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Polypeptide N-acetylgalactosaminyltransferase 11

Polypeptide N-acetylgalactosaminyltransferase that catalyzes the initiation of protein O-linked glycosylation and is involved in left/right asymmetry by mediating O-glycosylation of NOTCH1. O-glycosylation of NOTCH1 promotes activation of NOTCH1, modulating the balance between motile and immotile (sensory) cilia at the left-right organiser (LRO). Polypeptide N-acetylgalactosaminyltransferases catalyze the transfer of an N-acetyl-D-galactosamine residue to a serine or threonine residue on the protein receptor. Displays the same enzyme activity toward MUC1, MUC4, and EA2 than GALNT1. Not involved in glycosylation of erythropoietin (EPO).

AlphaFold DB , UniProt , Accession Q8NCW6, Species HUMAN (Homo sapiens, Human), Gene GALNT11, 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	50.3	Low	77.2	Confident	228 Å²	228	120.8 Å²	120.8	100%	1.123	63%	0.625	S	S	*	*				0	-6.4	0	-68.5	-178.8	-163.2	0	0	114.9	S3	M1-S3 PolarHBondContact O-N 2.84Å
2	G	60.2	Low	78.1	Confident	57 Å²	57	113.5 Å²	113.5	59%	0.588	60%	0.601	S	S	*	*	H	α-helix	trans	-75.2	-14.6	-174.2	0	0	0	0	0	118.1	V6	G2-V6 WeakPolarHBondContact O-CG2 3.44Å
3	S	74	Confident	78.9	Confident	80 Å²	80	109.5 Å²	109.5	56%	0.559	59%	0.587	S	S	*	*	H	α-helix	trans	-80.2	-28.6	-174.6	-177.4	0	0	0	0	113.9	M1 R7	M1-S3 PolarHBondContact O-N 2.84Å; S3-R7 PolarHBondContact O-N 3.12Å
4	V	78.5	Confident	79.6	Confident	86 Å²	86	110.3 Å²	110.3	52%	0.521	59%	0.59	S	S	.	*	H	α-helix	trans	-78	-42.7	-176.1	178.5	0	0	0	0	110.9	V6 R7 Y8	V4-V6 PolarHBondContact O-N 3.36Å; V4-R7 PolarHBondContact O-N 2.64Å; V4-Y8 HydrophobicContact CG1-CD2 3.72Å; V4-Y8 HydrophobicContact CG1-CE2 3.39Å; V4-Y8 WeakPolarHBondContact O-CD2 3.44Å; V4-Y8 PolarHBondContact O-N 3.21Å; V4-Y8 VanDerWaalsContact O-N 3.13Å
5	T	79.6	Confident	80.3	Confident	102 Å²	102	112.9 Å²	112.9	63%	0.626	59%	0.594	S	S	*	*	H	α-helix	trans	-63.7	-38.9	179.7	-41	0	0	0	0	112.5	Y8 F9	T5-Y8 PolarHBondContact O-N 2.71Å; T5-F9 WeakPolarHBondContact O-CB 3.45Å; T5-F9 PolarHBondContact O-N 3.48Å
6	V	81.8	Confident	80.7	Confident	90 Å²	90	110.6 Å²	110.6	55%	0.545	59%	0.586	S	S	.	*	H	α-helix	trans	-66	-39.1	176.9	174.9	0	0	0	0	111.1	G2 V4 F9 C10	G2-V6 WeakPolarHBondContact O-CG2 3.44Å; V4-V6 PolarHBondContact O-N 3.36Å; V6-F9 PolarHBondContact O-N 3.31Å; V6-C10 PolarHBondContact O-N 2.86Å; V6-C10 PolarHBondContact O-SG 3.28Å; V6-C10 VanDerWaalsContact O-SG 3.33Å
7	R	80.6	Confident	81.2	Confident	161 Å²	161	108.2 Å²	108.2	61%	0.608	58%	0.581	S	S	*	*	H	α-helix	trans	-62.2	-46.2	175.4	-76.5	-178.7	179.7	-177.6	0.6	111.9	S3 V4 F9 C10 Y11	S3-R7 PolarHBondContact O-N 3.12Å; V4-R7 PolarHBondContact O-N 2.64Å; R7-F9 VanDerWaalsContact C-N 3.33Å; R7-F9 PolarHBondContact O-N 2.93Å; R7-C10 PolarHBondContact O-N 2.94Å; R7-Y11 HydrophobicContact CB-CE2 4.16Å; R7-Y11 WeakPolarHBondContact O-CD2 3.39Å; R7-Y11 PolarHBondContact O-N 3.48Å
8	Y	85.7	Confident	81.7	Confident	165 Å²	165	105.2 Å²	105.2	65%	0.647	57%	0.574	S	S	*	*	H	α-helix	trans	-65.3	-35.5	176.7	-74.9	-66.9	0	0	0	112.9	V4 T5 Y11 G12	V4-Y8 HydrophobicContact CG1-CD2 3.72Å; V4-Y8 HydrophobicContact CG1-CE2 3.39Å; V4-Y8 WeakPolarHBondContact O-CD2 3.44Å; V4-Y8 PolarHBondContact O-N 3.21Å; V4-Y8 VanDerWaalsContact O-N 3.13Å; T5-Y8 PolarHBondContact O-N 2.71Å; Y8-Y11 HydrophobicContact CD1-CD2 4.47Å; Y8-Y11 PolarHBondContact O-N 3.1Å; Y8-G12 PolarHBondContact O-N 3.19Å
9	F	84.8	Confident	82.2	Confident	148 Å²	148	102.6 Å²	102.6	65%	0.649	56%	0.561	S	S	*	*	H	α-helix	trans	-62.8	-46.8	172.9	-177.7	-98.3	0	0	0	111.7	T5 V6 R7 Y11 G12 C13	T5-F9 WeakPolarHBondContact O-CB 3.45Å; T5-F9 PolarHBondContact O-N 3.48Å; V6-F9 PolarHBondContact O-N 3.31Å; R7-F9 VanDerWaalsContact C-N 3.33Å; R7-F9 PolarHBondContact O-N 2.93Å; F9-Y11 PolarHBondContact O-N 3.47Å; F9-G12 PolarHBondContact O-N 3.28Å; F9-C13 PolarHBondContact O-N 3.4Å; F9-C13 PolarHBondContact O-SG 3.21Å
