContact O-N 2.76Å; Y452-M455 HydrophobicContact CD1-CB 3.46Å; Y452-M455 VanDerWaalsContact CD1-CB 3.46Å; Y452-M455 HydrophobicContact CD1-CG 3.9Å; Y452-M455 HydrophobicContact CD2-CB 4.32Å; Y452-M455 HydrophobicContact CE1-CB 3.55Å; Y452-M455 HydrophobicContact CE1-CG 3.74Å; Y452-M455 HydrophobicContact CE1-SD 4.05Å; Y452-M455 HydrophobicContact CE2-CB 4.4Å; Y452-M455 HydrophobicContact CG-CB 3.87Å; Y452-M455 WeakPolarHBondContact O-CB 3.41Å; Y452-M455 PolarHBondContact O-N 2.78Å
453	P	90.3	Very high	78.7	Confident	37 Å²	37	59 Å²	59	24%	0.24	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-62.5	-25.7	-177.5	26	-34.9	0	0	0	113.8	L448 M455 Q456	L448-P453 WeakPolarHBondContact O-CA 3.38Å; P453-M455 PolarHBondContact O-N 2.8Å; P453-Q456 WeakPolarHBondContact O-CB 3.2Å; P453-Q456 WeakPolarHBondContact O-CG 3.48Å; P453-Q456 PolarHBondContact O-N 3.21Å
454	E	85.4	Confident	76.1	Confident	64 Å²	64	61.5 Å²	61.5	30%	0.299	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-70.7	-14.4	-179.7	-52.2	87.4	162.6	0	0	113.2	R291 Y452 Q456	R291-E454 IonicContact CZ-OE1 3.48Å; R291-E454 IonicContact NH1-OE1 2.67Å; R291-E454 IonicContact NH2-OE1 3.68Å; R291-E454 PolarHBondContact NH2-OE1 2.76Å; R291-E454 IonicContact NH2-OE2 3.62Å; R291-E454 PolarHBondContact NH2-OE2 2.74Å; Y452-E454 WeakPolarHBondContact CD2-OE2 3.3Å; Y452-E454 HydrophobicContact CE2-CB 4.5Å; Y452-E454 PolarHBondContact O-N 2.76Å; E454-Q456 VanDerWaalsContact C-N 3.33Å
455	M	85.3	Confident	73.6	Confident	16 Å²	16	68 Å²	68	8%	0.079	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-83.3	-9.8	177.2	-169.9	56.4	173.7	0	0	113.1	F294 W296 L448 Y452 P453 I457	F294-M455 HydrophobicContact CD2-CE 4.04Å; F294-M455 HydrophobicContact CE1-CG 4.49Å; F294-M455 HydrophobicContact CE2-CE 3.74Å; F294-M455 HydrophobicContact CZ-CE 4.06Å; F294-M455 HydrophobicContact CZ-CG 4.22Å; F294-M455 VanDerWaalsContact O-CE 3.24Å; F294-M455 WeakPolarHBondContact O-CE 3.41Å; W296-M455 HydrophobicContact CB-CE 4.47Å; W296-M455 HydrophobicContact CD2-CE 3.64Å; W296-M455 HydrophobicContact CE3-CE 4.35Å; W296-M455 HydrophobicContact CG-CE 3.66Å; W296-M455 HydrophobicContact CZ2-CE 4.21Å; W296-M455 HydrophobicContact CZ2-CG 4.04Å; L448-M455 HydrophobicContact CD2-CB 4.07Å; L448-M455 HydrophobicContact CD2-CG 4.15Å; Y452-M455 HydrophobicContact CD1-CB 3.46Å; Y452-M455 VanDerWaalsContact CD1-CB 3.46Å; Y452-M455 HydrophobicContact CD1-CG 3.9Å; Y452-M455 HydrophobicContact CD2-CB 4.32Å; Y452-M455 HydrophobicContact CE1-CB 3.55Å; Y452-M455 HydrophobicContact CE1-CG 3.74Å; Y452-M455 HydrophobicContact CE1-SD 4.05Å; Y452-M455 HydrophobicContact CE2-CB 4.4Å; Y452-M455 HydrophobicContact CG-CB 3.87Å; Y452-M455 WeakPolarHBondContact O-CB 3.41Å; Y452-M455 PolarHBondContact O-N 2.78Å; P453-M455 PolarHBondContact O-N 2.8Å; M455-I457 PolarHBondContact O-N 3.4Å
456	Q	72.9	Confident	70.9	Confident	37 Å²	37	71.9 Å²	71.9	17%	0.173	40%	0.403	C	S	.	.			trans	-69.3	126.1	-178	-63.4	-169.1	14.2	0	0	111.5	L448 D449 P453 E454 A462	L448-Q456 VanDerWaalsContact C-NE2 3.33Å; L448-Q456 HydrophobicContact CB-CG 4.23Å; L448-Q456 PolarHBondContact O-NE2 3.09Å; L448-Q456 VanDerWaalsContact O-NE2 3.09Å; D449-Q456 PolarHBondContact OD1-NE2 3.03Å; P453-Q456 WeakPolarHBondContact O-CB 3.2Å; P453-Q456 WeakPolarHBondContact O-CG 3.48Å; P453-Q456 PolarHBondContact O-N 3.21Å; E454-Q456 VanDerWaalsContact C-N 3.33Å; Q456-A462 WeakPolarHBondContact O-CB 3.13Å
457	I	62.7	Low	68	Low	97 Å²	97	72.4 Å²	72.4	50%	0.497	42%	0.416	S	S	.	.	S	Bend	trans	-76.2	-29.1	-178.7	-58.9	165.9	0	0	0	111.7	W296 Q413 M455	W296-I457 HydrophobicContact CD2-CD1 4.41Å; W296-I457 HydrophobicContact CZ2-CD1 4.07Å; W296-I457 HydrophobicContact CZ2-CG1 4.27Å; Q413-I457 HydrophobicContact CG-CD1 4.32Å; M455-I457 PolarHBondContact O-N 3.4Å
458	S	52.8	Low	64.9	Low	101 Å²	101	77.4 Å²	77.4	71%	0.706	45%	0.447	S	S	*	.	S	Bend	trans	-145.2	134.6	-176.2	-55.8	0	0	0	0	111.9
459	G	50.8	Low	62.2	Low	42 Å²	42	84.5 Å²	84.5	43%	0.433	48%	0.477	S	S	.	.	S	Bend	trans	146.6	169.4	178.8	0	0	0	0	0	112.4	N461 A462	G459-N461 PolarHBondContact O-N 3.21Å; G459-N461 VanDerWaalsContact O-N 3.09Å; G459-A462 VanDerWaalsContact O-CB 3.29Å; G459-A462 WeakPolarHBondContact O-CB 3.45Å; G459-A462 PolarHBondContact O-N 3.16Å
460	P	45.9	Very low	59.4	Low	137 Å²	137	87.8 Å²	87.8	89%	0.89	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.1	178.1	23.2	-32.4	0	0	0	113.5
461	N	48.6	Very low	56.7	Low	109 Å²	109	88.1 Å²	88.1	58%	0.583	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-1	175.6	-65.5	-22.2	0	0	0	113.9	G459 K463	G459-N461 PolarHBondContact O-N 3.21Å; G459-N461 VanDerWaalsContact O-N 3.09Å; N461-K463 PolarHBondContact O-N 3.24Å
462	A	47.7	Very low	54	Low	35 Å²	35	97.8 Å²	97.8	29%	0.289	53%	0.53	S	S	.	.			trans	-74.4	78.2	175.9	0	0	0	0	0	109.5	Q456 G459	Q456-A462 WeakPolarHBondContact O-CB 3.13Å; G459-A462 VanDerWaalsContact O-CB 3.29Å; G459-A462 WeakPolarHBondContact O-CB 3.45Å; G459-A462 PolarHBondContact O-N 3.16Å
463	K	47.7	Very low	51.5	Low	161 Å²	161	102 Å²	102	70%	0.7	57%	0.566	S	S	*	*			trans	-83.9	121.5	166	-71.2	-175.9	179.3	178.5	0	107	N461 Q465	N461-K463 PolarHBondContact O-N 3.24Å; K463-Q465 HydrophobicContact CB-CG 4.31Å; K463-Q465 PolarHBondContact O-N 2.71Å
464	A	43.9	Very low	49.7	Very low	103 Å²	103	107.5 Å²	107.5	85%	0.851	59%	0.588	S	S	*	*			trans	-61.9	81.5	154.9	0	0	0	0	0	107	Q466	A464-Q466 PolarHBondContact O-N 2.95Å
465	Q	45.1	Very low	48.5	Very low	138 Å²	138	112.7 Å²	112.7	65%	0.645	61%	0.61	S	S	*	*			trans	-66.7	95.1	165.3	-77.4	-174.9	4.6	0	0	104.9	K463 P467	K463-Q465 HydrophobicContact CB-CG 4.31Å; K463-Q465 PolarHBondContact O-N 2.71Å; Q465-P467 WeakPolarHBondContact O-CD 3.47Å
466	Q	39.2	Very low	47.8	Very low	166 Å²	166	122.8 Å²	122.8	78%	0.776	65%	0.647	S	S	*	*			trans	-53.1	127.6	150.9	-71	-145.3	-2.7	0	0	105.4	A464 V468	A464-Q466 PolarHBondContact O-N 2.95Å; Q466-V468 PolarHBondContact O-N 3.08Å
467	P	37	Very low	48.2	Very low	89 Å²	89	123 Å²	123	58%	0.578	65%	0.651	S	S	*	*			trans	-60.2	100.7	169.3	24.3	-29.4	0	0	0	105.3	Q465 F469	Q465-P467 WeakPolarHBondContact O-CD 3.47Å; P467-F469 HydrophobicContact CB-CD2 4.02Å; P467-F469 HydrophobicContact CB-CE2 3.92Å; P467-F469 HydrophobicContact CG-CD2 4.28Å; P467-F469 HydrophobicContact CG-CE2 3.95Å; P467-F469 PolarHBondContact O-N 3.48Å
468	V	34	Very low	49.4	Very low	106 Å²	106	125.3 Å²	125.3	64%	0.642	66%	0.658	S	S	*	*			trans	-67.9	89.4	157.1	-177.3	0	0	0	0	102.1	Q466 I470	Q466-V468 PolarHBondContact O-N 3.08Å; V468-I470 HydrophobicContact CG1-CG1 4.04Å; V468-I470 PolarHBondContact O-N 2.71Å
469	F	37.2	Very low	51.2	Low	149 Å²	149	124.8 Å²	124.8	65%	0.654	65%	0.646	S	S	*	*			trans	-55.6	95.3	156.6	-77.9	-88.3	0	0	0	104	P467 N471	P467-F469 HydrophobicContact CB-CD2 4.02Å; P467-F469 HydrophobicContact CB-CE2 3.92Å; P467-F469 HydrophobicContact CG-CD2 4.28Å; P467-F469 HydrophobicContact CG-CE2 3.95Å; P467-F469 PolarHBondContact O-N 3.48Å; F469-N471 PolarHBondContact O-N 2.62Å
470	I	37	Very low	53.1	Low	132 Å²	132	127 Å²	127	68%	0.677	65%	0.648	S	S	*	*			trans	-67.9	77.2	152.9	-52.5	178.2	0	0	0	102.6	V468 R472	V468-I470 HydrophobicContact CG1-CG1 4.04Å; V468-I470 PolarHBondContact O-N 2.71Å; I470-R472 PolarHBondContact O-N 3.05Å
471	N	37.3	Very low	55.3	Low	104 Å²	104	124 Å²	124	56%	0.556	62%	0.622	S	S	*	*			trans	-53.8	92.5	145.9	-74.7	-21.7	0	0	0	102	F469 A473	F469-N471 PolarHBondContact O-N 2.62Å; N471-A473 WeakPolarHBondContact O-CA 3.38Å; N471-A473 PolarHBondContact O-N 3.33Å
472	R	38.2	Very low	57.5	Low	228 Å²	228	124.5 Å²	124.5	86%	0.86	62%	0.615	S	S	*	*			trans	-45.1	106.7	150.7	-87.4	-175.1	170.8	179.5	-1.5	102	I470 Q474	I470-R472 PolarHBondContact O-N 3.05Å; R472-Q474 PolarHBondContact O-N 3.46Å
473	A	41.6	Very low	59.7	Low	91 Å²	91	123.1 Å²	123.1	75%	0.752	60%	0.604	S	S	*	*			trans	-38.9	111	-161.4	0	0	0	0	0	107	N471 K475	N471-A473 WeakPolarHBondContact O-CA 3.38Å; N471-A473 PolarHBondContact O-N 3.33Å; A473-K475 VanDerWaalsContact C-N 3.34Å; A473-K475 PolarHBondContact O-N 3.05Å
474	Q	53.3	Low	61.9	Low	152 Å²	152	116.8 Å²	116.8	71%	0.71	58%	0.576	S	S	*	*			trans	-48.6	111.9	-178.1	-90.2	179.1	-34.9	0	0	104.3	R472 R476	R472-Q474 PolarHBondContact O-N 3.46Å; Q474-R476 PolarHBondContact O-N 2.82Å
475	K	61	Low	64.3	Low	174 Å²	174	111.9 Å²	111.9	76%	0.757	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-56.1	120.3	-173.3	-177	-174.9	175	-162.4	0	104.2	A473 P477	A473-K475 VanDerWaalsContact C-N 3.34Å; A473-K475 PolarHBondContact O-N 3.05Å; K475-P477 WeakPolarHBondContact O-CD 3.44Å; K475-P477 VanDerWaalsContact O-N 3.11Å
476	R	70.1	Confident	66.5	Low	227 Å²	227	107.9 Å²	107.9	86%	0.857	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-55.3	125.6	-179.9	-78.1	-173.2	179.4	179.4	0.5	106.8	Q474 K478	Q474-R476 PolarHBondContact O-N 2.82Å; R476-K478 PolarHBondContact O-N 3.39Å
477	P	80.6	Confident	69.1	Low	41 Å²	41	100 Å²	100	27%	0.266	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-57.4	134.7	-174.6	-25	34.6	0	0	0	109.3	K475 I479 N524 E525 D526	K475-P477 WeakPolarHBondContact O-CD 3.44Å; K475-P477 VanDerWaalsContact O-N 3.11Å; P477-I479 PolarHBondContact O-N 2.83Å; P477-N524 HydrophobicContact CB-CB 3.88Å; P477-E525 WeakPolarHBondContact CA-OE1 2.86Å; P477-E525 HydrophobicContact CB-CG 4.08Å; P477-D526 WeakPolarHBondContact CB-OD2 3.41Å; P477-D526 WeakPolarHBondContact CG-OD2 3.46Å
478	K	88.3	Confident	71.6	Confident	147 Å²	147	98.6 Å²	98.6	64%	0.639	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-61.6	128.1	175.5	-172.4	-179.2	174.9	-173.5	0	109.1	R476 I480 N524 E525	R476-K478 PolarHBondContact O-N 3.39Å; K478-I480 PolarHBondContact O-N 3.12Å; K478-N524 CarbonylContact O-C 3.57Å; K478-N524 WeakPolarHBondContact O-CA 3.45Å; K478-E525 HydrophobicContact CB-CB 4.41Å; K478-E525 HydrophobicContact CB-CG 4.23Å; K478-E525 WeakPolarHBondContact CB-OE2 3.17Å; K478-E525 VanDerWaalsContact N-CD 3.27Å; K478-E525 PolarHBondContact N-OE1 3.24Å; K478-E525 PolarHBondContact O-N 3.29Å
479	I	90.9	Very high	74.2	Confident	90 Å²	90	97.7 Å²	97.7	46%	0.462	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	124	172.3	-63	174.7	0	0	0	108	P477 Q481 V522	P477-I479 PolarHBondContact O-N 2.83Å; I479-Q481 WeakPolarHBondContact CG2-O 3.22Å; I479-V522 HydrophobicContact CB-CG1 4.33Å; I479-V522 HydrophobicContact CD1-CG1 3.86Å; I479-V522 HydrophobicContact CG1-CG1 3.71Å; I479-V522 HydrophobicContact CG2-CG1 3.83Å
480	I	91.6	Very high	76.6	Confident	89 Å²	89	91.9 Å²	91.9	46%	0.456	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-50.9	175	-64	-178	0	0	0	109.2	K478 Y523 N524 E525	K478-I480 PolarHBondContact O-N 3.12Å; I480-Y523 HydrophobicContact CB-CD1 4.13Å; I480-Y523 HydrophobicContact CD1-CE1 4.3Å; I480-Y523 HydrophobicContact CG2-CD1 4.29Å; I480-Y523 PolarHBondContact N-O 2.86Å; I480-N524 WeakPolarHBondContact CD1-O 3.32Å; I480-E525 HydrophobicContact CD1-CB 4.36Å; I480-E525 HydrophobicContact CG1-CB 4.48Å