10	C	85.7	Confident	82.4	Confident	63 Å²	63	105.9 Å²	105.9	43%	0.426	57%	0.565	S	S	.	*	H	α-helix	trans	-63.6	-39.3	176.1	-67.5	0	0	0	0	112.6	V6 R7 G12 C13 L14	V6-C10 PolarHBondContact O-N 2.86Å; V6-C10 PolarHBondContact O-SG 3.28Å; V6-C10 VanDerWaalsContact O-SG 3.33Å; R7-C10 PolarHBondContact O-N 2.94Å; C10-G12 VanDerWaalsContact C-N 3.33Å; C10-C13 PolarHBondContact O-N 3.35Å; C10-L14 WeakPolarHBondContact O-CB 3.48Å; C10-L14 PolarHBondContact O-N 3.44Å
11	Y	88	Confident	82.8	Confident	149 Å²	149	105 Å²	105	58%	0.584	56%	0.564	S	S	*	*	H	α-helix	trans	-63.7	-38.5	173.1	-68.1	-44.5	0	0	0	112	R7 Y8 F9 L14 F15	R7-Y11 HydrophobicContact CB-CE2 4.16Å; R7-Y11 WeakPolarHBondContact O-CD2 3.39Å; R7-Y11 PolarHBondContact O-N 3.48Å; Y8-Y11 HydrophobicContact CD1-CD2 4.47Å; Y8-Y11 PolarHBondContact O-N 3.1Å; F9-Y11 PolarHBondContact O-N 3.47Å; Y11-L14 PolarHBondContact O-N 3.14Å; Y11-F15 WeakPolarHBondContact O-CB 3.33Å; Y11-F15 PolarHBondContact O-N 3.14Å
12	G	88.2	Confident	84.6	Confident	33 Å²	33	98.4 Å²	98.4	34%	0.34	54%	0.536	S	S	.	.	H	α-helix	trans	-60.5	-48	172.5	0	0	0	0	0	112.3	Y8 F9 C10 L14 F15 T16	Y8-G12 PolarHBondContact O-N 3.19Å; F9-G12 PolarHBondContact O-N 3.28Å; C10-G12 VanDerWaalsContact C-N 3.33Å; G12-L14 PolarHBondContact O-N 3.41Å; G12-F15 PolarHBondContact O-N 2.82Å; G12-T16 WeakPolarHBondContact O-CG2 3.49Å; G12-T16 PolarHBondContact O-N 3.49Å; G12-T16 PolarHBondContact O-OG1 3.08Å; G12-T16 VanDerWaalsContact O-OG1 3.08Å
13	C	88.2	Confident	85.8	Confident	61 Å²	61	100.9 Å²	100.9	41%	0.412	54%	0.535	S	S	.	.	H	α-helix	trans	-60.5	-44.5	176.2	-66.8	0	0	0	0	112.2	F9 C10 T16 S17	F9-C13 PolarHBondContact O-N 3.4Å; F9-C13 PolarHBondContact O-SG 3.21Å; C10-C13 PolarHBondContact O-N 3.35Å; C13-T16 WeakPolarHBondContact CA-OG1 3.41Å; C13-T16 PolarHBondContact O-N 3.44Å; C13-T16 PolarHBondContact O-OG1 3.46Å; C13-S17 WeakPolarHBondContact O-CB 3.35Å; C13-S17 PolarHBondContact O-N 2.7Å
14	L	88.3	Confident	86.2	Confident	121 Å²	121	101 Å²	101	63%	0.634	53%	0.529	S	S	*	.	H	α-helix	trans	-62.2	-44.9	176.9	-89.4	160.2	0	0	0	112.2	C10 Y11 G12 S17 A18	C10-L14 WeakPolarHBondContact O-CB 3.48Å; C10-L14 PolarHBondContact O-N 3.44Å; Y11-L14 PolarHBondContact O-N 3.14Å; G12-L14 PolarHBondContact O-N 3.41Å; L14-S17 PolarHBondContact O-N 2.86Å; L14-A18 WeakPolarHBondContact O-CB 3.35Å; L14-A18 PolarHBondContact O-N 2.96Å
15	F	90.6	Very high	86.6	Confident	149 Å²	149	103.2 Å²	103.2	65%	0.654	53%	0.532	S	S	*	.	H	α-helix	trans	-64.2	-45.5	178.9	-169.5	-95.2	0	0	0	111.4	Y11 G12 S17 A18 T19	Y11-F15 WeakPolarHBondContact O-CB 3.33Å; Y11-F15 PolarHBondContact O-N 3.14Å; G12-F15 PolarHBondContact O-N 2.82Å; F15-S17 PolarHBondContact O-N 3.32Å; F15-A18 PolarHBondContact O-N 2.74Å; F15-T19 HydrophobicContact CD1-CG2 4.16Å; F15-T19 HydrophobicContact CE1-CG2 3.8Å; F15-T19 HydrophobicContact CZ-CG2 4.2Å; F15-T19 PolarHBondContact O-N 2.75Å; F15-T19 PolarHBondContact O-OG1 3.35Å; F15-T19 VanDerWaalsContact O-OG1 3.06Å
16	T	87.3	Confident	86.8	Confident	76 Å²	76	101.5 Å²	101.5	47%	0.466	52%	0.521	S	S	.	.	H	α-helix	trans	-62.4	-41.7	177.1	56.2	0	0	0	0	112.4	G12 C13 T19 W20	G12-T16 WeakPolarHBondContact O-CG2 3.49Å; G12-T16 PolarHBondContact O-N 3.49Å; G12-T16 PolarHBondContact O-OG1 3.08Å; G12-T16 VanDerWaalsContact O-OG1 3.08Å; C13-T16 WeakPolarHBondContact CA-OG1 3.41Å; C13-T16 PolarHBondContact O-N 3.44Å; C13-T16 PolarHBondContact O-OG1 3.46Å; T16-T19 VanDerWaalsContact CA-OG1 3.28Å; T16-T19 WeakPolarHBondContact CA-OG1 3.44Å; T16-T19 PolarHBondContact O-N 3.31Å; T16-T19 PolarHBondContact O-OG1 3.37Å; T16-W20 PolarHBondContact O-N 3.48Å
17	S	89.4	Confident	86.7	Confident	71 Å²	71	104.2 Å²	104.2	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-61.9	-46.3	175.6	-170.7	0	0	0	0	111.2	C13 L14 F15 T19 W20 T21	C13-S17 WeakPolarHBondContact O-CB 3.35Å; C13-S17 PolarHBondContact O-N 2.7Å; L14-S17 PolarHBondContact O-N 2.86Å; F15-S17 PolarHBondContact O-N 3.32Å; S17-T19 PolarHBondContact O-N 3.06Å; S17-W20 PolarHBondContact O-N 3.49Å; S17-T21 PolarHBondContact O-N 3.26Å; S17-T21 PolarHBondContact O-OG1 3.05Å
18	A	90.3	Very high	86.4	Confident	54 Å²	54	103.7 Å²	103.7	45%	0.446	53%	0.525	S	S	.	.	H	α-helix	trans	-62.1	-43.4	177.9	0	0	0	0	0	111.8	L14 F15 W20 T21 V22	L14-A18 WeakPolarHBondContact O-CB 3.35Å; L14-A18 PolarHBondContact O-N 2.96Å; F15-A18 PolarHBondContact O-N 2.74Å; A18-W20 PolarHBondContact O-N 3.49Å; A18-T21 PolarHBondContact O-N 3.05Å; A18-V22 WeakPolarHBondContact O-CG2 3.19Å; A18-V22 PolarHBondContact O-N 2.92Å
19	T	90.2	Very high	85.8	Confident	55 Å²	55	100 Å²	100	34%	0.337	52%	0.516	S	S	.	.	H	α-helix	trans	-63.2	-39.3	176.2	47.2	0	0	0	0	112.6	F15 T16 S17 V22 L23	F15-T19 HydrophobicContact CD1-CG2 4.16Å; F15-T19 HydrophobicContact CE1-CG2 3.8Å; F15-T19 HydrophobicContact CZ-CG2 4.2Å; F15-T19 PolarHBondContact O-N 2.75Å; F15-T19 PolarHBondContact O-OG1 3.35Å; F15-T19 VanDerWaalsContact O-OG1 3.06Å; T16-T19 VanDerWaalsContact CA-OG1 3.28Å; T16-T19 WeakPolarHBondContact CA-OG1 3.44Å; T16-T19 PolarHBondContact O-N 3.31Å; T16-T19 PolarHBondContact O-OG1 3.37Å; S17-T19 PolarHBondContact O-N 3.06Å; T19-V22 PolarHBondContact O-N 3.28Å; T19-L23 WeakPolarHBondContact O-CB 3.31Å; T19-L23 WeakPolarHBondContact O-CG 3.3Å; T19-L23 PolarHBondContact O-N 3.12Å
20	W	86.2	Confident	84.9	Confident	169 Å²	169	101 Å²	101	64%	0.64	52%	0.521	S	S	*	.	H	α-helix	trans	-66.7	-40.1	175.2	-93.5	101.9	0	0	0	112.2	T16 S17 A18 L23 L24	T16-W20 PolarHBondContact O-N 3.48Å; S17-W20 PolarHBondContact O-N 3.49Å; A18-W20 PolarHBondContact O-N 3.49Å; W20-L23 PolarHBondContact O-N 3.41Å; W20-L24 HydrophobicContact CE3-CG 4.47Å; W20-L24 WeakPolarHBondContact O-CB 3.47Å; W20-L24 VanDerWaalsContact O-CG 3.31Å; W20-L24 WeakPolarHBondContact O-CG 3.34Å; W20-L24 PolarHBondContact O-N 3.45Å
21	T	90.5	Very high	82.9	Confident	88 Å²	88	101.1 Å²	101.1	54%	0.54	52%	0.522	S	S	.	.	H	α-helix	trans	-63.2	-42.5	175.2	-54.4	0	0	0	0	111.6	S17 A18 L24 F25	S17-T21 PolarHBondContact O-N 3.26Å; S17-T21 PolarHBondContact O-OG1 3.05Å; A18-T21 PolarHBondContact O-N 3.05Å; T21-L24 PolarHBondContact O-N 3.34Å; T21-F25 VanDerWaalsContact O-CB 3.28Å; T21-F25 WeakPolarHBondContact O-CB 3.45Å; T21-F25 PolarHBondContact O-N 2.96Å
22	V	88.9	Confident	80.6	Confident	89 Å²	89	102.2 Å²	102.2	54%	0.539	53%	0.533	S	S	.	.	H	α-helix	trans	-65.9	-42.3	176.2	172.8	0	0	0	0	111.3	A18 T19 F25 V26	A18-V22 WeakPolarHBondContact O-CG2 3.19Å; A18-V22 PolarHBondContact O-N 2.92Å; T19-V22 PolarHBondContact O-N 3.28Å; V22-F25 WeakPolarHBondContact O-CB 3.15Å; V22-F25 PolarHBondContact O-N 2.9Å; V22-V26 HydrophobicContact CG1-CG2 4.34Å; V22-V26 VanDerWaalsContact O-CG2 3.24Å; V22-V26 WeakPolarHBondContact O-CG2 3.4Å; V22-V26 PolarHBondContact O-N 2.71Å
23	L	84.3	Confident	78	Confident	109 Å²	109	107.3 Å²	107.3	57%	0.571	56%	0.557	S	S	*	*	H	α-helix	trans	-63.7	-42.9	176.5	-80.6	166	0	0	0	112.2	T19 W20 V26 Y27	T19-L23 WeakPolarHBondContact O-CB 3.31Å; T19-L23 WeakPolarHBondContact O-CG 3.3Å; T19-L23 PolarHBondContact O-N 3.12Å; W20-L23 PolarHBondContact O-N 3.41Å; L23-V26 PolarHBondContact O-N 3.38Å; L23-Y27 VanDerWaalsContact O-CB 3.25Å; L23-Y27 WeakPolarHBondContact O-CB 3.36Å; L23-Y27 PolarHBondContact O-N 3.15Å
24	L	83.7	Confident	75.3	Confident	81 Å²	81	110.5 Å²	110.5	42%	0.424	58%	0.575	S	S	.	*	H	α-helix	trans	-64.7	-41.1	174	-73.7	170.7	0	0	0	111	W20 T21 Y27 F28	W20-L24 HydrophobicContact CE3-CG 4.47Å; W20-L24 WeakPolarHBondContact O-CB 3.47Å; W20-L24 VanDerWaalsContact O-CG 3.31Å; W20-L24 WeakPolarHBondContact O-CG 3.34Å; W20-L24 PolarHBondContact O-N 3.45Å; T21-L24 PolarHBondContact O-N 3.34Å; L24-Y27 PolarHBondContact O-N 3.36Å; L24-F28 HydrophobicContact CB-CD2 4.33Å; L24-F28 HydrophobicContact CB-CE2 4.36Å; L24-F28 HydrophobicContact CD2-CE2 4.11Å; L24-F28 WeakPolarHBondContact O-CB 3.27Å; L24-F28 WeakPolarHBondContact O-CD2 3.37Å; L24-F28 PolarHBondContact O-N 2.97Å
25	F	86.6	Confident	72.7	Confident	133 Å²	133	113.5 Å²	113.5	58%	0.583	59%	0.586	S	S	*	*	H	α-helix	trans	-60.8	-47.4	175.3	179.9	-92.9	0	0	0	111.4	T21 V22 F28 N29	T21-F25 VanDerWaalsContact O-CB 3.28Å; T21-F25 WeakPolarHBondContact O-CB 3.45Å; T21-F25 PolarHBondContact O-N 2.96Å; V22-F25 WeakPolarHBondContact O-CB 3.15Å; V22-F25 PolarHBondContact O-N 2.9Å; F25-F28 PolarHBondContact O-N 3Å; F25-N29 VanDerWaalsContact CD2-ND2 3.25Å; F25-N29 WeakPolarHBondContact CD2-ND2 3.49Å; F25-N29 WeakPolarHBondContact CE2-ND2 3.37Å; F25-N29 WeakPolarHBondContact CG-ND2 3.4Å; F25-N29 VanDerWaalsContact CZ-ND2 3.27Å; F25-N29 WeakPolarHBondContact CZ-ND2 3.03Å; F25-N29 VanDerWaalsContact O-CB 3.3Å; F25-N29 WeakPolarHBondContact O-CB 3.38Å; F25-N29 PolarHBondContact O-N 3.13Å; F25-N29 PolarHBondContact O-ND2 3.4Å