481	Q	91.7	Very high	79.1	Confident	74 Å²	74	89.9 Å²	89.9	35%	0.346	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	150.4	-176.7	-81.9	172.1	4.6	0	0	110.6	I479 Y523 F606	I479-Q481 WeakPolarHBondContact CG2-O 3.22Å; Q481-Y523 PolarHBondContact N-O 3.34Å; Q481-Y523 VanDerWaalsContact N-O 3.09Å; Q481-Y523 PolarHBondContact O-N 3.02Å; Q481-F606 HydrophobicContact CB-CD1 4.08Å; Q481-F606 HydrophobicContact CB-CE1 3.82Å; Q481-F606 HydrophobicContact CB-CZ 4.26Å
482	R	93.8	Very high	81.7	Confident	118 Å²	118	86 Å²	86	45%	0.445	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	135	172.9	176.2	174.3	-176.8	165.2	-0	107.5	V520 W521 V522 S608	R482-V520 HydrophobicContact CG-CG1 3.87Å; R482-W521 WeakPolarHBondContact CA-O 3.45Å; R482-V522 HydrophobicContact CB-CG2 4.2Å; R482-V522 HydrophobicContact CG-CG2 3.87Å; R482-S608 VanDerWaalsContact O-OXT 3.09Å
483	G	93.8	Very high	84.4	Confident	6 Å²	6	75.1 Å²	75.1	6%	0.062	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.7	-156.1	-171.1	0	0	0	0	0	112.7	V520 W521 E607	G483-V520 CarbonylContact O-C 3.25Å; G483-V520 WeakPolarHBondContact O-CA 3.29Å; G483-W521 PolarHBondContact N-O 3.49Å; G483-W521 PolarHBondContact O-N 3.32Å; G483-E607 CarbonylContact C-O 3.51Å; G483-E607 WeakPolarHBondContact CA-O 3.39Å
484	R	94.2	Very high	86.9	Confident	29 Å²	29	70.8 Å²	70.8	11%	0.109	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.9	-176.5	-67.3	178.8	179.1	71.8	9.2	111	D513 Y514 Q519 E607	R484-D513 PolarHBondContact NE-O 3.44Å; R484-D513 PolarHBondContact NH2-O 2.77Å; R484-Y514 VanDerWaalsContact NH2-CA 3.28Å; R484-Y514 PolarHBondContact NH2-O 3.38Å; R484-Q519 HydrophobicContact CG-CB 4.44Å; R484-E607 PolarHBondContact N-O 2.92Å; R484-E607 PolarHBondContact O-N 2.79Å
485	L	94.2	Very high	88.8	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	104.6	174	-87.3	172.9	0	0	0	109.8	C493 L494 W521 L529 F564 F606	L485-C493 CarbonylContact O-C 3.48Å; L485-C493 VanDerWaalsContact O-CA 3.3Å; L485-C493 WeakPolarHBondContact O-CA 3.3Å; L485-L494 HydrophobicContact CB-CB 3.86Å; L485-L494 HydrophobicContact CB-CD2 4.46Å; L485-L494 HydrophobicContact CD1-CD2 3.82Å; L485-L494 PolarHBondContact O-N 2.84Å; L485-W521 HydrophobicContact CD1-CB 4.38Å; L485-W521 HydrophobicContact CD1-CD2 3.97Å; L485-W521 HydrophobicContact CD1-CG 3.9Å; L485-W521 HydrophobicContact CG-CG 4.24Å; L485-L529 HydrophobicContact CD1-CD1 3.83Å; L485-L529 HydrophobicContact CD1-CD2 3.93Å; L485-L529 HydrophobicContact CD1-CG 4.47Å; L485-F564 HydrophobicContact CD2-CE1 3.99Å; L485-F564 HydrophobicContact CD2-CZ 3.87Å; L485-F606 HydrophobicContact CD2-CB 4.36Å; L485-F606 HydrophobicContact CD2-CD2 3.52Å; L485-F606 HydrophobicContact CD2-CE2 4.19Å; L485-F606 HydrophobicContact CD2-CG 4.26Å; L485-F606 HydrophobicContact CG-CD2 3.87Å; L485-F606 HydrophobicContact CG-CE2 4.06Å
486	Y	91.9	Very high	90.4	Very high	54 Å²	54	55.8 Å²	55.8	21%	0.212	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.3	-174.4	-176.3	-91.4	0	0	0	111.5	L488 N491 W604 H605	Y486-L488 HydrophobicContact CD1-CD2 3.94Å; Y486-L488 HydrophobicContact CE1-CD2 4.02Å; Y486-N491 HydrophobicContact CE2-CB 4.02Å; Y486-N491 VanDerWaalsContact OH-CA 3.3Å; Y486-N491 WeakPolarHBondContact OH-CA 3.47Å; Y486-N491 WeakPolarHBondContact OH-CB 3.1Å; Y486-N491 PolarHBondContact OH-OD1 3.26Å; Y486-W604 CarbonylContact O-C 3.52Å; Y486-W604 VanDerWaalsContact O-CA 3.31Å; Y486-W604 WeakPolarHBondContact O-CA 3.37Å; Y486-H605 WeakPolarHBondContact CB-O 3.2Å; Y486-H605 HydrophobicContact CD1-CB 4.49Å; Y486-H605 PolarHBondContact N-O 3.31Å; Y486-H605 PolarHBondContact O-N 2.84Å
487	H	92.4	Very high	91.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.5	172.8	-177.7	-115.9	0	0	0	110.7	Q489 T490 N491 K492 V509 P601 Q603 W604	H487-Q489 VanDerWaalsContact C-N 3.33Å; H487-Q489 PolarHBondContact O-N 3.37Å; H487-T490 PolarHBondContact ND1-N 3Å; H487-T490 PolarHBondContact ND1-OG1 3.4Å; H487-T490 PolarHBondContact O-N 3.01Å; H487-N491 PolarHBondContact O-N 2.76Å; H487-K492 PolarHBondContact N-O 3.04Å; H487-V509 HydrophobicContact CB-CG1 4.45Å; H487-P601 VanDerWaalsContact NE2-C 3.29Å; H487-P601 WeakPolarHBondContact NE2-CA 3.05Å; H487-P601 PolarHBondContact NE2-O 2.91Å; H487-Q603 PolarHBondContact CD2-O 2.82Å; H487-W604 HydrophobicContact CB-CE3 4.09Å; H487-W604 HydrophobicContact CB-CH2 3.98Å; H487-W604 HydrophobicContact CB-CZ3 3.73Å; H487-W604 AromaticContact CD2-CZ2 3.86Å
488	L	89.9	Confident	91.8	Very high	60 Å²	60	48.5 Å²	48.5	31%	0.314	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-30.2	-168.3	-72.1	-177.7	0	0	0	114.5	Y486 N491 N568 Q603 H605	Y486-L488 HydrophobicContact CD1-CD2 3.94Å; Y486-L488 HydrophobicContact CE1-CD2 4.02Å; L488-N491 PolarHBondContact O-OD1 2.05Å; L488-N568 HydrophobicContact CD1-CB 4.41Å; L488-Q603 HydrophobicContact CB-CB 4.13Å; L488-Q603 HydrophobicContact CD1-CB 3.84Å; L488-Q603 HydrophobicContact CG-CB 4.28Å; L488-Q603 PolarHBondContact N-O 3.18Å; L488-H605 HydrophobicContact CD2-CB 3.82Å; L488-H605 HydrophobicContact CG-CB 4.33Å
489	Q	89.4	Confident	92	Very high	86 Å²	86	46.7 Å²	46.7	40%	0.402	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-35.9	-177.8	-171.3	-175.7	16.1	0	0	113	H487 L600	H487-Q489 VanDerWaalsContact C-N 3.33Å; H487-Q489 PolarHBondContact O-N 3.37Å; Q489-L600 HydrophobicContact CB-CB 4.31Å; Q489-L600 HydrophobicContact CG-CB 4.27Å
490	T	88.1	Confident	91.9	Very high	27 Å²	27	42.6 Å²	42.6	17%	0.166	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-10.4	-172.1	57.9	0	0	0	0	113.7	H487 K492 P584	H487-T490 PolarHBondContact ND1-N 3Å; H487-T490 PolarHBondContact ND1-OG1 3.4Å; H487-T490 PolarHBondContact O-N 3.01Å; T490-K492 PolarHBondContact O-N 3.2Å; T490-P584 HydrophobicContact CG2-CB 3.28Å
491	N	89.4	Confident	92	Very high	91 Å²	91	41.5 Å²	41.5	49%	0.487	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	32.3	-174	-56.2	-21.4	0	0	0	114.2	Y486 H487 L488	Y486-N491 HydrophobicContact CE2-CB 4.02Å; Y486-N491 VanDerWaalsContact OH-CA 3.3Å; Y486-N491 WeakPolarHBondContact OH-CA 3.47Å; Y486-N491 WeakPolarHBondContact OH-CB 3.1Å; Y486-N491 PolarHBondContact OH-OD1 3.26Å; H487-N491 PolarHBondContact O-N 2.76Å; L488-N491 PolarHBondContact O-OD1 2.05Å
492	K	92	Very high	92.1	Very high	22 Å²	22	43 Å²	43	10%	0.096	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	153.1	-176.7	-73.1	177.4	-178.8	170.6	0	110.6	H487 T490 V509 R510 E511 C512	H487-K492 PolarHBondContact N-O 3.04Å; T490-K492 PolarHBondContact O-N 3.2Å; K492-V509 HydrophobicContact CB-CB 3.87Å; K492-V509 HydrophobicContact CB-CG2 4.39Å; K492-V509 HydrophobicContact CD-CB 4.48Å; K492-V509 HydrophobicContact CD-CG2 4.22Å; K492-R510 CarbonylContact C-O 3.46Å; K492-R510 WeakPolarHBondContact CA-O 3.03Å; K492-R510 WeakPolarHBondContact CB-O 3.06Å; K492-E511 WeakPolarHBondContact CE-OE1 3.42Å; K492-C512 VanDerWaalsContact C-SG 3.57Å
493	C	93.6	Very high	92.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	142.5	-178.2	-75.2	0	0	0	0	111.5	L485 V509 R510 C512	L485-C493 CarbonylContact O-C 3.48Å; L485-C493 VanDerWaalsContact O-CA 3.3Å; L485-C493 WeakPolarHBondContact O-CA 3.3Å; C493-V509 WeakPolarHBondContact O-CA 3.44Å; C493-R510 PolarHBondContact N-O 2.04Å; C493-R510 PolarHBondContact O-N 3.16Å; C493-C512 VanDerWaalsContact CA-SG 3.6Å; C493-C512 HydrophobicContact CB-CB 4.05Å; C493-C512 WeakPolarHBondContact CB-SG 3.39Å; C493-C512 PolarHBondContact N-SG 2.96Å; C493-C512 WeakPolarHBondContact SG-CB 3.3Å; C493-C512 CovalentContact SG-SG 2.05Å; C493-C512 PolarHBondContact SG-SG 2.86Å
494	L	94.6	Very high	92	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125.6	173.4	-172.4	71	0	0	0	110	L485 V507 W521 L537 M579 M591 W604	L485-L494 HydrophobicContact CB-CB 3.86Å; L485-L494 HydrophobicContact CB-CD2 4.46Å; L485-L494 HydrophobicContact CD1-CD2 3.82Å; L485-L494 PolarHBondContact O-N 2.84Å; L494-V507 HydrophobicContact CD1-CB 3.93Å; L494-V507 HydrophobicContact CD1-CG2 3.98Å; L494-V507 HydrophobicContact CG-CB 4.36Å; L494-W521 HydrophobicContact CD2-CH2 4.2Å; L494-W521 HydrophobicContact CD2-CZ2 3.64Å; L494-W521 HydrophobicContact CG-CZ2 3.86Å; L494-W521 PolarHBondContact O-NE1 3.35Å; L494-L537 HydrophobicContact CD2-CD2 4.27Å; L494-M579 HydrophobicContact CD1-SD 4.35Å; L494-M579 HydrophobicContact CD2-SD 4.29Å; L494-M591 HydrophobicContact CD1-CG 3.88Å; L494-M591 HydrophobicContact CD1-SD 4.13Å; L494-W604 HydrophobicContact CB-CZ3 3.98Å; L494-W604 HydrophobicContact CD1-CH2 4.16Å; L494-W604 HydrophobicContact CD1-CZ3 4.32Å
495	V	93.9	Very high	91.9	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.03	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	165	-176.8	-57.7	0	0	0	0	111.4	V507 V508 R510 Q519	V495-V507 CarbonylContact O-C 3.52Å; V495-V507 VanDerWaalsContact O-CA 3.27Å; V495-V507 WeakPolarHBondContact O-CA 3.48Å; V495-V507 WeakPolarHBondContact O-CB 3.31Å; V495-V508 HydrophobicContact CG2-CG2 3.89Å; V495-V508 PolarHBondContact N-O 2.86Å; V495-V508 PolarHBondContact O-N 3.39Å; V495-R510 HydrophobicContact CG2-CB 3.83Å; V495-R510 HydrophobicContact CG2-CG 3.59Å; V495-Q519 HydrophobicContact CG1-CB 3.95Å; V495-Q519 HydrophobicContact CG1-CG 3.48Å; V495-Q519 VanDerWaalsContact CG1-CG 3.48Å
496	A	93.8	Very high	91.9	Very high	5 Å²	5	47.2 Å²	47.2	4%	0.041	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	140.5	168	0	0	0	0	0	110.9	G498 P500 L531 L550	A496-G498 VanDerWaalsContact C-N 3.33Å; A496-G498 WeakPolarHBondContact CB-O 3.49Å; A496-P500 HydrophobicContact CB-CG 4.32Å; A496-L531 HydrophobicContact CB-CD2 3.8Å; A496-L550 HydrophobicContact CB-CD1 3.75Å
497	Q	91.1	Very high	92	Very high	76 Å²	76	44.8 Å²	44.8	36%	0.355	25%	0.246	S	C	.	.	S	Bend	trans	-64.9	-41.1	171.3	-172.2	-177.2	8.8	0	0	111.2	L506 V508 R510	Q497-L506 WeakPolarHBondContact CB-O 3.3Å; Q497-L506 PolarHBondContact N-O 2.8Å; Q497-V508 HydrophobicContact CB-CG1 4.08Å; Q497-V508 HydrophobicContact CB-CG2 4.2Å; Q497-V508 HydrophobicContact CG-CG1 4.2Å; Q497-R510 PolarHBondContact O-NH2 2.79Å
498	G	90.1	Very high	92	Very high	39 Å²	39	45 Å²	45	40%	0.402	25%	0.247	S	C	.	.	S	Bend	trans	-106.5	-139.7	174.5	0	0	0	0	0	111.7	A496	A496-G498 VanDerWaalsContact C-N 3.33Å; A496-G498 WeakPolarHBondContact CB-O 3.49Å
499	H	90.8	Very high	92.1	Very high	109 Å²	109	42.1 Å²	42.1	51%	0.505	23%	0.232	S	C	.	.			trans	-80.3	139.8	176.1	-165.2	-89.1	0	0	0	110.9	S501 Q502	H499-S501 PolarHBondContact CE1-OG 3.23Å; H499-S501 PolarHBondContact ND1-N 2.88Å; H499-S501 PolarHBondContact ND1-OG 2.8Å; H499-S501 PolarHBondContact O-N 2.84Å; H499-Q502 WeakPolarHBondContact O-CB 3.04Å; H499-Q502 PolarHBondContact O-N 2.62Å