26	V	82.5	Confident	69.9	Low	66 Å²	66	112.2 Å²	112.2	40%	0.4	59%	0.592	S	S	.	*	H	α-helix	trans	-62.8	-44.5	176.2	172.4	0	0	0	0	110.3	V22 L23 F28 N29 F30	V22-V26 HydrophobicContact CG1-CG2 4.34Å; V22-V26 VanDerWaalsContact O-CG2 3.24Å; V22-V26 WeakPolarHBondContact O-CG2 3.4Å; V22-V26 PolarHBondContact O-N 2.71Å; L23-V26 PolarHBondContact O-N 3.38Å; V26-F28 PolarHBondContact O-N 3.39Å; V26-N29 PolarHBondContact O-N 2.87Å; V26-F30 HydrophobicContact CG1-CD2 3.9Å; V26-F30 VanDerWaalsContact O-CB 3.31Å; V26-F30 WeakPolarHBondContact O-CB 3.08Å; V26-F30 WeakPolarHBondContact O-CD2 3.4Å; V26-F30 PolarHBondContact O-N 3.44Å
27	Y	79.7	Confident	67.2	Low	148 Å²	148	117 Å²	117	58%	0.58	61%	0.614	S	S	*	*	H	α-helix	trans	-58.7	-49.6	176.4	-178.3	-95.6	0	0	0	111.2	L23 L24 N29 S31	L23-Y27 VanDerWaalsContact O-CB 3.25Å; L23-Y27 WeakPolarHBondContact O-CB 3.36Å; L23-Y27 PolarHBondContact O-N 3.15Å; L24-Y27 PolarHBondContact O-N 3.36Å; Y27-N29 PolarHBondContact O-N 2.62Å; Y27-S31 WeakPolarHBondContact O-CB 3.5Å; Y27-S31 PolarHBondContact O-N 3.23Å; Y27-S31 PolarHBondContact O-OG 3.16Å
28	F	76.2	Confident	64.3	Low	149 Å²	149	122.2 Å²	122.2	65%	0.654	63%	0.628	S	S	*	*	H	α-helix	trans	-71.5	-27.4	-179.6	-74.4	-63.1	0	0	0	113.9	L24 F25 V26	L24-F28 HydrophobicContact CB-CD2 4.33Å; L24-F28 HydrophobicContact CB-CE2 4.36Å; L24-F28 HydrophobicContact CD2-CE2 4.11Å; L24-F28 WeakPolarHBondContact O-CB 3.27Å; L24-F28 WeakPolarHBondContact O-CD2 3.37Å; L24-F28 PolarHBondContact O-N 2.97Å; F25-F28 PolarHBondContact O-N 3Å; V26-F28 PolarHBondContact O-N 3.39Å
29	N	72.6	Confident	61.3	Low	87 Å²	87	126.1 Å²	126.1	47%	0.465	64%	0.641	S	S	.	*	H	α-helix	trans	-88.4	-25.8	178.6	-77.4	-88.5	0	0	0	113.9	F25 V26 Y27	F25-N29 VanDerWaalsContact CD2-ND2 3.25Å; F25-N29 WeakPolarHBondContact CD2-ND2 3.49Å; F25-N29 WeakPolarHBondContact CE2-ND2 3.37Å; F25-N29 WeakPolarHBondContact CG-ND2 3.4Å; F25-N29 VanDerWaalsContact CZ-ND2 3.27Å; F25-N29 WeakPolarHBondContact CZ-ND2 3.03Å; F25-N29 VanDerWaalsContact O-CB 3.3Å; F25-N29 WeakPolarHBondContact O-CB 3.38Å; F25-N29 PolarHBondContact O-N 3.13Å; F25-N29 PolarHBondContact O-ND2 3.4Å; V26-N29 PolarHBondContact O-N 2.87Å; Y27-N29 PolarHBondContact O-N 2.62Å
30	F	64.7	Low	58.4	Low	170 Å²	170	129.8 Å²	129.8	75%	0.746	66%	0.663	S	S	*	*	H	α-helix	trans	-108	-5.7	-178.7	-73.5	-87.3	0	0	0	113.7	V26 E32	V26-F30 HydrophobicContact CG1-CD2 3.9Å; V26-F30 VanDerWaalsContact O-CB 3.31Å; V26-F30 WeakPolarHBondContact O-CB 3.08Å; V26-F30 WeakPolarHBondContact O-CD2 3.4Å; V26-F30 PolarHBondContact O-N 3.44Å; F30-E32 PolarHBondContact O-N 3.12Å
31	S	44.5	Very low	55.9	Low	65 Å²	65	127 Å²	127	46%	0.455	67%	0.667	S	S	.	*			trans	-86.4	52.5	167.1	-49.4	0	0	0	0	110.9	Y27	Y27-S31 WeakPolarHBondContact O-CB 3.5Å; Y27-S31 PolarHBondContact O-N 3.23Å; Y27-S31 PolarHBondContact O-OG 3.16Å
32	E	39.5	Very low	53.1	Low	173 Å²	173	129.8 Å²	129.8	81%	0.808	68%	0.683	S	S	*	*			trans	-98.9	88.2	162.9	-79.9	-160	156.9	0	0	108.9	F30 T34	F30-E32 PolarHBondContact O-N 3.12Å; E32-T34 PolarHBondContact O-N 2.95Å
33	V	34.1	Very low	50.3	Low	140 Å²	140	135.8 Å²	135.8	85%	0.848	70%	0.702	S	S	*	*			trans	-78.2	107.1	145.6	175.7	0	0	0	0	105.9	Q35	V33-Q35 PolarHBondContact O-N 3.43Å
34	T	31.5	Very low	47.7	Very low	128 Å²	128	134.4 Å²	134.4	79%	0.785	71%	0.714	S	S	*	*	S	Bend	trans	-16	107.6	164.9	11.3	0	0	0	0	116.2	E32	E32-T34 PolarHBondContact O-N 2.95Å
35	Q	33.1	Very low	45.3	Very low	184 Å²	184	136.8 Å²	136.8	86%	0.86	74%	0.737	S	S	*	*				174.4	152.4	112.2	-91.8	-167.9	-0.3	0	0	112.4	V33	V33-Q35 PolarHBondContact O-N 3.43Å
36	P	31.5	Very low	42.5	Very low	121 Å²	121	134 Å²	134	79%	0.786	75%	0.747	S	S	*	*			trans	-100.8	129.6	-143.3	35.7	-30.3	0	0	0	114.4
37	L	30.5	Very low	40.3	Very low	178 Å²	178	136.3 Å²	136.3	93%	0.932	76%	0.763	S	S	*	*			trans	-101.3	99.3	163.7	-94	156.9	0	0	0	109.7
38	K	28.6	Very low	38.1	Very low	180 Å²	180	138.9 Å²	138.9	78%	0.783	78%	0.78	S	S	*	*			trans	-80.9	136.2	164	-125.8	178.1	-176.4	178.4	0	109
39	N	28.8	Very low	35.9	Very low	135 Å²	135	135.3 Å²	135.3	72%	0.722	79%	0.785	S	S	*	*			trans	86	114.8	164.2	-45	-27	0	0	0	113.5
40	V	28.1	Very low	34.1	Very low	133 Å²	133	136.9 Å²	136.9	81%	0.806	80%	0.8	S	S	*	*				178.2	161.6	81	158.4	0	0	0	0	105.9
41	P	34.4	Very low	32.3	Very low	111 Å²	111	133.6 Å²	133.6	72%	0.721	80%	0.798	S	S	*	*			cis	-141.4	169.4	16.6	17.9	9.4	0	0	0	117.8
42	V	31.8	Very low	31.7	Very low	146 Å²	146	136.7 Å²	136.7	89%	0.885	82%	0.817	S	S	*	*			trans	-121.5	136.6	147.2	179.1	0	0	0	0	109.6
43	K	29.9	Very low	31.3	Very low	215 Å²	215	138 Å²	138	94%	0.935	82%	0.82	S	S	*	*			trans	-59	146.9	-175.5	-82	171.3	166.9	175.1	0	114.8
44	G	30.6	Very low	31.1	Very low	80 Å²	80	139.1 Å²	139.1	83%	0.825	81%	0.813	S	S	*	*			trans	-159.2	137	160	0	0	0	0	0	110.7
45	S	31.4	Very low	30.9	Very low	130 Å²	130	143.1 Å²	143.1	91%	0.909	82%	0.82	S	S	*	*			trans	-79.2	149	-162.2	41.5	0	0	0	0	117.7
46	G	29.3	Very low	30.7	Very low	75 Å²	75	143.3 Å²	143.3	77%	0.773	81%	0.814	S	S	*	*			trans	153	129.2	161	0	0	0	0	0	114.7
47	P	34.9	Very low	30.5	Very low	115 Å²	115	142.6 Å²	142.6	75%	0.747	81%	0.81	S	S	*	*			trans	-102.1	139.5	-169.6	36.8	-29.1	0	0	0	114.1
48	H	34	Very low	30.4	Very low	202 Å²	202	145.6 Å²	145.6	94%	0.935	81%	0.808	S	S	*	*			trans	166.9	123.8	145.4	-85.5	-55.8	0	0	0	110.5
49	G	29.9	Very low	30.7	Very low	74 Å²	74	146.4 Å²	146.4	76%	0.763	81%	0.812	S	S	*	*			trans	111	150.4	164	0	0	0	0	0	117
50	P	34.3	Very low	30.9	Very low	119 Å²	119	146.3 Å²	146.3	77%	0.773	82%	0.817	S	S	*	*				-111.7	151.2	-126.5	38	-31	0	0	0	116.9
51	S	28.1	Very low	30.9	Very low	101 Å²	101	151.8 Å²	151.8	71%	0.706	82%	0.823	S	S	*	*			trans	49.5	132.3	153.5	44	0	0	0	0	120.4	K53	S51-K53 PolarHBondContact O-N 3.4Å
52	P	32	Very low	30.7	Very low	131 Å²	131	149.1 Å²	149.1	85%	0.851	82%	0.816	S	S	*	*			trans	-75.1	118.4	-170.6	31.2	-31.9	0	0	0	111.4	K54	P52-K54 PolarHBondContact O-N 2.78Å
53	K	30.4	Very low	30.7	Very low	200 Å²	200	148.2 Å²	148.2	87%	0.87	81%	0.813	S	S	*	*			trans	-61.5	128.6	169.7	-71.9	-177.5	176.4	-178.1	0	109.9	S51 F55	S51-K53 PolarHBondContact O-N 3.4Å; K53-F55 PolarHBondContact O-N 3.16Å
54	K	29.1	Very low	30.5	Very low	164 Å²	164	143.5 Å²	143.5	71%	0.713	81%	0.807	S	S	*	*			trans	-45.9	127.8	166.1	-77.8	172.7	176.5	170.6	0	109.5	P52 Y56	P52-K54 PolarHBondContact O-N 2.78Å; K54-Y56 HydrophobicContact CB-CD2 4.49Å; K54-Y56 HydrophobicContact CB-CE2 4.17Å; K54-Y56 WeakPolarHBondContact O-CD2 3.46Å; K54-Y56 PolarHBondContact O-N 3.18Å
55	F	27.9	Very low	30.4	Very low	211 Å²	211	150.3 Å²	150.3	93%	0.925	81%	0.807	S	S	*	*			trans	-63.5	101.3	174.2	-118.9	-97.8	0	0	0	109	K53	K53-F55 PolarHBondContact O-N 3.16Å
56	Y	28.3	Very low	30.3	Very low	189 Å²	189	150.4 Å²	150.4	74%	0.741	80%	0.803	S	S	*	*			trans	-93.5	132.4	156.1	-71.4	-90.4	0	0	0	106.8	K54 R58	K54-Y56 HydrophobicContact CB-CD2 4.49Å; K54-Y56 HydrophobicContact CB-CE2 4.17Å; K54-Y56 WeakPolarHBondContact O-CD2 3.46Å; K54-Y56 PolarHBondContact O-N 3.18Å; Y56-R58 PolarHBondContact O-N 2.94Å
57	P	28.7	Very low	30.2	Very low	106 Å²	106	154.1 Å²	154.1	69%	0.688	80%	0.804	S	S	*	*			trans	-63.7	111.6	174.7	25.7	-29.6	0	0	0	108.3	F59	P57-F59 PolarHBondContact O-N 2.82Å; P57-F59 VanDerWaalsContact O-N 3.16Å
58	R	28.4	Very low	29.9	Very low	240 Å²	240	155.7 Å²	155.7	91%	0.906	80%	0.801	S	S	*	*			trans	-64.4	110.1	167.1	-108	-179.8	-178.2	176.3	0	107.2	Y56 T60	Y56-R58 PolarHBondContact O-N 2.94Å; R58-T60 PolarHBondContact O-N 3.1Å
59	F	34.8	Very low	29.6	Very low	198 Å²	198	151.4 Å²	151.4	87%	0.868	79%	0.791	S	S	*	*			trans	-62.9	106.5	159.5	-80.7	-87.3	0	0	0	107.9	P57 R61	P57-F59 PolarHBondContact O-N 2.82Å; P57-F59 VanDerWaalsContact O-N 3.16Å; F59-R61 PolarHBondContact O-N 3.18Å
60	T	31.9	Very low	29.6	Very low	132 Å²	132	156.3 Å²	156.3	81%	0.81	79%	0.794	S	S	*	*			trans	-61.7	117.6	165.4	39.2	0	0	0	0	108.4	R58 G62	R58-T60 PolarHBondContact O-N 3.1Å; T60-G62 PolarHBondContact O-N 3.14Å
61	R	29.7	Very low	29.4	Very low	249 Å²	249	159.8 Å²	159.8	94%	0.94	80%	0.798	S	S	*	*			trans	-52.6	110	163	-79.4	179.9	172.9	172.8	-3	108.3	F59	F59-R61 PolarHBondContact O-N 3.18Å