500	P	90.6	Very high	92.2	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.026	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-20	-179.8	-29.8	37.9	0	0	0	115.8	A496 N518 L531 N532 L534 L535	A496-P500 HydrophobicContact CB-CG 4.32Å; P500-N518 HydrophobicContact CG-CB 3.63Å; P500-N518 WeakPolarHBondContact CG-OD1 3.35Å; P500-L531 HydrophobicContact CB-CD2 3.83Å; P500-L531 HydrophobicContact CB-CG 4.17Å; P500-L531 HydrophobicContact CG-CD2 4.12Å; P500-N532 HydrophobicContact CB-CB 4.24Å; P500-L534 HydrophobicContact CB-CD1 4.23Å; P500-L535 WeakPolarHBondContact O-CD1 2.97Å; P500-L535 WeakPolarHBondContact O-CG 3.3Å
501	S	91.8	Very high	92.3	Very high	66 Å²	66	48.3 Å²	48.3	46%	0.462	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.3	175	68.6	0	0	0	0	114.1	H499 K503	H499-S501 PolarHBondContact CE1-OG 3.23Å; H499-S501 PolarHBondContact ND1-N 2.88Å; H499-S501 PolarHBondContact ND1-OG 2.8Å; H499-S501 PolarHBondContact O-N 2.84Å; S501-K503 PolarHBondContact O-N 3.19Å
502	Q	94.1	Very high	92.4	Very high	105 Å²	105	45.4 Å²	45.4	49%	0.491	24%	0.241	S	C	.	.			trans	-76.4	105.6	-177.4	-174.7	178.5	-4.1	0	0	110.7	H499 G504 G505	H499-Q502 WeakPolarHBondContact O-CB 3.04Å; H499-Q502 PolarHBondContact O-N 2.62Å; Q502-G504 PolarHBondContact O-N 2.99Å; Q502-G505 PolarHBondContact O-N 3.34Å
503	K	93.4	Very high	92.4	Very high	135 Å²	135	47.7 Å²	47.7	59%	0.587	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	131.3	174	-173.9	-175.4	176.5	-171.3	0	110.5	S501 M551	S501-K503 PolarHBondContact O-N 3.19Å; K503-M551 VanDerWaalsContact CE-CE 3.46Å; K503-M551 HydrophobicContact CG-CE 4.4Å; K503-M551 HydrophobicContact CG-SD 3.85Å
504	G	92.6	Very high	92.2	Very high	37 Å²	37	54.2 Å²	54.2	38%	0.381	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	3.1	-175.1	0	0	0	0	0	114	Q502 L550	Q502-G504 PolarHBondContact O-N 2.99Å; G504-L550 PolarHBondContact N-O 2.77Å
505	G	92.3	Very high	92	Very high	8 Å²	8	61 Å²	61	8%	0.082	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-64.8	134.7	176.1	0	0	0	0	0	111.4	Q502 R549 L550	Q502-G505 PolarHBondContact O-N 3.34Å; G505-R549 CarbonylContact O-C 3.58Å; G505-R549 VanDerWaalsContact O-CA 3.3Å; G505-R549 WeakPolarHBondContact O-CA 3.37Å; G505-L550 PolarHBondContact O-N 3.27Å
506	L	93.4	Very high	91.8	Very high	62 Å²	62	63 Å²	63	33%	0.325	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-73.8	158.6	176.3	-58	-178.4	0	0	0	111.1	Q497 P547 R549	Q497-L506 WeakPolarHBondContact CB-O 3.3Å; Q497-L506 PolarHBondContact N-O 2.8Å; L506-P547 HydrophobicContact CD1-CG 4.35Å; L506-P547 HydrophobicContact CD2-CB 4.33Å; L506-P547 HydrophobicContact CD2-CG 3.73Å; L506-R549 HydrophobicContact CD2-CB 4.24Å
507	V	93.8	Very high	91.6	Very high	3 Å²	3	67.5 Å²	67.5	2%	0.018	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	151.1	170	-65.7	0	0	0	0	111.4	L494 V495 W521 L537 P548 L550 M591	L494-V507 HydrophobicContact CD1-CB 3.93Å; L494-V507 HydrophobicContact CD1-CG2 3.98Å; L494-V507 HydrophobicContact CG-CB 4.36Å; V495-V507 CarbonylContact O-C 3.52Å; V495-V507 VanDerWaalsContact O-CA 3.27Å; V495-V507 WeakPolarHBondContact O-CA 3.48Å; V495-V507 WeakPolarHBondContact O-CB 3.31Å; V507-W521 HydrophobicContact CG1-CH2 4.21Å; V507-W521 HydrophobicContact CG1-CZ2 4.38Å; V507-L537 HydrophobicContact CB-CD1 4.47Å; V507-L537 HydrophobicContact CG1-CD1 3.83Å; V507-L537 HydrophobicContact CG2-CD1 3.82Å; V507-P548 HydrophobicContact CG2-CB 3.82Å; V507-P548 PolarHBondContact N-O 3.13Å; V507-L550 HydrophobicContact CG1-CD2 4.2Å; V507-L550 HydrophobicContact CG1-CG 4.1Å; V507-M591 HydrophobicContact CG2-CB 4.18Å; V507-M591 HydrophobicContact CG2-CG 3.93Å; V507-M591 VanDerWaalsContact O-CG 3.3Å; V507-M591 WeakPolarHBondContact O-CG 3.48Å
508	V	93.1	Very high	91.6	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.024	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	168.9	-177.4	-68.5	0	0	0	0	109.8	V495 Q497 R510 K588 Y590	V495-V508 HydrophobicContact CG2-CG2 3.89Å; V495-V508 PolarHBondContact N-O 2.86Å; V495-V508 PolarHBondContact O-N 3.39Å; Q497-V508 HydrophobicContact CB-CG1 4.08Å; Q497-V508 HydrophobicContact CB-CG2 4.2Å; Q497-V508 HydrophobicContact CG-CG1 4.2Å; V508-R510 HydrophobicContact CG2-CG 4.36Å; V508-K588 WeakPolarHBondContact CB-O 3.29Å; V508-Y590 HydrophobicContact CG1-CD1 4.33Å
509	V	92.2	Very high	91.8	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	134.4	169.7	-66.5	0	0	0	0	111.9	H487 K492 C493 V581 G589 M591 W604	H487-V509 HydrophobicContact CB-CG1 4.45Å; K492-V509 HydrophobicContact CB-CB 3.87Å; K492-V509 HydrophobicContact CB-CG2 4.39Å; K492-V509 HydrophobicContact CD-CB 4.48Å; K492-V509 HydrophobicContact CD-CG2 4.22Å; C493-V509 WeakPolarHBondContact O-CA 3.44Å; V509-V581 HydrophobicContact CG1-CG2 4.17Å; V509-V581 HydrophobicContact CG2-CG1 4.13Å; V509-G589 PolarHBondContact N-O 3.22Å; V509-G589 VanDerWaalsContact N-O 3.08Å; V509-M591 HydrophobicContact CG1-SD 3.88Å; V509-W604 HydrophobicContact CG1-CH2 3.7Å; V509-W604 HydrophobicContact CG1-CZ3 4.13Å
510	R	90.9	Very high	92	Very high	114 Å²	114	60.4 Å²	60.4	43%	0.43	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	168.3	175.1	-67.7	-169.8	-174.3	152.9	2.9	111.2	K492 C493 V495 Q497 V508 C512	K492-R510 CarbonylContact C-O 3.46Å; K492-R510 WeakPolarHBondContact CA-O 3.03Å; K492-R510 WeakPolarHBondContact CB-O 3.06Å; C493-R510 PolarHBondContact N-O 2.04Å; C493-R510 PolarHBondContact O-N 3.16Å; V495-R510 HydrophobicContact CG2-CB 3.83Å; V495-R510 HydrophobicContact CG2-CG 3.59Å; Q497-R510 PolarHBondContact O-NH2 2.79Å; V508-R510 HydrophobicContact CG2-CG 4.36Å; R510-C512 PolarHBondContact O-N 2.94Å
511	E	91.6	Very high	92.3	Very high	130 Å²	130	60.2 Å²	60.2	61%	0.607	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.8	134.8	173.2	-61.4	-54.3	139.2	0	0	110.8	K492 D513 Q519	K492-E511 WeakPolarHBondContact CE-OE1 3.42Å; E511-D513 PolarHBondContact O-N 3.18Å; E511-Q519 PolarHBondContact O-NE2 2.88Å
512	C	91.4	Very high	92.4	Very high	29 Å²	29	57.1 Å²	57.1	20%	0.196	28%	0.283	C	S	.	.			trans	-70.5	121.9	179.8	-66.9	0	0	0	0	110.1	K492 C493 R510	K492-C512 VanDerWaalsContact C-SG 3.57Å; C493-C512 VanDerWaalsContact CA-SG 3.6Å; C493-C512 HydrophobicContact CB-CB 4.05Å; C493-C512 WeakPolarHBondContact CB-SG 3.39Å; C493-C512 PolarHBondContact N-SG 2.96Å; C493-C512 WeakPolarHBondContact SG-CB 3.3Å; C493-C512 CovalentContact SG-SG 2.05Å; C493-C512 PolarHBondContact SG-SG 2.86Å; R510-C512 PolarHBondContact O-N 2.94Å
513	D	92.2	Very high	92.4	Very high	71 Å²	71	53 Å²	53	38%	0.38	26%	0.263	S	S	.	.			trans	-115.1	116.6	173.6	-176.2	-7.7	0	0	0	109.9	R484 E511 N515 D516	R484-D513 PolarHBondContact NE-O 3.44Å; R484-D513 PolarHBondContact NH2-O 2.77Å; E511-D513 PolarHBondContact O-N 3.18Å; D513-N515 PolarHBondContact O-N 3.09Å; D513-N515 WeakPolarHBondContact OD1-CB 3.43Å; D513-N515 PolarHBondContact OD1-N 2.69Å; D513-D516 HydrophobicContact CB-CB 3.8Å; D513-D516 PolarHBondContact O-N 3.03Å
514	Y	88.1	Confident	92.4	Very high	136 Å²	136	46.7 Å²	46.7	53%	0.533	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.9	-178.8	-69.5	-83.8	0	0	0	113.4	R484 E607	R484-Y514 VanDerWaalsContact NH2-CA 3.28Å; R484-Y514 PolarHBondContact NH2-O 3.38Å; Y514-E607 PolarHBondContact OH-OE1 2.86Å
515	N	90.9	Very high	92.2	Very high	144 Å²	144	48.5 Å²	48.5	77%	0.77	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-16.7	176.3	-60.4	-52	0	0	0	112.9	D513 Q517	D513-N515 PolarHBondContact O-N 3.09Å; D513-N515 WeakPolarHBondContact OD1-CB 3.43Å; D513-N515 PolarHBondContact OD1-N 2.69Å; N515-Q517 PolarHBondContact O-N 2.73Å
516	D	90.4	Very high	92	Very high	47 Å²	47	51.4 Å²	51.4	25%	0.251	25%	0.248	S	C	.	.			trans	-83.3	109.8	-178	-174	9	0	0	0	111.8	D513 N518 Q519	D513-D516 HydrophobicContact CB-CB 3.8Å; D513-D516 PolarHBondContact O-N 3.03Å; D516-N518 PolarHBondContact O-N 2.93Å; D516-N518 WeakPolarHBondContact OD1-CB 3.43Å; D516-N518 PolarHBondContact OD1-N 2.79Å; D516-N518 PolarHBondContact OD1-ND2 3.32Å; D516-Q519 HydrophobicContact CB-CG 3.97Å; D516-Q519 PolarHBondContact O-N 3.26Å; D516-Q519 WeakPolarHBondContact OD2-CG 3.5Å
517	Q	89.5	Confident	91.9	Very high	98 Å²	98	51.6 Å²	51.6	46%	0.458	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-67.9	-19	175.5	-65.6	-63.5	-45.8	0	0	112.6	N515 Q519 V520	N515-Q517 PolarHBondContact O-N 2.73Å; Q517-Q519 PolarHBondContact O-N 3.2Å; Q517-V520 WeakPolarHBondContact O-CB 3.26Å; Q517-V520 PolarHBondContact O-N 3.35Å; Q517-V520 VanDerWaalsContact O-N 3.15Å
518	N	91.3	Very high	91.9	Very high	55 Å²	55	51.8 Å²	51.8	29%	0.294	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-75.6	-3.3	178.1	-57	-50.9	0	0	0	113.3	P500 D516 L531 N532	P500-N518 HydrophobicContact CG-CB 3.63Å; P500-N518 WeakPolarHBondContact CG-OD1 3.35Å; D516-N518 PolarHBondContact O-N 2.93Å; D516-N518 WeakPolarHBondContact OD1-CB 3.43Å; D516-N518 PolarHBondContact OD1-N 2.79Å; D516-N518 PolarHBondContact OD1-ND2 3.32Å; N518-L531 VanDerWaalsContact O-CD1 3.24Å; N518-L531 WeakPolarHBondContact O-CD1 3.46Å; N518-N532 PolarHBondContact OD1-ND2 3.46Å
519	Q	93.5	Very high	92	Very high	9 Å²	9	51.6 Å²	51.6	4%	0.042	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-101.3	-1.8	171.1	-45.8	-161.4	-7.2	0	0	112.8	R484 V495 E511 D516 Q517 W521	R484-Q519 HydrophobicContact CG-CB 4.44Å; V495-Q519 HydrophobicContact CG1-CB 3.95Å; V495-Q519 HydrophobicContact CG1-CG 3.48Å; V495-Q519 VanDerWaalsContact CG1-CG 3.48Å; E511-Q519 PolarHBondContact O-NE2 2.88Å; D516-Q519 HydrophobicContact CB-CG 3.97Å; D516-Q519 PolarHBondContact O-N 3.26Å; D516-Q519 WeakPolarHBondContact OD2-CG 3.5Å; Q517-Q519 PolarHBondContact O-N 3.2Å; Q519-W521 VanDerWaalsContact O-CD1 3.27Å
520	V	94.8	Very high	92.2	Very high	11 Å²	11	52.9 Å²	52.9	7%	0.067	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	121.1	-176.5	-179.4	0	0	0	0	109.8	R482 G483 Q517 N532	R482-V520 HydrophobicContact CG-CG1 3.87Å; G483-V520 CarbonylContact O-C 3.25Å; G483-V520 WeakPolarHBondContact O-CA 3.29Å; Q517-V520 WeakPolarHBondContact O-CB 3.26Å; Q517-V520 PolarHBondContact O-N 3.35Å; Q517-V520 VanDerWaalsContact O-N 3.15Å; V520-N532 PolarHBondContact O-N 2.98Å