62	G	29.7	Very low	29.3	Very low	55 Å²	55	163.7 Å²	163.7	57%	0.567	80%	0.802	S	S	*	*			trans	-65	160	159.5	0	0	0	0	0	109.9	T60 S64	T60-G62 PolarHBondContact O-N 3.14Å; G62-S64 PolarHBondContact O-N 2.77Å
63	P	30.4	Very low	29	Very low	126 Å²	126	162.2 Å²	162.2	82%	0.818	80%	0.801	S	S	*	*			trans	-62.7	130.5	-172.8	27	-31.8	0	0	0	109.8	R65	P63-R65 VanDerWaalsContact C-N 3.28Å; P63-R65 PolarHBondContact O-N 3.29Å
64	S	27.5	Very low	28.9	Very low	116 Å²	116	159.7 Å²	159.7	81%	0.811	80%	0.797	S	S	*	*			trans	-56.3	92	168.3	-61	0	0	0	0	109.3	G62 V66	G62-S64 PolarHBondContact O-N 2.77Å; S64-V66 VanDerWaalsContact C-N 3.33Å; S64-V66 PolarHBondContact O-N 2.94Å
65	R	28.5	Very low	28.9	Very low	223 Å²	223	160.9 Å²	160.9	84%	0.842	80%	0.802	S	S	*	*			trans	-71.1	103.7	148.9	-82.7	-173	174.9	-177.8	-1.1	105.4	P63 L67	P63-R65 VanDerWaalsContact C-N 3.28Å; P63-R65 PolarHBondContact O-N 3.29Å; R65-L67 PolarHBondContact O-N 2.89Å
66	V	27.5	Very low	29	Very low	133 Å²	133	158.6 Å²	158.6	81%	0.806	80%	0.798	S	S	*	*			trans	-51.4	92.5	154.6	177.5	0	0	0	0	105.8	S64	S64-V66 VanDerWaalsContact C-N 3.33Å; S64-V66 PolarHBondContact O-N 2.94Å
67	L	28.4	Very low	28.9	Very low	152 Å²	152	156 Å²	156	80%	0.796	80%	0.797	S	S	*	*			trans	-82	111.3	159.1	-123.8	93.3	0	0	0	104.3	R65	R65-L67 PolarHBondContact O-N 2.89Å
68	E	27.9	Very low	28.8	Very low	148 Å²	148	158.5 Å²	158.5	69%	0.692	80%	0.804	S	S	*	*			trans	-42	132.8	171.2	-69.6	174	136.8	0	0	110.3	Q70	E68-Q70 VanDerWaalsContact C-N 3.34Å; E68-Q70 PolarHBondContact O-N 3.21Å
69	P	29.1	Very low	28.9	Very low	112 Å²	112	153.1 Å²	153.1	73%	0.727	80%	0.798	S	S	*	*			trans	-68.9	100.9	164.1	28.4	-27.8	0	0	0	106.9	F71	P69-F71 PolarHBondContact O-N 2.77Å
70	Q	28.7	Very low	28.6	Very low	178 Å²	178	152 Å²	152	83%	0.832	80%	0.799	S	S	*	*			trans	-71.4	35.4	155.5	-72.1	-164.6	-4.2	0	0	111.4	E68 K72	E68-Q70 VanDerWaalsContact C-N 3.34Å; E68-Q70 PolarHBondContact O-N 3.21Å; Q70-K72 VanDerWaalsContact C-N 3.28Å; Q70-K72 PolarHBondContact O-N 2.84Å
71	F	29.7	Very low	28.3	Very low	192 Å²	192	153 Å²	153	84%	0.842	80%	0.799	S	S	*	*			trans	-84.6	85.2	147.5	-99	-94.3	0	0	0	105.9	P69 A73	P69-F71 PolarHBondContact O-N 2.77Å; F71-A73 PolarHBondContact O-N 3.32Å
72	K	27.4	Very low	28.1	Very low	182 Å²	182	145.5 Å²	145.5	79%	0.791	79%	0.785	S	S	*	*			trans	-52.4	116	163.1	-89.8	-178	174.5	178.2	0	107.2	Q70 N74	Q70-K72 VanDerWaalsContact C-N 3.28Å; Q70-K72 PolarHBondContact O-N 2.84Å; K72-N74 PolarHBondContact O-N 2.03Å
73	A	25.5	Very low	28	Very low	100 Å²	100	152.6 Å²	152.6	83%	0.826	80%	0.795	S	S	*	*			trans	-54.4	91.1	161.8	0	0	0	0	0	108.9	F71	F71-A73 PolarHBondContact O-N 3.32Å
74	N	28.5	Very low	27.9	Very low	148 Å²	148	153.4 Å²	153.4	79%	0.791	80%	0.797	S	S	*	*			trans	-98	98.7	155.1	-82.4	-7.1	0	0	0	106.2	K72	K72-N74 PolarHBondContact O-N 2.03Å
75	K	29.5	Very low	27.8	Very low	188 Å²	188	154.9 Å²	154.9	82%	0.817	79%	0.791	S	S	*	*			trans	30.1	101.8	152.9	-69.2	-179.7	173.3	-174.5	0	116.5
76	I	29.3	Very low	27.6	Very low	164 Å²	164	150.7 Å²	150.7	84%	0.841	79%	0.785	S	S	*	*	S	Bend	trans	-61.3	138.9	140	-62.6	165.4	0	0	0	106.1
77	D	26.4	Very low	27.7	Very low	134 Å²	134	150.1 Å²	150.1	72%	0.717	79%	0.785	S	S	*	*	S	Bend	trans	90.1	113.6	-164	-54.3	-26	0	0	0	112.4
78	D	25.8	Very low	27.7	Very low	158 Å²	158	151.3 Å²	151.3	85%	0.845	79%	0.786	S	S	*	*	S	Bend	trans	96.4	44	-177.8	-55.8	-23.8	0	0	0	118.2
79	V	30.7	Very low	27.7	Very low	128 Å²	128	153.4 Å²	153.4	78%	0.776	80%	0.796	S	S	*	*			trans	-143.6	54.7	146.7	-165.3	0	0	0	0	109.6
80	I	28.9	Very low	27.7	Very low	174 Å²	174	150.9 Å²	150.9	89%	0.892	79%	0.79	S	S	*	*	S	Bend	trans	-110.1	88.4	155	-61.7	172.8	0	0	0	103.5
81	D	26.1	Very low	28	Very low	152 Å²	152	149.4 Å²	149.4	81%	0.813	78%	0.783	S	S	*	*	S	Bend	trans	146.2	79.7	162.8	-163.8	17.4	0	0	0	109.6
82	S	25.1	Very low	28.5	Very low	93 Å²	93	148 Å²	148	65%	0.65	78%	0.784	S	S	*	*	S	Bend	trans	174.7	123	143.7	40.1	0	0	0	0	110.5
83	R	27.8	Very low	29.5	Very low	204 Å²	204	148.4 Å²	148.4	77%	0.77	79%	0.785	S	S	*	*			trans	74.4	74.5	168.6	-56	-174.9	-172.2	-174.1	1.3	116.3	E85	R83-E85 HydrophobicContact CB-CG 4.49Å; R83-E85 PolarHBondContact O-N 3.35Å
84	V	27.1	Very low	31	Very low	143 Å²	143	148.1 Å²	148.1	87%	0.867	77%	0.766	S	S	*	*				-58.8	86.8	127.5	179.2	0	0	0	0	106.7
85	E	25.5	Very low	33	Very low	147 Å²	147	143.6 Å²	143.6	69%	0.687	75%	0.745	S	S	*	*			trans	-98.7	110.2	150.3	-84.7	175.5	-178.2	0	0	104.4	R83	R83-E85 HydrophobicContact CB-CG 4.49Å; R83-E85 PolarHBondContact O-N 3.35Å
86	D	24.2	Very low	34.9	Very low	134 Å²	134	137.4 Å²	137.4	72%	0.717	73%	0.726	S	S	*	*			trans	-43.5	129.2	163.2	-90.1	-42.9	0	0	0	107.7	E88	D86-E88 PolarHBondContact O-N 3.25Å
87	P	31	Very low	37.4	Very low	121 Å²	121	131.5 Å²	131.5	79%	0.786	70%	0.695	S	S	*	*			trans	-61.3	106.2	157.1	26.8	-25.1	0	0	0	104.1	E89	P87-E89 PolarHBondContact O-N 2.97Å
88	E	28.3	Very low	40.3	Very low	177 Å²	177	126.6 Å²	126.6	83%	0.827	67%	0.668	S	S	*	*			trans	-34.2	136.6	166.1	-74.2	-171.9	149.7	0	0	108.3	D86 G90	D86-E88 PolarHBondContact O-N 3.25Å; E88-G90 PolarHBondContact O-N 3.46Å
89	E	28.2	Very low	43.4	Very low	193 Å²	193	119.2 Å²	119.2	90%	0.902	63%	0.629	S	S	*	*			trans	-48.9	72	172.1	-71.7	176.6	134.7	0	0	111.2	P87 H91	P87-E89 PolarHBondContact O-N 2.97Å; E89-H91 VanDerWaalsContact C-N 3.26Å; E89-H91 PolarHBondContact O-N 3.29Å
90	G	28.2	Very low	46.3	Very low	59 Å²	59	113.1 Å²	113.1	61%	0.608	59%	0.592	S	S	*	*			trans	-84.8	83.7	174.2	0	0	0	0	0	104.3	E88 L92	E88-G90 PolarHBondContact O-N 3.46Å; G90-L92 PolarHBondContact O-N 3.19Å
91	H	34.3	Very low	49.4	Very low	147 Å²	147	104.8 Å²	104.8	68%	0.681	55%	0.55	S	S	*	.			trans	-45.2	102.2	159.3	-77.4	-61.9	0	0	0	106.6	E89 K93 D132	E89-H91 VanDerWaalsContact C-N 3.26Å; E89-H91 PolarHBondContact O-N 3.29Å; H91-K93 PolarHBondContact O-N 3.36Å; H91-D132 IonicContact CE1-OD2 2.77Å; H91-D132 IonicContact ND1-OD2 3.61Å; H91-D132 PolarHBondContact ND1-OD2 2.86Å
92	L	41.6	Very low	52.5	Low	163 Å²	163	102.2 Å²	102.2	85%	0.853	53%	0.532	S	S	*	.			trans	-64.3	83.3	173.1	-102.8	148.4	0	0	0	105.2	G90 F94	G90-L92 PolarHBondContact O-N 3.19Å; L92-F94 PolarHBondContact O-N 2.85Å
93	K	47.8	Very low	55.8	Low	190 Å²	190	101.2 Å²	101.2	83%	0.826	52%	0.519	S	S	*	.			trans	-51	117.4	171.8	-102.8	-179	177	174.5	0	105	H91 S95	H91-K93 PolarHBondContact O-N 3.36Å; K93-S95 VanDerWaalsContact C-N 3.31Å; K93-S95 PolarHBondContact O-N 3.18Å
94	F	57.7	Low	59	Low	94 Å²	94	98.5 Å²	98.5	41%	0.412	52%	0.515	S	S	.	.			trans	-49.3	97.1	-178.3	-158.7	-97.8	0	0	0	109.2	L92 S96 L98 L127 R131 T281 A283	L92-F94 PolarHBondContact O-N 2.85Å; F94-S96 PolarHBondContact O-N 2.99Å; F94-L98 HydrophobicContact CD2-CD1 4.16Å; F94-L98 HydrophobicContact CE2-CD1 4.18Å; F94-L98 HydrophobicContact CG-CD1 4.44Å; F94-L127 HydrophobicContact CD2-CD2 4.27Å; F94-L127 HydrophobicContact CE2-CD1 4.34Å; F94-L127 HydrophobicContact CE2-CD2 3.8Å; F94-R131 VanDerWaalsContact CE2-NH1 3.32Å; F94-T281 WeakPolarHBondContact CZ-O 3.16Å; F94-A283 HydrophobicContact CE1-CB 4.01Å; F94-A283 HydrophobicContact CZ-CB 4.31Å
95	S	70.6	Confident	62.2	Low	52 Å²	52	101.3 Å²	101.3	36%	0.364	51%	0.51	S	S	.	.			trans	-77	129.3	-175.4	176.9	0	0	0	0	107.4	K93 E97 L98	K93-S95 VanDerWaalsContact C-N 3.31Å; K93-S95 PolarHBondContact O-N 3.18Å; S95-E97 PolarHBondContact O-N 3.31Å; S95-E97 PolarHBondContact OG-N 2.9Å; S95-L98 WeakPolarHBondContact O-CB 3.19Å; S95-L98 PolarHBondContact O-N 3.27Å
96	S	68.2	Low	65.5	Low	59 Å²	59	95.2 Å²	95.2	41%	0.413	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-55.7	-21	172.3	51.4	0	0	0	0	112.1	F94 Y571	F94-S96 PolarHBondContact O-N 2.99Å; S96-Y571 WeakPolarHBondContact O-CE1 3.18Å
97	E	82.1	Confident	68.7	Low	39 Å²	39	90 Å²	90	18%	0.182	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-84.2	-1.3	-179.9	-52.5	-173.2	152.6	0	0	113.9	S95 G99 M100 K566	S95-E97 PolarHBondContact O-N 3.31Å; S95-E97 PolarHBondContact OG-N 2.9Å; E97-G99 PolarHBondContact O-N 2.8Å; E97-M100 HydrophobicContact CB-CB 4.32Å; E97-M100 HydrophobicContact CB-CE 4.03Å; E97-M100 HydrophobicContact CG-CE 3.71Å; E97-M100 WeakPolarHBondContact O-CB 3.49Å; E97-M100 PolarHBondContact O-N 3.35Å; E97-K566 PolarHBondContact OE1-N 3.3Å