521	W	96.3	Very high	92.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	148.1	173.9	-66.4	86.1	0	0	0	110.6	R482 G483 L485 L494 V507 Q519 L529 I530 L531 L537 L550 F606	R482-W521 WeakPolarHBondContact CA-O 3.45Å; G483-W521 PolarHBondContact N-O 3.49Å; G483-W521 PolarHBondContact O-N 3.32Å; L485-W521 HydrophobicContact CD1-CB 4.38Å; L485-W521 HydrophobicContact CD1-CD2 3.97Å; L485-W521 HydrophobicContact CD1-CG 3.9Å; L485-W521 HydrophobicContact CG-CG 4.24Å; L494-W521 HydrophobicContact CD2-CH2 4.2Å; L494-W521 HydrophobicContact CD2-CZ2 3.64Å; L494-W521 HydrophobicContact CG-CZ2 3.86Å; L494-W521 PolarHBondContact O-NE1 3.35Å; V507-W521 HydrophobicContact CG1-CH2 4.21Å; V507-W521 HydrophobicContact CG1-CZ2 4.38Å; Q519-W521 VanDerWaalsContact O-CD1 3.27Å; W521-L529 HydrophobicContact CE3-CB 3.9Å; W521-L529 HydrophobicContact CZ3-CB 4.08Å; W521-I530 CarbonylContact C-O 3.52Å; W521-I530 WeakPolarHBondContact CA-O 3.32Å; W521-L531 HydrophobicContact CD2-CB 4.19Å; W521-L531 HydrophobicContact CD2-CD1 3.75Å; W521-L531 HydrophobicContact CE3-CB 3.87Å; W521-L531 HydrophobicContact CE3-CD1 4.32Å; W521-L531 HydrophobicContact CG-CD1 4.14Å; W521-L531 HydrophobicContact CH2-CB 3.74Å; W521-L531 HydrophobicContact CH2-CD1 4.28Å; W521-L531 HydrophobicContact CH2-CD2 4.35Å; W521-L531 HydrophobicContact CH2-CG 4.32Å; W521-L531 HydrophobicContact CZ2-CB 4.04Å; W521-L531 HydrophobicContact CZ2-CD1 3.67Å; W521-L531 HydrophobicContact CZ2-CD2 4.14Å; W521-L531 HydrophobicContact CZ2-CG 4.14Å; W521-L531 HydrophobicContact CZ3-CB 3.63Å; W521-L537 HydrophobicContact CH2-CB 4.21Å; W521-L537 HydrophobicContact CH2-CD1 4.16Å; W521-L537 HydrophobicContact CH2-CD2 4.45Å; W521-L537 HydrophobicContact CZ3-CB 3.88Å; W521-L537 HydrophobicContact CZ3-CD2 4.5Å; W521-L550 HydrophobicContact CH2-CD2 3.89Å; W521-L550 HydrophobicContact CZ3-CD2 4.31Å; W521-F606 HydrophobicContact CB-CE2 4.11Å; W521-F606 HydrophobicContact CB-CZ 4.09Å
522	V	95.1	Very high	92.4	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.5	169.1	169.1	0	0	0	0	108	I479 R482 I530 N533	I479-V522 HydrophobicContact CB-CG1 4.33Å; I479-V522 HydrophobicContact CD1-CG1 3.86Å; I479-V522 HydrophobicContact CG1-CG1 3.71Å; I479-V522 HydrophobicContact CG2-CG1 3.83Å; R482-V522 HydrophobicContact CB-CG2 4.2Å; R482-V522 HydrophobicContact CG-CG2 3.87Å; V522-I530 HydrophobicContact CB-CB 4.26Å; V522-I530 PolarHBondContact N-O 3.49Å; V522-I530 PolarHBondContact O-N 2.98Å; V522-N533 WeakPolarHBondContact CG2-OD1 3.35Å
523	Y	94.4	Very high	92.3	Very high	17 Å²	17	46.2 Å²	46.2	7%	0.067	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.6	174.5	-176.5	-117.5	0	0	0	109.7	I480 Q481 H527 E528 L529 W562 F564	I480-Y523 HydrophobicContact CB-CD1 4.13Å; I480-Y523 HydrophobicContact CD1-CE1 4.3Å; I480-Y523 HydrophobicContact CG2-CD1 4.29Å; I480-Y523 PolarHBondContact N-O 2.86Å; Q481-Y523 PolarHBondContact N-O 3.34Å; Q481-Y523 VanDerWaalsContact N-O 3.09Å; Q481-Y523 PolarHBondContact O-N 3.02Å; Y523-H527 HydrophobicContact CE2-CB 4.13Å; Y523-H527 AromaticContact CZ-ND1 3.59Å; Y523-H527 PolarHBondContact OH-ND1 3.36Å; Y523-E528 WeakPolarHBondContact CA-O 3.34Å; Y523-E528 WeakPolarHBondContact CD2-O 3.38Å; Y523-L529 HydrophobicContact CD2-CD2 3.8Å; Y523-L529 HydrophobicContact CD2-CG 4.17Å; Y523-L529 HydrophobicContact CG-CD2 4.33Å; Y523-W562 WeakPolarHBondContact CE2-O 3.39Å; Y523-W562 PolarHBondContact OH-O 3.43Å; Y523-F564 HydrophobicContact CD1-CE2 4.4Å; Y523-F564 HydrophobicContact CD2-CE2 4.36Å; Y523-F564 HydrophobicContact CE1-CD2 4.34Å; Y523-F564 HydrophobicContact CE1-CE2 4.24Å; Y523-F564 HydrophobicContact CE2-CE2 4.19Å; Y523-F564 HydrophobicContact CG-CE2 4.44Å
524	N	92.2	Very high	92.3	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	175.5	-172.5	70.8	10.8	0	0	0	113.2	P477 K478 I480 D526 H527 E528	P477-N524 HydrophobicContact CB-CB 3.88Å; K478-N524 CarbonylContact O-C 3.57Å; K478-N524 WeakPolarHBondContact O-CA 3.45Å; I480-N524 WeakPolarHBondContact CD1-O 3.32Å; N524-D526 PolarHBondContact O-N 3.08Å; N524-D526 PolarHBondContact OD1-N 2.89Å; N524-D526 VanDerWaalsContact OD1-N 3.16Å; N524-H527 PolarHBondContact O-N 2.83Å; N524-H527 PolarHBondContact OD1-N 3.31Å; N524-H527 VanDerWaalsContact OD1-N 3.16Å; N524-E528 PolarHBondContact N-O 2.93Å; N524-E528 PolarHBondContact ND2-OE2 2.83Å; N524-E528 WeakPolarHBondContact OD1-CB 3.49Å; N524-E528 PolarHBondContact OD1-N 3.27Å
525	E	89.8	Confident	92.7	Very high	75 Å²	75	41 Å²	41	35%	0.35	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.5	179.2	70.9	-172.6	157.2	0	0	114.6	P477 K478 I480 H527	P477-E525 WeakPolarHBondContact CA-OE1 2.86Å; P477-E525 HydrophobicContact CB-CG 4.08Å; K478-E525 HydrophobicContact CB-CB 4.41Å; K478-E525 HydrophobicContact CB-CG 4.23Å; K478-E525 WeakPolarHBondContact CB-OE2 3.17Å; K478-E525 VanDerWaalsContact N-CD 3.27Å; K478-E525 PolarHBondContact N-OE1 3.24Å; K478-E525 PolarHBondContact O-N 3.29Å; I480-E525 HydrophobicContact CD1-CB 4.36Å; I480-E525 HydrophobicContact CG1-CB 4.48Å; E525-H527 PolarHBondContact O-N 3.15Å
526	D	87.1	Confident	92.9	Very high	68 Å²	68	34.1 Å²	34.1	36%	0.364	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	6.7	173.2	-62.5	-34.5	0	0	0	112.5	P477 N524 E528	P477-D526 WeakPolarHBondContact CB-OD2 3.41Å; P477-D526 WeakPolarHBondContact CG-OD2 3.46Å; N524-D526 PolarHBondContact O-N 3.08Å; N524-D526 PolarHBondContact OD1-N 2.89Å; N524-D526 VanDerWaalsContact OD1-N 3.16Å; D526-E528 VanDerWaalsContact C-N 3.3Å; D526-E528 HydrophobicContact CB-CG 4.35Å; D526-E528 PolarHBondContact O-N 3.36Å
527	H	91.4	Very high	93.2	Very high	66 Å²	66	31.9 Å²	31.9	31%	0.306	16%	0.161	S	C	.	.			trans	63.3	30	179.6	-56.1	-74.2	0	0	0	114.1	Y523 N524 E525 Q561 W562	Y523-H527 HydrophobicContact CE2-CB 4.13Å; Y523-H527 AromaticContact CZ-ND1 3.59Å; Y523-H527 PolarHBondContact OH-ND1 3.36Å; N524-H527 PolarHBondContact O-N 2.83Å; N524-H527 PolarHBondContact OD1-N 3.31Å; N524-H527 VanDerWaalsContact OD1-N 3.16Å; E525-H527 PolarHBondContact O-N 3.15Å; H527-Q561 HydrophobicContact CB-CG 3.82Å; H527-W562 WeakPolarHBondContact CB-O 3.21Å; H527-W562 PolarHBondContact O-N 3.45Å
528	E	93.6	Very high	93.4	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.033	14%	0.141	C	C	.	.			trans	-90.2	144.4	174.2	-58.4	176.8	130.6	0	0	111.3	Y523 N524 D526 I530 G555	Y523-E528 WeakPolarHBondContact CA-O 3.34Å; Y523-E528 WeakPolarHBondContact CD2-O 3.38Å; N524-E528 PolarHBondContact N-O 2.93Å; N524-E528 PolarHBondContact ND2-OE2 2.83Å; N524-E528 WeakPolarHBondContact OD1-CB 3.49Å; N524-E528 PolarHBondContact OD1-N 3.27Å; D526-E528 VanDerWaalsContact C-N 3.3Å; D526-E528 HydrophobicContact CB-CG 4.35Å; D526-E528 PolarHBondContact O-N 3.36Å; E528-I530 HydrophobicContact CB-CG1 4.47Å; E528-G555 WeakPolarHBondContact OE1-CA 3.1Å; E528-G555 PolarHBondContact OE1-N 3.42Å
529	L	95.4	Very high	93.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	110.6	172	-77.3	172.4	0	0	0	110	L485 W521 Y523 C536 L537 W562 L570 F606	L485-L529 HydrophobicContact CD1-CD1 3.83Å; L485-L529 HydrophobicContact CD1-CD2 3.93Å; L485-L529 HydrophobicContact CD1-CG 4.47Å; W521-L529 HydrophobicContact CE3-CB 3.9Å; W521-L529 HydrophobicContact CZ3-CB 4.08Å; Y523-L529 HydrophobicContact CD2-CD2 3.8Å; Y523-L529 HydrophobicContact CD2-CG 4.17Å; Y523-L529 HydrophobicContact CG-CD2 4.33Å; L529-C536 CarbonylContact O-C 3.54Å; L529-C536 WeakPolarHBondContact O-CA 3.35Å; L529-L537 HydrophobicContact CB-CB 3.99Å; L529-L537 HydrophobicContact CB-CD2 4.32Å; L529-L537 HydrophobicContact CD1-CD2 3.79Å; L529-L537 PolarHBondContact O-N 2.85Å; L529-W562 HydrophobicContact CD1-CB 3.89Å; L529-W562 HydrophobicContact CD1-CD2 4.43Å; L529-W562 HydrophobicContact CD1-CG 3.92Å; L529-W562 HydrophobicContact CG-CB 4.25Å; L529-W562 HydrophobicContact CG-CG 4.4Å; L529-L570 HydrophobicContact CD1-CD1 3.97Å; L529-L570 HydrophobicContact CD1-CD2 3.9Å; L529-L570 HydrophobicContact CD1-CG 4.48Å; L529-F606 HydrophobicContact CD2-CD2 4.48Å; L529-F606 HydrophobicContact CD2-CE2 3.89Å
530	I	95.6	Very high	93	Very high	28 Å²	28	25.1 Å²	25.1	14%	0.144	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.6	-174.1	-43.1	177.8	0	0	0	109.7	W521 V522 E528 L535	W521-I530 CarbonylContact C-O 3.52Å; W521-I530 WeakPolarHBondContact CA-O 3.32Å; V522-I530 HydrophobicContact CB-CB 4.26Å; V522-I530 PolarHBondContact N-O 3.49Å; V522-I530 PolarHBondContact O-N 2.98Å; E528-I530 HydrophobicContact CB-CG1 4.47Å; I530-L535 CarbonylContact C-O 3.57Å; I530-L535 WeakPolarHBondContact CA-O 3.48Å
531	L	95.7	Very high	91.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.9	177.3	-173.5	64.5	0	0	0	110.9	A496 P500 N518 W521 N533 L534 L535 L550	A496-L531 HydrophobicContact CB-CD2 3.8Å; P500-L531 HydrophobicContact CB-CD2 3.83Å; P500-L531 HydrophobicContact CB-CG 4.17Å; P500-L531 HydrophobicContact CG-CD2 4.12Å; N518-L531 VanDerWaalsContact O-CD1 3.24Å; N518-L531 WeakPolarHBondContact O-CD1 3.46Å; W521-L531 HydrophobicContact CD2-CB 4.19Å; W521-L531 HydrophobicContact CD2-CD1 3.75Å; W521-L531 HydrophobicContact CE3-CB 3.87Å; W521-L531 HydrophobicContact CE3-CD1 4.32Å; W521-L531 HydrophobicContact CG-CD1 4.14Å; W521-L531 HydrophobicContact CH2-CB 3.74Å; W521-L531 HydrophobicContact CH2-CD1 4.28Å; W521-L531 HydrophobicContact CH2-CD2 4.35Å; W521-L531 HydrophobicContact CH2-CG 4.32Å; W521-L531 HydrophobicContact CZ2-CB 4.04Å; W521-L531 HydrophobicContact CZ2-CD1 3.67Å; W521-L531 HydrophobicContact CZ2-CD2 4.14Å; W521-L531 HydrophobicContact CZ2-CG 4.14Å; W521-L531 HydrophobicContact CZ3-CB 3.63Å; L531-N533 PolarHBondContact O-N 2.91Å; L531-L534 PolarHBondContact O-N 3.27Å; L531-L535 PolarHBondContact N-O 2.97Å; L531-L550 HydrophobicContact CB-CD2 4.1Å; L531-L550 HydrophobicContact CD2-CD1 3.74Å; L531-L550 HydrophobicContact CD2-CD2 4.33Å
532	N	91.6	Very high	90.4	Very high	43 Å²	43	33.3 Å²	33.3	23%	0.23	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	30.5	177.7	-165	13.1	0	0	0	113.6	P500 N518 V520 L534	P500-N532 HydrophobicContact CB-CB 4.24Å; N518-N532 PolarHBondContact OD1-ND2 3.46Å; V520-N532 PolarHBondContact O-N 2.98Å; N532-L534 HydrophobicContact CB-CD1 4.33Å; N532-L534 WeakPolarHBondContact O-CG 3.36Å; N532-L534 PolarHBondContact O-N 3.45Å; N532-L534 VanDerWaalsContact O-N 3.16Å
533	N	90.1	Very high	89.3	Confident	89 Å²	89	40.9 Å²	40.9	48%	0.476	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	22.3	-173	-56.8	-48	0	0	0	115.1	V522 L531	V522-N533 WeakPolarHBondContact CG2-OD1 3.35Å; L531-N533 PolarHBondContact O-N 2.91Å
534	L	92.3	Very high	88.1	Confident	84 Å²	84	41 Å²	41	44%	0.44	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-63.5	-174.8	-69.3	171	0	0	0	112.9	P500 L531 N532	P500-L534 HydrophobicContact CB-CD1 4.23Å; L531-L534 PolarHBondContact O-N 3.27Å; N532-L534 HydrophobicContact CB-CD1 4.33Å; N532-L534 WeakPolarHBondContact O-CG 3.36Å; N532-L534 PolarHBondContact O-N 3.45Å; N532-L534 VanDerWaalsContact O-N 3.16Å
535	L	95.7	Very high	87.4	Confident	14 Å²	14	45.2 Å²	45.2	7%	0.073	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	150.3	-173	-64.3	-174.6	0	0	0	110.8	P500 I530 L531 L550 M551 K552	P500-L535 WeakPolarHBondContact O-CD1 2.97Å; P500-L535 WeakPolarHBondContact O-CG 3.3Å; I530-L535 CarbonylContact C-O 3.57Å; I530-L535 WeakPolarHBondContact CA-O 3.48Å; L531-L535 PolarHBondContact N-O 2.97Å; L535-L550 HydrophobicContact CB-CB 3.92Å; L535-L550 HydrophobicContact CB-CD2 4.4Å; L535-L550 HydrophobicContact CD1-CB 3.81Å; L535-M551 CarbonylContact C-O 3.49Å; L535-M551 WeakPolarHBondContact CA-O 3.2Å; L535-M551 WeakPolarHBondContact CB-O 3.33Å; L535-K552 HydrophobicContact CD2-CG 4.36Å
536	C	95.9	Very high	87.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	144.2	178	-78.6	0	0	0	0	111	L529 L550 M551 C553 Q560	L529-C536 CarbonylContact O-C 3.54Å; L529-C536 WeakPolarHBondContact O-CA 3.35Å; C536-L550 WeakPolarHBondContact O-CA 3.35Å; C536-M551 PolarHBondContact N-O 2.99Å; C536-M551 PolarHBondContact O-N 3.19Å; C536-C553 HydrophobicContact CB-CB 4Å; C536-C553 WeakPolarHBondContact CB-SG 3.4Å; C536-C553 PolarHBondContact N-SG 2.87Å; C536-C553 WeakPolarHBondContact SG-CA 3.27Å; C536-C553 WeakPolarHBondContact SG-CB 3.3Å; C536-C553 CovalentContact SG-SG 2.04Å; C536-C553 PolarHBondContact SG-SG 2.76Å; C536-Q560 HydrophobicContact CB-CG 4.32Å
537	L	96.1	Very high	87.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	127.9	169.5	-169.6	62	0	0	0	109.8	L494 V507 W521 L529 P548 W562 M579	L494-L537 HydrophobicContact CD2-CD2 4.27Å; V507-L537 HydrophobicContact CB-CD1 4.47Å; V507-L537 HydrophobicContact CG1-CD1 3.83Å; V507-L537 HydrophobicContact CG2-CD1 3.82Å; W521-L537 HydrophobicContact CH2-CB 4.21Å; W521-L537 HydrophobicContact CH2-CD1 4.16Å; W521-L537 HydrophobicContact CH2-CD2 4.45Å; W521-L537 HydrophobicContact CZ3-CB 3.88Å; W521-L537 HydrophobicContact CZ3-CD2 4.5Å; L529-L537 HydrophobicContact CB-CB 3.99Å; L529-L537 HydrophobicContact CB-CD2 4.32Å; L529-L537 HydrophobicContact CD1-CD2 3.79Å; L529-L537 PolarHBondContact O-N 2.85Å; L537-P548 HydrophobicContact CD1-CB 3.88Å; L537-W562 HydrophobicContact CB-CZ2 4.35Å; L537-W562 HydrophobicContact CD2-CD2 4.14Å; L537-W562 HydrophobicContact CD2-CH2 4.2Å; L537-W562 HydrophobicContact CD2-CZ2 3.79Å; L537-W562 HydrophobicContact CG-CH2 4.27Å; L537-W562 HydrophobicContact CG-CZ2 3.53Å; L537-W562 PolarHBondContact O-NE1 3.25Å; L537-M579 HydrophobicContact CD2-CE 3.65Å; L537-M579 HydrophobicContact CG-CE 4.38Å
538	D	94.1	Very high	87.4	Confident	9 Å²	9	39.2 Å²	39.2	5%	0.048	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	147.4	-169.9	-177.6	-95.8	0	0	0	110.2	R549 M551 S559 Q560	D538-R549 HydrophobicContact CB-CG 4.42Å; D538-R549 PolarHBondContact N-O 3.41Å; D538-R549 WeakPolarHBondContact O-CG 3.37Å; D538-R549 PolarHBondContact O-N 2.85Å; D538-R549 IonicContact OD1-CZ 3.17Å; D538-R549 IonicContact OD1-NE 3.8Å; D538-R549 PolarHBondContact OD1-NE 3.39Å; D538-R549 VanDerWaalsContact OD1-NE 3.16Å; D538-R549 IonicContact OD1-NH2 3.62Å; D538-R549 PolarHBondContact OD1-NH2 2.77Å; D538-M551 HydrophobicContact CB-CB 3.8Å; D538-M551 HydrophobicContact CB-CG 3.72Å; D538-S559 WeakPolarHBondContact OD2-CB 3.42Å; D538-S559 PolarHBondContact OD2-OG 3.19Å; D538-Q560 HydrophobicContact CB-CG 4.02Å; D538-Q560 VanDerWaalsContact OD2-CG 3.25Å; D538-Q560 WeakPolarHBondContact OD2-CG 3.09Å; D538-Q560 PolarHBondContact OD2-NE2 2.89Å
539	V	91.7	Very high	87.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.			trans	-122.3	145.6	170.3	176.2	0	0	0	0	110.1	E541 P548 S559 W562 Q572 V575 M593	V539-E541 PolarHBondContact O-N 2.96Å; V539-P548 HydrophobicContact CG2-CB 4.19Å; V539-P548 HydrophobicContact CG2-CG 4.22Å; V539-S559 PolarHBondContact N-O 2.59Å; V539-S559 WeakPolarHBondContact O-CB 3.46Å; V539-W562 HydrophobicContact CG2-CH2 3.46Å; V539-W562 VanDerWaalsContact CG2-CH2 3.46Å; V539-W562 HydrophobicContact CG2-CZ2 3.64Å; V539-Q572 HydrophobicContact CB-CG 4.25Å; V539-Q572 HydrophobicContact CG2-CG 3.98Å; V539-V575 HydrophobicContact CG1-CG1 3.68Å; V539-V575 HydrophobicContact CG1-CG2 4.11Å; V539-M593 HydrophobicContact CG1-CG 4.07Å; V539-M593 HydrophobicContact CG2-CG 4Å; V539-M593 HydrophobicContact CG2-SD 3.93Å
540	S	84.1	Confident	87.4	Confident	11 Å²	11	41.4 Å²	41.4	8%	0.077	22%	0.22	C	C	.	.			trans	-64.1	115.5	172.9	-140.6	0	0	0	0	111.4	T542 R543 D546 R549	S540-T542 PolarHBondContact O-N 3.08Å; S540-R543 CarbonylContact O-C 3.59Å; S540-D546 WeakPolarHBondContact CB-OD2 3.47Å; S540-D546 PolarHBondContact OG-OD2 2.9Å; S540-R549 VanDerWaalsContact CB-NH1 3.28Å; S540-R549 PolarHBondContact OG-NH1 3.48Å
541	E	70.6	Confident	87.4	Confident	56 Å²	56	42.1 Å²	42.1	26%	0.262	22%	0.223	S	C	.	.	S	Bend	trans	-72.9	-22.4	178.7	-54.6	179.1	122.8	0	0	112.6	K382 V539 S559	K382-E541 WeakPolarHBondContact CE-OE2 3.32Å; K382-E541 IonicContact NZ-OE1 2.76Å; K382-E541 PolarHBondContact NZ-OE1 3.46Å; K382-E541 IonicContact NZ-OE2 2.74Å; K382-E541 PolarHBondContact NZ-OE2 3.41Å; V539-E541 PolarHBondContact O-N 2.96Å; E541-S559 PolarHBondContact OE1-N 3.25Å
542	T	66.2	Low	87.3	Confident	127 Å²	127	49.2 Å²	49.2	78%	0.779	25%	0.254	S	S	*	.	S	Bend	trans	-84.2	-23.7	-178.7	54.5	0	0	0	0	113.1	S540	S540-T542 PolarHBondContact O-N 3.08Å
543	R	71.7	Confident	87.2	Confident	161 Å²	161	49.7 Å²	49.7	61%	0.608	26%	0.26	S	S	*	.			trans	-135	93.7	-177.2	-67.2	-178.7	-179.6	-164.5	-0.7	107.9	S540 S545 D546	S540-R543 CarbonylContact O-C 3.59Å; R543-S545 PolarHBondContact O-N 3.32Å; R543-S545 VanDerWaalsContact O-N 3.11Å; R543-D546 HydrophobicContact CB-CB 4.22Å; R543-D546 WeakPolarHBondContact CB-OD1 3.45Å; R543-D546 WeakPolarHBondContact CB-OD2 3.36Å; R543-D546 WeakPolarHBondContact CD-OD1 3.38Å; R543-D546 WeakPolarHBondContact O-CB 3.35Å; R543-D546 PolarHBondContact O-N 3Å
544	S	69.9	Low	86.9	Confident	20 Å²	20	49.2 Å²	49.2	14%	0.14	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-22.9	178.7	44.1	0	0	0	0	113	Q577	S544-Q577 PolarHBondContact O-OE1 2.9Å
545	S	76.1	Confident	86.3	Confident	91 Å²	91	47 Å²	47	64%	0.636	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-7.7	175.1	56.8	0	0	0	0	115	R543	R543-S545 PolarHBondContact O-N 3.32Å; R543-S545 VanDerWaalsContact O-N 3.11Å
546	D	84.8	Confident	85.3	Confident	36 Å²	36	50.9 Å²	50.9	19%	0.193	28%	0.281	C	S	.	.	S	Bend	trans	-68.1	137.2	178.5	-77.3	-3.6	0	0	0	109.9	S540 R543 R549	S540-D546 WeakPolarHBondContact CB-OD2 3.47Å; S540-D546 PolarHBondContact OG-OD2 2.9Å; R543-D546 HydrophobicContact CB-CB 4.22Å; R543-D546 WeakPolarHBondContact CB-OD1 3.45Å; R543-D546 WeakPolarHBondContact CB-OD2 3.36Å; R543-D546 WeakPolarHBondContact CD-OD1 3.38Å; R543-D546 WeakPolarHBondContact O-CB 3.35Å; R543-D546 PolarHBondContact O-N 3Å; D546-R549 IonicContact OD2-NH1 3.61Å
547	P	89.9	Confident	84.7	Confident	47 Å²	47	51.7 Å²	51.7	31%	0.305	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-68.1	154.1	177.5	28.6	-35.4	0	0	0	111.6	L506 M591	L506-P547 HydrophobicContact CD1-CG 4.35Å; L506-P547 HydrophobicContact CD2-CB 4.33Å; L506-P547 HydrophobicContact CD2-CG 3.73Å; P547-M591 WeakPolarHBondContact CB-O 3.24Å
548	P	93.7	Very high	84.1	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-59.3	141.8	173.8	-20.3	31.2	0	0	0	112.2	V507 L537 V539 W562 M579 M591 M593	V507-P548 HydrophobicContact CG2-CB 3.82Å; V507-P548 PolarHBondContact N-O 3.13Å; L537-P548 HydrophobicContact CD1-CB 3.88Å; V539-P548 HydrophobicContact CG2-CB 4.19Å; V539-P548 HydrophobicContact CG2-CG 4.22Å; P548-W562 HydrophobicContact CB-CH2 4.32Å; P548-W562 HydrophobicContact CG-CH2 4.35Å; P548-M579 HydrophobicContact CB-CE 3.8Å; P548-M579 HydrophobicContact CG-CE 3.56Å; P548-M579 HydrophobicContact CG-SD 4.49Å; P548-M591 HydrophobicContact CG-CB 4.38Å; P548-M593 HydrophobicContact CG-CG 4.25Å; P548-M593 HydrophobicContact CG-SD 3.64Å
549	R	94.2	Very high	83.9	Confident	54 Å²	54	52.2 Å²	52.2	20%	0.204	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	165.7	-175	62.1	177.2	-179.7	-117.3	-6.9	111.6	G505 L506 D538 S540 D546 M551	G505-R549 CarbonylContact O-C 3.58Å; G505-R549 VanDerWaalsContact O-CA 3.3Å; G505-R549 WeakPolarHBondContact O-CA 3.37Å; L506-R549 HydrophobicContact CD2-CB 4.24Å; D538-R549 HydrophobicContact CB-CG 4.42Å; D538-R549 PolarHBondContact N-O 3.41Å; D538-R549 WeakPolarHBondContact O-CG 3.37Å; D538-R549 PolarHBondContact O-N 2.85Å; D538-R549 IonicContact OD1-CZ 3.17Å; D538-R549 IonicContact OD1-NE 3.8Å; D538-R549 PolarHBondContact OD1-NE 3.39Å; D538-R549 VanDerWaalsContact OD1-NE 3.16Å; D538-R549 IonicContact OD1-NH2 3.62Å; D538-R549 PolarHBondContact OD1-NH2 2.77Å; S540-R549 VanDerWaalsContact CB-NH1 3.28Å; S540-R549 PolarHBondContact OG-NH1 3.48Å; D546-R549 IonicContact OD2-NH1 3.61Å; R549-M551 HydrophobicContact CG-CG 4.11Å
550	L	95.6	Very high	83.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.7	176.2	-66.1	174.1	0	0	0	111.2	A496 G504 G505 V507 W521 L531 L535 C536	A496-L550 HydrophobicContact CB-CD1 3.75Å; G504-L550 PolarHBondContact N-O 2.77Å; G505-L550 PolarHBondContact O-N 3.27Å; V507-L550 HydrophobicContact CG1-CD2 4.2Å; V507-L550 HydrophobicContact CG1-CG 4.1Å; W521-L550 HydrophobicContact CH2-CD2 3.89Å; W521-L550 HydrophobicContact CZ3-CD2 4.31Å; L531-L550 HydrophobicContact CB-CD2 4.1Å; L531-L550 HydrophobicContact CD2-CD1 3.74Å; L531-L550 HydrophobicContact CD2-CD2 4.33Å; L535-L550 HydrophobicContact CB-CB 3.92Å; L535-L550 HydrophobicContact CB-CD2 4.4Å; L535-L550 HydrophobicContact CD1-CB 3.81Å; C536-L550 WeakPolarHBondContact O-CA 3.35Å
551	M	95.3	Very high	84.2	Confident	43 Å²	43	54 Å²	54	21%	0.212	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	168.8	179.5	-67.1	-63.3	-77.8	0	0	111.3	K503 L535 C536 D538 R549 C553	K503-M551 VanDerWaalsContact CE-CE 3.46Å; K503-M551 HydrophobicContact CG-CE 4.4Å; K503-M551 HydrophobicContact CG-SD 3.85Å; L535-M551 CarbonylContact C-O 3.49Å; L535-M551 WeakPolarHBondContact CA-O 3.2Å; L535-M551 WeakPolarHBondContact CB-O 3.33Å; C536-M551 PolarHBondContact N-O 2.99Å; C536-M551 PolarHBondContact O-N 3.19Å; D538-M551 HydrophobicContact CB-CB 3.8Å; D538-M551 HydrophobicContact CB-CG 3.72Å; R549-M551 HydrophobicContact CG-CG 4.11Å; M551-C553 PolarHBondContact O-N 3.46Å
552	K	93.5	Very high	85.3	Confident	148 Å²	148	51.3 Å²	51.3	64%	0.643	29%	0.289	S	S	*	.			trans	-63.8	131.2	173.4	-71.8	-170.3	175.6	-172.8	0	108.9	L535 H554 Q560	L535-K552 HydrophobicContact CD2-CG 4.36Å; K552-H554 PolarHBondContact O-N 2.94Å; K552-Q560 PolarHBondContact O-NE2 2.92Å
553	C	89.8	Confident	86.5	Confident	53 Å²	53	46 Å²	46	36%	0.358	26%	0.256	S	S	.	.			trans	-60.8	129.9	173.4	-59.3	0	0	0	0	110.1	C536 M551	C536-C553 HydrophobicContact CB-CB 4Å; C536-C553 WeakPolarHBondContact CB-SG 3.4Å; C536-C553 PolarHBondContact N-SG 2.87Å; C536-C553 WeakPolarHBondContact SG-CA 3.27Å; C536-C553 WeakPolarHBondContact SG-CB 3.3Å; C536-C553 CovalentContact SG-SG 2.04Å; C536-C553 PolarHBondContact SG-SG 2.76Å; M551-C553 PolarHBondContact O-N 3.46Å
554	H	84.6	Confident	87.2	Confident	80 Å²	80	41.4 Å²	41.4	37%	0.37	24%	0.241	S	C	.	.			trans	-123.4	-6.6	-179.8	61	72.7	0	0	0	114.2	K552 S556 S559 Q560	K552-H554 PolarHBondContact O-N 2.94Å; H554-S556 WeakPolarHBondContact ND1-CB 3.35Å; H554-S556 PolarHBondContact ND1-N 2.78Å; H554-S556 PolarHBondContact ND1-OG 3.4Å; H554-S556 PolarHBondContact O-N 3.11Å; H554-S556 VanDerWaalsContact O-N 3.13Å; H554-S556 PolarHBondContact O-OG 3.09Å; H554-S556 VanDerWaalsContact O-OG 3.1Å; H554-S559 PolarHBondContact NE2-OG 2.89Å; H554-Q560 PolarHBondContact CD2-NE2 2.89Å; H554-Q560 PolarHBondContact CD2-OE1 3.01Å; H554-Q560 VanDerWaalsContact CD2-OE1 3.22Å; H554-Q560 WeakPolarHBondContact NE2-CG 3.45Å; H554-Q560 PolarHBondContact NE2-NE2 3.43Å; H554-Q560 PolarHBondContact NE2-OE1 3.49Å
555	G	79	Confident	87.4	Confident	38 Å²	38	41.1 Å²	41.1	39%	0.392	24%	0.241	S	C	.	.	S	Bend	trans	62.2	23.7	171.8	0	0	0	0	0	114.1	E528	E528-G555 WeakPolarHBondContact OE1-CA 3.1Å; E528-G555 PolarHBondContact OE1-N 3.42Å
556	S	74.4	Confident	87.5	Confident	95 Å²	95	43.6 Å²	43.6	66%	0.664	24%	0.241	S	C	*	.			trans	-104.7	5.2	-176.4	-38.3	0	0	0	0	113.1	H554	H554-S556 WeakPolarHBondContact ND1-CB 3.35Å; H554-S556 PolarHBondContact ND1-N 2.78Å; H554-S556 PolarHBondContact ND1-OG 3.4Å; H554-S556 PolarHBondContact O-N 3.11Å; H554-S556 VanDerWaalsContact O-N 3.13Å; H554-S556 PolarHBondContact O-OG 3.09Å; H554-S556 VanDerWaalsContact O-OG 3.1Å
557	G	82.6	Confident	87.3	Confident	17 Å²	17	47.2 Å²	47.2	18%	0.175	26%	0.26	C	S	.	.			trans	63.4	-156.9	-171.6	0	0	0	0	0	112.6	S559	G557-S559 PolarHBondContact O-N 3.03Å
558	G	84.8	Confident	87.2	Confident	8 Å²	8	48.7 Å²	48.7	8%	0.082	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	69.6	-110	177.1	0	0	0	0	0	112.8	Q560 Q561 Q572 S574	G558-Q560 PolarHBondContact O-N 3.49Å; G558-Q561 PolarHBondContact O-N 3.14Å; G558-Q561 VanDerWaalsContact O-N 3.13Å; G558-Q572 PolarHBondContact O-NE2 2.86Å; G558-S574 PolarHBondContact O-OG 3.3Å
559	S	88.4	Confident	87	Confident	12 Å²	12	49.4 Å²	49.4	8%	0.084	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-58.9	-27.3	-176.9	69	0	0	0	0	114.8	D538 V539 E541 H554 G557 Q572 S574	D538-S559 WeakPolarHBondContact OD2-CB 3.42Å; D538-S559 PolarHBondContact OD2-OG 3.19Å; V539-S559 PolarHBondContact N-O 2.59Å; V539-S559 WeakPolarHBondContact O-CB 3.46Å; E541-S559 PolarHBondContact OE1-N 3.25Å; H554-S559 PolarHBondContact NE2-OG 2.89Å; G557-S559 PolarHBondContact O-N 3.03Å; S559-Q572 VanDerWaalsContact C-NE2 3.3Å; S559-Q572 VanDerWaalsContact CA-NE2 3.3Å; S559-Q572 PolarHBondContact O-NE2 2.99Å; S559-S574 WeakPolarHBondContact CA-OG 3.4Å; S559-S574 PolarHBondContact N-OG 3.44Å
560	Q	92.4	Very high	87	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-104.9	6.9	-179.4	-64.4	-174.9	-8.9	0	0	113.5	C536 D538 K552 H554 G558	C536-Q560 HydrophobicContact CB-CG 4.32Å; D538-Q560 HydrophobicContact CB-CG 4.02Å; D538-Q560 VanDerWaalsContact OD2-CG 3.25Å; D538-Q560 WeakPolarHBondContact OD2-CG 3.09Å; D538-Q560 PolarHBondContact OD2-NE2 2.89Å; K552-Q560 PolarHBondContact O-NE2 2.92Å; H554-Q560 PolarHBondContact CD2-NE2 2.89Å; H554-Q560 PolarHBondContact CD2-OE1 3.01Å; H554-Q560 VanDerWaalsContact CD2-OE1 3.22Å; H554-Q560 WeakPolarHBondContact NE2-CG 3.45Å; H554-Q560 PolarHBondContact NE2-NE2 3.43Å; H554-Q560 PolarHBondContact NE2-OE1 3.49Å; G558-Q560 PolarHBondContact O-N 3.49Å
561	Q	91.5	Very high	86.8	Confident	46 Å²	46	46.9 Å²	46.9	22%	0.215	26%	0.258	C	S	.	.			trans	-95.1	120.8	-178.6	-162	179.4	-7.7	0	0	111.1	H527 G558 V573	H527-Q561 HydrophobicContact CB-CG 3.82Å; G558-Q561 PolarHBondContact O-N 3.14Å; G558-Q561 VanDerWaalsContact O-N 3.13Å; Q561-V573 HydrophobicContact CB-CB 4.36Å; Q561-V573 HydrophobicContact CB-CG2 4.15Å; Q561-V573 HydrophobicContact CG-CG2 3.93Å; Q561-V573 PolarHBondContact O-N 3.04Å
562	W	92.6	Very high	86.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.5	-175.9	-61.3	89.2	0	0	0	110.6	Y523 H527 L529 L537 V539 P548 L570 Y571 Q572 M579 M593	Y523-W562 WeakPolarHBondContact CE2-O 3.39Å; Y523-W562 PolarHBondContact OH-O 3.43Å; H527-W562 WeakPolarHBondContact CB-O 3.21Å; H527-W562 PolarHBondContact O-N 3.45Å; L529-W562 HydrophobicContact CD1-CB 3.89Å; L529-W562 HydrophobicContact CD1-CD2 4.43Å; L529-W562 HydrophobicContact CD1-CG 3.92Å; L529-W562 HydrophobicContact CG-CB 4.25Å; L529-W562 HydrophobicContact CG-CG 4.4Å; L537-W562 HydrophobicContact CB-CZ2 4.35Å; L537-W562 HydrophobicContact CD2-CD2 4.14Å; L537-W562 HydrophobicContact CD2-CH2 4.2Å; L537-W562 HydrophobicContact CD2-CZ2 3.79Å; L537-W562 HydrophobicContact CG-CH2 4.27Å; L537-W562 HydrophobicContact CG-CZ2 3.53Å; L537-W562 PolarHBondContact O-NE1 3.25Å; V539-W562 HydrophobicContact CG2-CH2 3.46Å; V539-W562 VanDerWaalsContact CG2-CH2 3.46Å; V539-W562 HydrophobicContact CG2-CZ2 3.64Å; P548-W562 HydrophobicContact CB-CH2 4.32Å; P548-W562 HydrophobicContact CG-CH2 4.35Å; W562-L570 HydrophobicContact CB-CD1 4.15Å; W562-L570 HydrophobicContact CE3-CD1 4.47Å; W562-L570 HydrophobicContact CE3-CD2 4.28Å; W562-L570 HydrophobicContact CE3-CG 3.91Å; W562-L570 HydrophobicContact CZ3-CG 4.49Å; W562-Y571 CarbonylContact C-O 3.51Å; W562-Y571 WeakPolarHBondContact CA-O 3.36Å; W562-Q572 HydrophobicContact CD2-CB 4.41Å; W562-Q572 HydrophobicContact CD2-CG 4.02Å; W562-Q572 HydrophobicContact CE3-CB 3.76Å; W562-Q572 HydrophobicContact CE3-CG 3.83Å; W562-Q572 HydrophobicContact CH2-CB 3.91Å; W562-Q572 HydrophobicContact CH2-CG 3.53Å; W562-Q572 HydrophobicContact CZ2-CB 4.5Å; W562-Q572 HydrophobicContact CZ2-CG 3.68Å; W562-Q572 HydrophobicContact CZ3-CB 3.5Å; W562-Q572 VanDerWaalsContact CZ3-CB 3.5Å; W562-Q572 HydrophobicContact CZ3-CG 3.6Å; W562-M579 HydrophobicContact CE3-CE 4.2Å; W562-M579 HydrophobicContact CH2-CE 3.3Å; W562-M579 HydrophobicContact CZ2-CE 4.16Å; W562-M579 HydrophobicContact CZ3-CB 4.44Å; W562-M579 HydrophobicContact CZ3-CE 3.32Å; W562-M593 HydrophobicContact CH2-CE 4.37Å; W562-M593 HydrophobicContact CH2-SD 4.01Å; W562-M593 HydrophobicContact CZ3-CE 4.13Å; W562-M593 HydrophobicContact CZ3-SD 4.21Å
563	T	90.6	Very high	86.4	Confident	16 Å²	16	38.4 Å²	38.4	10%	0.098	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144	179.2	60.6	0	0	0	0	110.8	G565 Y571 V573	T563-G565 PolarHBondContact O-N 3.14Å; T563-Y571 PolarHBondContact N-O 3.26Å; T563-Y571 PolarHBondContact O-N 3.28Å; T563-Y571 WeakPolarHBondContact OG1-CD1 3.32Å; T563-V573 HydrophobicContact CG2-CG2 4.08Å
564	F	86.4	Confident	86	Confident	65 Å²	65	35.9 Å²	35.9	29%	0.285	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	101.8	171	-65.7	-86.5	0	0	0	108	L485 Y523 R569 L570 F606	L485-F564 HydrophobicContact CD2-CE1 3.99Å; L485-F564 HydrophobicContact CD2-CZ 3.87Å; Y523-F564 HydrophobicContact CD1-CE2 4.4Å; Y523-F564 HydrophobicContact CD2-CE2 4.36Å; Y523-F564 HydrophobicContact CE1-CD2 4.34Å; Y523-F564 HydrophobicContact CE1-CE2 4.24Å; Y523-F564 HydrophobicContact CE2-CE2 4.19Å; Y523-F564 HydrophobicContact CG-CE2 4.44Å; F564-R569 WeakPolarHBondContact CA-O 3.42Å; F564-L570 HydrophobicContact CD1-CD1 4.21Å; F564-L570 HydrophobicContact CE1-CD1 3.79Å; F564-L570 HydrophobicContact CE2-CD1 4.29Å; F564-L570 HydrophobicContact CZ-CD1 3.8Å; F564-F606 HydrophobicContact CE1-CB 4.37Å; F564-F606 HydrophobicContact CE2-CD2 4.33Å; F564-F606 HydrophobicContact CZ-CB 4.21Å; F564-F606 AromaticContact CZ-CD2 3.75Å; F564-F606 HydrophobicContact CZ-CD2 3.75Å; F564-F606 HydrophobicContact CZ-CG 4.45Å
565	G	75.4	Confident	86.1	Confident	14 Å²	14	32 Å²	32	14%	0.144	19%	0.187	C	C	.	.			trans	-78.8	-179.4	177.6	0	0	0	0	0	112.3	T563 N568 R569	T563-G565 PolarHBondContact O-N 3.14Å; G565-N568 PolarHBondContact O-N 3.45Å; G565-R569 PolarHBondContact N-O 3.47Å
566	K	77.7	Confident	86.6	Confident	143 Å²	143	30.2 Å²	30.2	62%	0.622	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-55	147.2	172.4	-66	174.4	-177.4	168.7	0	111.3	E97 N568 R569	E97-K566 PolarHBondContact OE1-N 3.44Å; E97-K566 VanDerWaalsContact OE1-N 3.11Å; K566-N568 VanDerWaalsContact C-N 3.34Å; K566-N568 PolarHBondContact O-N 3.32Å; K566-R569 WeakPolarHBondContact O-CD 3.47Å; K566-R569 WeakPolarHBondContact O-CG 3.32Å; K566-R569 PolarHBondContact O-NE 2.95Å; K566-R569 VanDerWaalsContact O-NE 3.07Å
567	N	80.8	Confident	87.5	Confident	111 Å²	111	26.1 Å²	26.1	59%	0.594	14%	0.138	S	C	*	.	G	3₁₀ helix	trans	62.7	33.3	-177.5	-51.6	-25.7	0	0	0	114.3	R569	N567-R569 PolarHBondContact O-N 2.93Å; N567-R569 VanDerWaalsContact O-N 3.15Å
568	N	87.3	Confident	88	Confident	78 Å²	78	25.3 Å²	25.3	42%	0.417	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	61.2	24.7	174	-63.3	-28.9	0	0	0	113.8	L488 G565 K566 W604	L488-N568 HydrophobicContact CD1-CB 4.41Å; G565-N568 PolarHBondContact O-N 3.45Å; K566-N568 VanDerWaalsContact C-N 3.34Å; K566-N568 PolarHBondContact O-N 3.32Å; N568-W604 WeakPolarHBondContact CB-O 3.19Å; N568-W604 PolarHBondContact O-N 3.48Å
569	R	90.6	Very high	88.4	Confident	16 Å²	16	24.9 Å²	24.9	6%	0.06	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-79.4	136.3	178.1	63.4	-163	166.7	178.9	-2.5	111	E97 M100 F564 G565 K566 N567 Y571 Q602	E97-R569 IonicContact OE1-CZ 3.35Å; E97-R569 IonicContact OE1-NE 3.18Å; E97-R569 IonicContact OE1-NH2 2.76Å; E97-R569 PolarHBondContact OE1-NH2 3.17Å; E97-R569 IonicContact OE2-NH2 3.14Å; E97-R569 PolarHBondContact OE2-NH2 2.93Å; M100-R569 PolarHBondContact SD-NH1 3.43Å; M100-R569 PolarHBondContact SD-NH2 3.49Å; M100-R569 VanDerWaalsContact SD-NH2 3.42Å; F564-R569 WeakPolarHBondContact CA-O 3.42Å; G565-R569 PolarHBondContact N-O 3.47Å; K566-R569 WeakPolarHBondContact O-CD 3.47Å; K566-R569 WeakPolarHBondContact O-CG 3.32Å; K566-R569 PolarHBondContact O-NE 2.95Å; K566-R569 VanDerWaalsContact O-NE 3.07Å; N567-R569 PolarHBondContact O-N 2.93Å; N567-R569 VanDerWaalsContact O-N 3.15Å; R569-Y571 PolarHBondContact O-N 2.84Å; R569-Q602 WeakPolarHBondContact CA-O 3.48Å
570	L	92.8	Very high	88.6	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	99.5	173	-171.4	62	0	0	0	109	L529 W562 F564 C578 M579 W604	L529-L570 HydrophobicContact CD1-CD1 3.97Å; L529-L570 HydrophobicContact CD1-CD2 3.9Å; L529-L570 HydrophobicContact CD1-CG 4.48Å; W562-L570 HydrophobicContact CB-CD1 4.15Å; W562-L570 HydrophobicContact CE3-CD1 4.47Å; W562-L570 HydrophobicContact CE3-CD2 4.28Å; W562-L570 HydrophobicContact CE3-CG 3.91Å; W562-L570 HydrophobicContact CZ3-CG 4.49Å; F564-L570 HydrophobicContact CD1-CD1 4.21Å; F564-L570 HydrophobicContact CE1-CD1 3.79Å; F564-L570 HydrophobicContact CE2-CD1 4.29Å; F564-L570 HydrophobicContact CZ-CD1 3.8Å; L570-C578 WeakPolarHBondContact O-CA 3.27Å; L570-M579 HydrophobicContact CB-CB 4.25Å; L570-M579 HydrophobicContact CD2-CB 4.44Å; L570-M579 HydrophobicContact CD2-CE 4.1Å; L570-M579 HydrophobicContact CD2-SD 3.99Å; L570-M579 PolarHBondContact O-N 3.4Å; L570-W604 HydrophobicContact CB-CB 4.34Å; L570-W604 HydrophobicContact CB-CG 3.98Å
571	Y	92.3	Very high	88.6	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.2	-174	170.9	-123.9	0	0	0	111.3	P96 G99 M100 W562 T563 R569 V573 G576 Q577	P96-Y571 WeakPolarHBondContact O-CE1 3.4Å; G99-Y571 VanDerWaalsContact CA-OH 3.28Å; G99-Y571 WeakPolarHBondContact CA-OH 3.43Å; G99-Y571 PolarHBondContact O-OH 3.17Å; M100-Y571 HydrophobicContact CB-CD2 4.41Å; M100-Y571 HydrophobicContact CB-CE2 3.89Å; M100-Y571 HydrophobicContact CE-CD1 3.88Å; M100-Y571 HydrophobicContact CE-CD2 3.73Å; M100-Y571 HydrophobicContact CE-CE1 4.48Å; M100-Y571 HydrophobicContact CE-CE2 4.27Å; M100-Y571 HydrophobicContact CE-CG 3.53Å; M100-Y571 HydrophobicContact CG-CD2 4.05Å; M100-Y571 HydrophobicContact CG-CE2 3.95Å; M100-Y571 PolarHBondContact N-OH 3.41Å; W562-Y571 CarbonylContact C-O 3.51Å; W562-Y571 WeakPolarHBondContact CA-O 3.36Å; T563-Y571 PolarHBondContact N-O 3.26Å; T563-Y571 PolarHBondContact O-N 3.28Å; T563-Y571 WeakPolarHBondContact OG1-CD1 3.32Å; R569-Y571 PolarHBondContact O-N 2.84Å; Y571-V573 HydrophobicContact CD1-CG2 4.37Å; Y571-V573 HydrophobicContact CE1-CB 4.35Å; Y571-V573 HydrophobicContact CE1-CG1 4.46Å; Y571-V573 HydrophobicContact CE1-CG2 4.04Å; Y571-G576 VanDerWaalsContact CE2-C 3.44Å; Y571-Q577 WeakPolarHBondContact CD2-O 3.44Å
572	Q	92.2	Very high	88.3	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.6	175.3	-155.6	-73.4	-6.2	0	0	109.7	V539 G558 S559 W562 S574 V575 G576 Q577 M593	V539-Q572 HydrophobicContact CB-CG 4.25Å; V539-Q572 HydrophobicContact CG2-CG 3.98Å; G558-Q572 PolarHBondContact O-NE2 2.86Å; S559-Q572 VanDerWaalsContact C-NE2 3.3Å; S559-Q572 VanDerWaalsContact CA-NE2 3.3Å; S559-Q572 PolarHBondContact O-NE2 2.99Å; W562-Q572 HydrophobicContact CD2-CB 4.41Å; W562-Q572 HydrophobicContact CD2-CG 4.02Å; W562-Q572 HydrophobicContact CE3-CB 3.76Å; W562-Q572 HydrophobicContact CE3-CG 3.83Å; W562-Q572 HydrophobicContact CH2-CB 3.91Å; W562-Q572 HydrophobicContact CH2-CG 3.53Å; W562-Q572 HydrophobicContact CZ2-CB 4.5Å; W562-Q572 HydrophobicContact CZ2-CG 3.68Å; W562-Q572 HydrophobicContact CZ3-CB 3.5Å; W562-Q572 VanDerWaalsContact CZ3-CB 3.5Å; W562-Q572 HydrophobicContact CZ3-CG 3.6Å; Q572-S574 PolarHBondContact NE2-OG 3.38Å; Q572-S574 PolarHBondContact OE1-OG 2.89Å; Q572-V575 HydrophobicContact CB-CG2 3.85Å; Q572-V575 HydrophobicContact CG-CG2 4.11Å; Q572-V575 VanDerWaalsContact OE1-CG2 3.25Å; Q572-G576 PolarHBondContact O-N 2.79Å; Q572-Q577 PolarHBondContact N-O 2.92Å; Q572-M593 HydrophobicContact CB-CE 3.52Å; Q572-M593 HydrophobicContact CG-CE 4.38Å
573	V	87.9	Confident	87.4	Confident	13 Å²	13	32.5 Å²	32.5	8%	0.079	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-38.4	-166	-169.3	0	0	0	0	113.7	T281 Q561 T563 Y571	T281-V573 HydrophobicContact CG2-CG1 3.55Å; Q561-V573 HydrophobicContact CB-CB 4.36Å; Q561-V573 HydrophobicContact CB-CG2 4.15Å; Q561-V573 HydrophobicContact CG-CG2 3.93Å; Q561-V573 PolarHBondContact O-N 3.04Å; T563-V573 HydrophobicContact CG2-CG2 4.08Å; Y571-V573 HydrophobicContact CD1-CG2 4.37Å; Y571-V573 HydrophobicContact CE1-CB 4.35Å; Y571-V573 HydrophobicContact CE1-CG1 4.46Å; Y571-V573 HydrophobicContact CE1-CG2 4.04Å
574	S	82.3	Confident	86	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-30.4	-177.6	69	0	0	0	0	114.8	R110 G558 S559 Q572	R110-S574 PolarHBondContact NH2-O 3.31Å; G558-S574 PolarHBondContact O-OG 3.3Å; S559-S574 WeakPolarHBondContact CA-OG 3.4Å; S559-S574 PolarHBondContact N-OG 3.44Å; Q572-S574 PolarHBondContact NE2-OG 3.38Å; Q572-S574 PolarHBondContact OE1-OG 2.89Å
575	V	87.1	Confident	84.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-16.7	175.4	-61.6	0	0	0	0	113.6	I101 R110 V539 Q572 Q577 M593	I101-V575 WeakPolarHBondContact CD1-O 3.13Å; R110-V575 WeakPolarHBondContact CD-O 3.35Å; R110-V575 PolarHBondContact NE-O 2.92Å; R110-V575 VanDerWaalsContact NE-O 3.09Å; V539-V575 HydrophobicContact CG1-CG1 3.68Å; V539-V575 HydrophobicContact CG1-CG2 4.11Å; Q572-V575 HydrophobicContact CB-CG2 3.85Å; Q572-V575 HydrophobicContact CG-CG2 4.11Å; Q572-V575 VanDerWaalsContact OE1-CG2 3.25Å; V575-Q577 HydrophobicContact CG2-CB 3.95Å; V575-Q577 PolarHBondContact O-N 3.42Å; V575-M593 HydrophobicContact CG2-CE 3.95Å
576	G	89.2	Confident	84.1	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.			trans	75.1	11.3	179.1	0	0	0	0	0	113.8	G99 I101 Y571 Q572	G99-G576 WeakPolarHBondContact O-CA 3.02Å; I101-G576 VanDerWaalsContact CB-O 3.29Å; I101-G576 WeakPolarHBondContact CB-O 3.3Å; I101-G576 WeakPolarHBondContact CG1-O 3.43Å; I101-G576 PolarHBondContact N-O 2.78Å; Y571-G576 VanDerWaalsContact CE2-C 3.44Å; Q572-G576 PolarHBondContact O-N 2.79Å
577	Q	92.1	Very high	83.3	Confident	8 Å²	8	40.9 Å²	40.9	4%	0.037	21%	0.214	C	C	.	.			trans	-115.7	164.6	-172.8	-70.4	-177.6	-31.6	0	0	112	I101 S544 Y571 Q572 V575 M593 A594 C596	I101-Q577 HydrophobicContact CD1-CG 3.91Å; S544-Q577 PolarHBondContact O-OE1 2.9Å; Y571-Q577 WeakPolarHBondContact CD2-O 3.44Å; Q572-Q577 PolarHBondContact N-O 2.92Å; V575-Q577 HydrophobicContact CG2-CB 3.95Å; V575-Q577 PolarHBondContact O-N 3.42Å; Q577-M593 HydrophobicContact CB-CB 4.04Å; Q577-M593 HydrophobicContact CB-CE 3.87Å; Q577-M593 VanDerWaalsContact O-CE 3.29Å; Q577-M593 WeakPolarHBondContact O-CE 3.26Å; Q577-A594 VanDerWaalsContact CB-O 3.3Å; Q577-A594 WeakPolarHBondContact CB-O 3.41Å; Q577-C596 VanDerWaalsContact C-SG 3.5Å
578	C	93.4	Very high	82.4	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	146.8	178.7	-70.3	0	0	0	0	110.6	L570 K580 A594 C596	L570-C578 WeakPolarHBondContact O-CA 3.27Å; C578-K580 PolarHBondContact O-N 3.45Å; C578-A594 PolarHBondContact N-O 3.18Å; C578-A594 PolarHBondContact O-N 3.27Å; C578-C596 HydrophobicContact CB-CB 3.97Å; C578-C596 WeakPolarHBondContact CB-SG 3.41Å; C578-C596 WeakPolarHBondContact SG-CB 3.43Å; C578-C596 PolarHBondContact N-SG 3.13Å; C578-C596 PolarHBondContact SG-SG 2.89Å; C578-C596 CovalentContact SG-SG 2.04Å
579	M	93.8	Very high	81.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	125.4	178	-172.7	169.9	-62.3	0	0	110.8	L494 L537 P548 W562 L570 M591 M593 Q602 W604	L494-M579 HydrophobicContact CD1-SD 4.35Å; L494-M579 HydrophobicContact CD2-SD 4.29Å; L537-M579 HydrophobicContact CD2-CE 3.65Å; L537-M579 HydrophobicContact CG-CE 4.38Å; P548-M579 HydrophobicContact CB-CE 3.8Å; P548-M579 HydrophobicContact CG-CE 3.56Å; P548-M579 HydrophobicContact CG-SD 4.49Å; W562-M579 HydrophobicContact CE3-CE 4.2Å; W562-M579 HydrophobicContact CH2-CE 3.3Å; W562-M579 HydrophobicContact CZ2-CE 4.16Å; W562-M579 HydrophobicContact CZ3-CB 4.44Å; W562-M579 HydrophobicContact CZ3-CE 3.32Å; L570-M579 HydrophobicContact CB-CB 4.25Å; L570-M579 HydrophobicContact CD2-CB 4.44Å; L570-M579 HydrophobicContact CD2-CE 4.1Å; L570-M579 HydrophobicContact CD2-SD 3.99Å; L570-M579 PolarHBondContact O-N 3.4Å; M579-M591 HydrophobicContact CG-CE 3.34Å; M579-M591 HydrophobicContact SD-CE 3.7Å; M579-M593 HydrophobicContact CB-SD 4.43Å; M579-Q602 WeakPolarHBondContact O-CA 3.45Å; M579-W604 HydrophobicContact CG-CZ2 4.08Å; M579-W604 PolarHBondContact O-NE1 3.41Å; M579-W604 VanDerWaalsContact O-NE1 3.13Å; M579-W604 HydrophobicContact SD-CZ2 4.22Å
580	K	92.9	Very high	81.5	Confident	60 Å²	60	42 Å²	42	26%	0.261	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.4	-177	-174.7	175.3	-179	166.6	0	111.8	C578 M591 T592 A594 P601 Q602	C578-K580 PolarHBondContact O-N 3.45Å; K580-M591 WeakPolarHBondContact O-CE 3.29Å; K580-T592 HydrophobicContact CB-CG2 3.99Å; K580-T592 PolarHBondContact N-O 2.89Å; K580-T592 PolarHBondContact O-N 2.88Å; K580-A594 HydrophobicContact CB-CB 3.97Å; K580-A594 HydrophobicContact CD-CB 3.83Å; K580-P601 WeakPolarHBondContact CA-O 2.95Å; K580-P601 HydrophobicContact CG-CB 3.95Å; K580-Q602 HydrophobicContact CB-CG 3.9Å; K580-Q602 HydrophobicContact CD-CG 4.39Å; K580-Q602 HydrophobicContact CG-CG 4.02Å
581	V	92.4	Very high	81.4	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	121.6	169	-176.6	0	0	0	0	109.7	V509 P584 M591 P601 W604	V509-V581 HydrophobicContact CG1-CG2 4.17Å; V509-V581 HydrophobicContact CG2-CG1 4.13Å; V581-P584 HydrophobicContact CG1-CB 4.44Å; V581-M591 HydrophobicContact CG2-CE 3.83Å; V581-M591 HydrophobicContact CG2-SD 3.89Å; V581-P601 PolarHBondContact N-O 2.86Å; V581-W604 HydrophobicContact CG2-CH2 3.96Å; V581-W604 HydrophobicContact CG2-CZ2 3.8Å
582	V	84	Confident	81.3	Confident	74 Å²	74	44.2 Å²	44.2	45%	0.448	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	113.1	174.2	-171.4	0	0	0	0	107.1	Y590 T592	V582-Y590 PolarHBondContact N-O 3.39Å; V582-Y590 PolarHBondContact O-N 2.94Å; V582-T592 HydrophobicContact CG2-CG2 3.17Å
583	D	74.8	Confident	81.4	Confident	81 Å²	81	44.7 Å²	44.7	43%	0.433	22%	0.224	S	C	.	.			trans	75	73	-173.6	-164	-2.9	0	0	0	115.4	L585 S586	D583-L585 PolarHBondContact OD1-N 3.5Å; D583-L585 PolarHBondContact O-N 2.94Å; D583-S586 PolarHBondContact O-N 3.36Å; D583-S586 WeakPolarHBondContact OD2-CB 3.31Å; D583-S586 PolarHBondContact OD1-N 3.06Å; D583-S586 PolarHBondContact O-OG 3.45Å
584	P	61.3	Low	81.6	Confident	42 Å²	42	45 Å²	45	27%	0.273	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.6	175.8	25.7	-32.7	0	0	0	114	T490 V581	T490-P584 HydrophobicContact CG2-CB 3.28Å; V581-P584 HydrophobicContact CG1-CB 4.44Å
585	L	60.3	Low	82	Confident	165 Å²	165	47 Å²	47	86%	0.864	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-22.2	-176.3	-66	171.7	0	0	0	112.4	D583	D583-L585 PolarHBondContact OD1-N 3.5Å; D583-L585 PolarHBondContact O-N 2.94Å
586	S	61.8	Low	82.2	Confident	26 Å²	26	47.1 Å²	47.1	18%	0.182	24%	0.239	C	C	.	.	S	Bend	trans	-69.5	149.2	172	75.8	0	0	0	0	112.6	D583 K588 G589	D583-S586 PolarHBondContact O-N 3.36Å; D583-S586 WeakPolarHBondContact OD2-CB 3.31Å; D583-S586 PolarHBondContact OD1-N 3.06Å; D583-S586 PolarHBondContact O-OG 3.45Å; S586-K588 PolarHBondContact O-N 3.46Å; S586-K588 VanDerWaalsContact O-N 3.14Å; S586-K588 PolarHBondContact OG-N 2.92Å; S586-G589 PolarHBondContact OG-N 2.89Å
587	H	59.3	Low	82.3	Confident	181 Å²	181	51.6 Å²	51.6	84%	0.838	26%	0.263	S	S	*	.	S	Bend	trans	-62.6	-15.6	171.7	-72.2	-68.2	0	0	0	113.7
588	K	62.4	Low	82	Confident	126 Å²	126	51.8 Å²	51.8	55%	0.548	27%	0.267	S	S	.	.	S	Bend	trans	-102.6	-22.3	-174.8	-70.5	-175.1	179.4	177.7	0	114.5	V508 S586 Y590	V508-K588 WeakPolarHBondContact CB-O 3.29Å; S586-K588 PolarHBondContact O-N 3.46Å; S586-K588 VanDerWaalsContact O-N 3.14Å; S586-K588 PolarHBondContact OG-N 2.92Å; K588-Y590 HydrophobicContact CB-CE2 4.13Å; K588-Y590 WeakPolarHBondContact CD-OH 3.48Å
589	G	72.9	Confident	81.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.278	C	S	.	.			trans	35.5	86.7	176.7	0	0	0	0	0	114.6	V509 S586	V509-G589 PolarHBondContact N-O 3.22Å; V509-G589 VanDerWaalsContact N-O 3.08Å; S586-G589 PolarHBondContact OG-N 2.89Å
590	Y	85.9	Confident	81.7	Confident	104 Å²	104	58.1 Å²	58.1	41%	0.408	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	149.3	-175.7	-63.1	-79.3	0	0	0	111.9	V508 V582 K588	V508-Y590 HydrophobicContact CG1-CD1 4.33Å; V582-Y590 PolarHBondContact N-O 3.39Å; V582-Y590 PolarHBondContact O-N 2.94Å; K588-Y590 HydrophobicContact CB-CE2 4.13Å; K588-Y590 WeakPolarHBondContact CD-OH 3.48Å
591	M	90.8	Very high	81.6	Confident	8 Å²	8	56.5 Å²	56.5	4%	0.039	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	136	178.2	-59.7	-42.7	-55.8	0	0	111.2	L494 V507 V509 P547 P548 M579 K580 V581 W604	L494-M591 HydrophobicContact CD1-CG 3.88Å; L494-M591 HydrophobicContact CD1-SD 4.13Å; V507-M591 HydrophobicContact CG2-CB 4.18Å; V507-M591 HydrophobicContact CG2-CG 3.93Å; V507-M591 VanDerWaalsContact O-CG 3.3Å; V507-M591 WeakPolarHBondContact O-CG 3.48Å; V509-M591 HydrophobicContact CG1-SD 3.88Å; P547-M591 WeakPolarHBondContact CB-O 3.24Å; P548-M591 HydrophobicContact CG-CB 4.38Å; M579-M591 HydrophobicContact CG-CE 3.34Å; M579-M591 HydrophobicContact SD-CE 3.7Å; K580-M591 WeakPolarHBondContact O-CE 3.29Å; V581-M591 HydrophobicContact CG2-CE 3.83Å; V581-M591 HydrophobicContact CG2-SD 3.89Å; M591-W604 HydrophobicContact CE-CH2 3.51Å; M591-W604 HydrophobicContact CE-CZ2 3.23Å; M591-W604 HydrophobicContact SD-CH2 4.01Å; M591-W604 HydrophobicContact SD-CZ2 4.3Å
592	T	91.6	Very high	81.6	Confident	38 Å²	38	56.3 Å²	56.3	23%	0.233	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	163.4	169.9	-159.9	0	0	0	0	110.9	K580 V582 A594	K580-T592 HydrophobicContact CB-CG2 3.99Å; K580-T592 PolarHBondContact N-O 2.89Å; K580-T592 PolarHBondContact O-N 2.88Å; V582-T592 HydrophobicContact CG2-CG2 3.17Å; T592-A594 HydrophobicContact CG2-CB 4.41Å
593	M	92.9	Very high	82	Confident	9 Å²	9	54.8 Å²	54.8	4%	0.044	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	136.4	163.2	-59.6	-52.3	-59.9	0	0	109.4	V539 P548 W562 Q572 V575 Q577 M579	V539-M593 HydrophobicContact CG1-CG 4.07Å; V539-M593 HydrophobicContact CG2-CG 4Å; V539-M593 HydrophobicContact CG2-SD 3.93Å; P548-M593 HydrophobicContact CG-CG 4.25Å; P548-M593 HydrophobicContact CG-SD 3.64Å; W562-M593 HydrophobicContact CH2-CE 4.37Å; W562-M593 HydrophobicContact CH2-SD 4.01Å; W562-M593 HydrophobicContact CZ3-CE 4.13Å; W562-M593 HydrophobicContact CZ3-SD 4.21Å; Q572-M593 HydrophobicContact CB-CE 3.52Å; Q572-M593 HydrophobicContact CG-CE 4.38Å; V575-M593 HydrophobicContact CG2-CE 3.95Å; Q577-M593 HydrophobicContact CB-CB 4.04Å; Q577-M593 HydrophobicContact CB-CE 3.87Å; Q577-M593 VanDerWaalsContact O-CE 3.29Å; Q577-M593 WeakPolarHBondContact O-CE 3.26Å; M579-M593 HydrophobicContact CB-SD 4.43Å
594	A	91.8	Very high	82.9	Confident	19 Å²	19	51 Å²	51	16%	0.157	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	162.9	-178.2	0	0	0	0	0	111.8	Q577 C578 K580 T592 C596	Q577-A594 VanDerWaalsContact CB-O 3.3Å; Q577-A594 WeakPolarHBondContact CB-O 3.41Å; C578-A594 PolarHBondContact N-O 3.18Å; C578-A594 PolarHBondContact O-N 3.27Å; K580-A594 HydrophobicContact CB-CB 3.97Å; K580-A594 HydrophobicContact CD-CB 3.83Å; T592-A594 HydrophobicContact CG2-CB 4.41Å; A594-C596 PolarHBondContact O-N 3.27Å
595	I	92.4	Very high	84.4	Confident	42 Å²	42	53.3 Å²	53.3	22%	0.215	27%	0.272	C	S	.	.			trans	-51.5	133.9	171.2	-64.1	176.1	0	0	0	109.3	I101 F102 E104 D597 Q602	I101-I595 HydrophobicContact CG2-CG1 3.95Å; I101-I595 HydrophobicContact CG2-CG2 4.3Å; I101-I595 WeakPolarHBondContact O-CG2 3.3Å; F102-I595 WeakPolarHBondContact O-CG2 3.37Å; E104-I595 HydrophobicContact CG-CD1 3.99Å; I595-D597 PolarHBondContact O-N 2.95Å; I595-Q602 PolarHBondContact O-NE2 3.35Å
596	C	91.4	Very high	85.9	Confident	3 Å²	3	46 Å²	46	2%	0.02	23%	0.234	C	C	.	.			trans	-76	88.7	-175.5	-69.1	0	0	0	0	111.1	M100 I101 Q577 C578 A594	M100-C596 HydrophobicContact CG-CB 3.56Å; M100-C596 WeakPolarHBondContact CG-SG 3.22Å; M100-C596 HydrophobicContact SD-CB 3.68Å; I101-C596 WeakPolarHBondContact O-CB 3.31Å; I101-C596 PolarHBondContact O-N 3.41Å; Q577-C596 VanDerWaalsContact C-SG 3.5Å; C578-C596 HydrophobicContact CB-CB 3.97Å; C578-C596 WeakPolarHBondContact CB-SG 3.41Å; C578-C596 WeakPolarHBondContact SG-CB 3.43Å; C578-C596 PolarHBondContact N-SG 3.13Å; C578-C596 PolarHBondContact SG-SG 2.89Å; C578-C596 CovalentContact SG-SG 2.04Å; A594-C596 PolarHBondContact O-N 3.27Å
597	D	90	Very high	87	Confident	94 Å²	94	47.7 Å²	47.7	50%	0.503	24%	0.239	S	C	.	.			trans	-97.9	-11.2	-179.7	64	9.7	0	0	0	113.2	I595 S599 Q602	I595-D597 PolarHBondContact O-N 2.95Å; D597-S599 VanDerWaalsContact CG-OG 3.26Å; D597-S599 PolarHBondContact O-N 2.91Å; D597-S599 WeakPolarHBondContact OD1-CB 3.39Å; D597-S599 PolarHBondContact OD1-N 2.95Å; D597-S599 PolarHBondContact OD1-OG 3.35Å; D597-S599 PolarHBondContact OD2-OG 3.47Å; D597-Q602 PolarHBondContact OD1-NE2 2.84Å; D597-Q602 PolarHBondContact OD1-OE1 3.31Å
598	G	86.3	Confident	87.5	Confident	12 Å²	12	45.7 Å²	45.7	12%	0.124	25%	0.245	C	C	.	.			trans	69	14.5	-177.2	0	0	0	0	0	113.8	Q603	G598-Q603 PolarHBondContact O-NE2 3.39Å
599	S	90.6	Very high	88.8	Confident	34 Å²	34	41.7 Å²	41.7	24%	0.238	23%	0.23	C	C	.	.			trans	-60.6	157.5	175.9	61.9	0	0	0	0	111.6	D597 P601 Q602	D597-S599 VanDerWaalsContact CG-OG 3.26Å; D597-S599 PolarHBondContact O-N 2.91Å; D597-S599 WeakPolarHBondContact OD1-CB 3.39Å; D597-S599 PolarHBondContact OD1-N 2.95Å; D597-S599 PolarHBondContact OD1-OG 3.35Å; D597-S599 PolarHBondContact OD2-OG 3.47Å; S599-P601 VanDerWaalsContact C-N 3.29Å; S599-Q602 WeakPolarHBondContact O-CB 3.1Å; S599-Q602 PolarHBondContact O-N 2.8Å
600	L	89.3	Confident	89.6	Confident	100 Å²	100	43.9 Å²	43.9	52%	0.524	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-50.5	-39.6	-179.9	-65	171.6	0	0	0	114	Q489 Q602 Q603	Q489-L600 HydrophobicContact CB-CB 4.31Å; Q489-L600 HydrophobicContact CG-CB 4.27Å; L600-Q602 PolarHBondContact O-N 3.45Å; L600-Q602 VanDerWaalsContact O-N 3.09Å; L600-Q603 PolarHBondContact O-N 2.84Å
601	P	91.5	Very high	89.8	Confident	25 Å²	25	40.6 Å²	40.6	16%	0.162	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-66.6	-4.4	175.9	-21.1	33.1	0	0	0	116	H487 K580 V581 S599	H487-P601 VanDerWaalsContact NE2-C 3.29Å; H487-P601 WeakPolarHBondContact NE2-CA 3.05Å; H487-P601 PolarHBondContact NE2-O 2.91Å; K580-P601 WeakPolarHBondContact CA-O 2.95Å; K580-P601 HydrophobicContact CG-CB 3.95Å; V581-P601 PolarHBondContact N-O 2.86Å; S599-P601 VanDerWaalsContact C-N 3.29Å
602	Q	92.7	Very high	89.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-109.2	4.5	177.9	-64.9	-169.6	-6.7	0	0	113.3	R569 M579 K580 I595 D597 S599 L600	R569-Q602 WeakPolarHBondContact CA-O 3.48Å; M579-Q602 WeakPolarHBondContact O-CA 3.45Å; K580-Q602 HydrophobicContact CB-CG 3.9Å; K580-Q602 HydrophobicContact CD-CG 4.39Å; K580-Q602 HydrophobicContact CG-CG 4.02Å; I595-Q602 PolarHBondContact O-NE2 3.35Å; D597-Q602 PolarHBondContact OD1-NE2 2.84Å; D597-Q602 PolarHBondContact OD1-OE1 3.31Å; S599-Q602 WeakPolarHBondContact O-CB 3.1Å; S599-Q602 PolarHBondContact O-N 2.8Å; L600-Q602 PolarHBondContact O-N 3.45Å; L600-Q602 VanDerWaalsContact O-N 3.09Å
603	Q	93.1	Very high	89.6	Confident	42 Å²	42	42.8 Å²	42.8	20%	0.196	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-97.1	122.7	-174	-56.6	-174.2	2.5	0	0	112	H487 L488 G598 L600	H487-Q603 PolarHBondContact CD2-O 2.82Å; L488-Q603 HydrophobicContact CB-CB 4.13Å; L488-Q603 HydrophobicContact CD1-CB 3.84Å; L488-Q603 HydrophobicContact CG-CB 4.28Å; L488-Q603 PolarHBondContact N-O 3.18Å; G598-Q603 PolarHBondContact O-NE2 3.39Å; L600-Q603 PolarHBondContact O-N 2.84Å
604	W	93.3	Very high	89.4	Confident	1 Å²	1	45 Å²	45	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.4	-173.7	-62.1	89.3	0	0	0	111.3	Y486 H487 L494 V509 N568 L570 M579 V581 M591	Y486-W604 CarbonylContact O-C 3.52Å; Y486-W604 VanDerWaalsContact O-CA 3.31Å; Y486-W604 WeakPolarHBondContact O-CA 3.37Å; H487-W604 HydrophobicContact CB-CE3 4.09Å; H487-W604 HydrophobicContact CB-CH2 3.98Å; H487-W604 HydrophobicContact CB-CZ3 3.73Å; H487-W604 AromaticContact CD2-CZ2 3.86Å; L494-W604 HydrophobicContact CB-CZ3 3.98Å; L494-W604 HydrophobicContact CD1-CH2 4.16Å; L494-W604 HydrophobicContact CD1-CZ3 4.32Å; V509-W604 HydrophobicContact CG1-CH2 3.7Å; V509-W604 HydrophobicContact CG1-CZ3 4.13Å; N568-W604 WeakPolarHBondContact CB-O 3.19Å; N568-W604 PolarHBondContact O-N 3.48Å; L570-W604 HydrophobicContact CB-CB 4.34Å; L570-W604 HydrophobicContact CB-CG 3.98Å; M579-W604 HydrophobicContact CG-CZ2 4.08Å; M579-W604 PolarHBondContact O-NE1 3.41Å; M579-W604 VanDerWaalsContact O-NE1 3.13Å; M579-W604 HydrophobicContact SD-CZ2 4.22Å; V581-W604 HydrophobicContact CG2-CH2 3.96Å; V581-W604 HydrophobicContact CG2-CZ2 3.8Å; M591-W604 HydrophobicContact CE-CH2 3.51Å; M591-W604 HydrophobicContact CE-CZ2 3.23Å; M591-W604 HydrophobicContact SD-CH2 4.01Å; M591-W604 HydrophobicContact SD-CZ2 4.3Å
605	H	92.8	Very high	89.2	Confident	90 Å²	90	46.9 Å²	46.9	42%	0.417	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.3	173.1	-177.2	64	0	0	0	109.7	Y486 L488	Y486-H605 WeakPolarHBondContact CB-O 3.2Å; Y486-H605 HydrophobicContact CD1-CB 4.49Å; Y486-H605 PolarHBondContact N-O 3.31Å; Y486-H605 PolarHBondContact O-N 2.84Å; L488-H605 HydrophobicContact CD2-CB 3.82Å; L488-H605 HydrophobicContact CG-CB 4.33Å
606	F	90.5	Very high	89	Confident	12 Å²	12	47.2 Å²	47.2	5%	0.053	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	101.9	171.8	-156.6	-67	0	0	0	108	Q481 L485 W521 L529 F564	Q481-F606 HydrophobicContact CB-CD1 4.08Å; Q481-F606 HydrophobicContact CB-CE1 3.82Å; Q481-F606 HydrophobicContact CB-CZ 4.26Å; L485-F606 HydrophobicContact CD2-CB 4.36Å; L485-F606 HydrophobicContact CD2-CD2 3.52Å; L485-F606 HydrophobicContact CD2-CE2 4.19Å; L485-F606 HydrophobicContact CD2-CG 4.26Å; L485-F606 HydrophobicContact CG-CD2 3.87Å; L485-F606 HydrophobicContact CG-CE2 4.06Å; W521-F606 HydrophobicContact CB-CE2 4.11Å; W521-F606 HydrophobicContact CB-CZ 4.09Å; L529-F606 HydrophobicContact CD2-CD2 4.48Å; L529-F606 HydrophobicContact CD2-CE2 3.89Å; F564-F606 HydrophobicContact CE1-CB 4.37Å; F564-F606 HydrophobicContact CE2-CD2 4.33Å; F564-F606 HydrophobicContact CZ-CB 4.21Å; F564-F606 AromaticContact CZ-CD2 3.75Å; F564-F606 HydrophobicContact CZ-CD2 3.75Å; F564-F606 HydrophobicContact CZ-CG 4.45Å
607	E	85.3	Confident	88.8	Confident	62 Å²	62	50.9 Å²	50.9	29%	0.29	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	122.6	177.5	-174	-176.2	-144.3	0	0	108.6	G483 R484 Y514	G483-E607 CarbonylContact C-O 3.51Å; G483-E607 WeakPolarHBondContact CA-O 3.39Å; R484-E607 PolarHBondContact N-O 2.92Å; R484-E607 PolarHBondContact O-N 2.79Å; Y514-E607 PolarHBondContact OH-OE1 2.86Å
608	S	70.3	Confident	88.7	Confident	139 Å²	139	47 Å²	47	97%	0.972	27%	0.271	S	S	*	.			trans	-77.1	0	-177	-45.8	0	0	0	0	112.8	R482	R482-S608 VanDerWaalsContact O-OXT 3.09Å

Retrieved 608 of 608 residues in 331.8 ms (Link to these results)

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