98	L	87.5	Confident	71.7	Confident	32 Å²	32	90.4 Å²	90.4	17%	0.168	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-56.5	-33.8	178.1	-90.4	160	0	0	0	113.1	F94 S95 I123 R126 L127	F94-L98 HydrophobicContact CD2-CD1 4.16Å; F94-L98 HydrophobicContact CE2-CD1 4.18Å; F94-L98 HydrophobicContact CG-CD1 4.44Å; S95-L98 WeakPolarHBondContact O-CB 3.19Å; S95-L98 PolarHBondContact O-N 3.27Å; L98-I123 HydrophobicContact CB-CG2 4.42Å; L98-R126 HydrophobicContact CD2-CB 3.97Å; L98-R126 WeakPolarHBondContact O-CD 3.1Å; L98-R126 PolarHBondContact O-NH1 3.26Å; L98-L127 HydrophobicContact CD1-CD2 3.83Å; L98-L127 HydrophobicContact CD2-CD2 4.49Å
99	G	90.2	Very high	74.8	Confident	2 Å²	2	84.4 Å²	84.4	2%	0.021	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-87	-0.8	176.1	0	0	0	0	0	115	E97 I101 Y571 G576	E97-G99 PolarHBondContact O-N 2.8Å; G99-I101 PolarHBondContact O-N 3.43Å; G99-Y571 WeakPolarHBondContact CA-OH 3.47Å; G99-Y571 PolarHBondContact O-OH 2.95Å; G99-G576 WeakPolarHBondContact O-CA 3.09Å
100	M	92.3	Very high	77.9	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	38%	0.377	C	S	.	.			trans	-69.8	129.8	-174.3	-167.4	177.6	-67.4	0	0	110.8	E97 F102 R126 Y571 C596	E97-M100 HydrophobicContact CB-CB 4.32Å; E97-M100 HydrophobicContact CB-CE 4.03Å; E97-M100 HydrophobicContact CG-CE 3.71Å; E97-M100 WeakPolarHBondContact O-CB 3.49Å; E97-M100 PolarHBondContact O-N 3.35Å; M100-F102 HydrophobicContact CB-CE1 4.39Å; M100-F102 HydrophobicContact CB-CE2 3.95Å; M100-F102 HydrophobicContact CB-CZ 3.79Å; M100-F102 HydrophobicContact CG-CD1 4.45Å; M100-F102 HydrophobicContact CG-CE1 3.92Å; M100-F102 HydrophobicContact CG-CE2 4.3Å; M100-F102 HydrophobicContact CG-CZ 3.83Å; M100-F102 WeakPolarHBondContact O-CD2 3.1Å; M100-F102 WeakPolarHBondContact O-CE2 3.28Å; M100-F102 HydrophobicContact SD-CD1 4.34Å; M100-F102 HydrophobicContact SD-CE1 3.44Å; M100-F102 WeakPolarHBondContact SD-CE1 3.5Å; M100-F102 HydrophobicContact SD-CZ 3.62Å; M100-R126 PolarHBondContact O-NH1 3.43Å; M100-R126 PolarHBondContact O-NH2 3.18Å; M100-Y571 HydrophobicContact CB-CD2 4.49Å; M100-Y571 HydrophobicContact CB-CE2 3.93Å; M100-Y571 HydrophobicContact CE-CD1 4.35Å; M100-Y571 HydrophobicContact CE-CD2 3.88Å; M100-Y571 HydrophobicContact CE-CE2 4.38Å; M100-Y571 HydrophobicContact CE-CG 3.86Å; M100-Y571 HydrophobicContact CG-CD2 4.17Å; M100-Y571 HydrophobicContact CG-CE2 4.03Å; M100-Y571 PolarHBondContact N-OH 3.08Å; M100-C596 HydrophobicContact CG-CB 3.56Å; M100-C596 WeakPolarHBondContact CG-SG 3.25Å; M100-C596 HydrophobicContact SD-CB 3.57Å; M100-C596 VanDerWaalsContact SD-CB 3.57Å
101	I	93.1	Very high	80.9	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	36%	0.362	C	S	.	.			trans	-90.1	116.3	179.5	-63.2	174.4	0	0	0	107.4	G99 N103 D106 Q107 L122 V575 G576 Q577 I595 C596	G99-I101 PolarHBondContact O-N 3.43Å; I101-N103 WeakPolarHBondContact CG2-O 3.37Å; I101-D106 HydrophobicContact CB-CB 4.27Å; I101-D106 HydrophobicContact CG1-CB 4.38Å; I101-D106 HydrophobicContact CG2-CB 3.86Å; I101-Q107 HydrophobicContact CD1-CB 4.46Å; I101-Q107 HydrophobicContact CG2-CB 3.88Å; I101-L122 HydrophobicContact CG1-CD2 4.05Å; I101-V575 VanDerWaalsContact CD1-O 3.31Å; I101-V575 WeakPolarHBondContact CD1-O 3.08Å; I101-G576 VanDerWaalsContact CB-O 3.27Å; I101-G576 WeakPolarHBondContact CB-O 3.34Å; I101-G576 WeakPolarHBondContact CG1-O 3.5Å; I101-G576 PolarHBondContact N-O 3.46Å; I101-Q577 HydrophobicContact CD1-CG 4.05Å; I101-I595 HydrophobicContact CG2-CG1 3.96Å; I101-I595 HydrophobicContact CG2-CG2 4.36Å; I101-I595 WeakPolarHBondContact O-CG2 3.5Å; I101-C596 PolarHBondContact O-N 3.18Å
102	F	92.8	Very high	83.7	Confident	98 Å²	98	71.5 Å²	71.5	43%	0.43	35%	0.345	S	S	.	.			trans	-103.2	-17.4	-178.9	-64.1	-73.1	0	0	0	113	M100 D106 I595	M100-F102 HydrophobicContact CB-CE1 4.39Å; M100-F102 HydrophobicContact CB-CE2 3.95Å; M100-F102 HydrophobicContact CB-CZ 3.79Å; M100-F102 HydrophobicContact CG-CD1 4.45Å; M100-F102 HydrophobicContact CG-CE1 3.92Å; M100-F102 HydrophobicContact CG-CE2 4.3Å; M100-F102 HydrophobicContact CG-CZ 3.83Å; M100-F102 WeakPolarHBondContact O-CD2 3.1Å; M100-F102 WeakPolarHBondContact O-CE2 3.28Å; M100-F102 HydrophobicContact SD-CD1 4.34Å; M100-F102 HydrophobicContact SD-CE1 3.44Å; M100-F102 WeakPolarHBondContact SD-CE1 3.5Å; M100-F102 HydrophobicContact SD-CZ 3.62Å; F102-D106 PolarHBondContact N-OD2 2.94Å; F102-I595 WeakPolarHBondContact O-CG2 3.39Å
103	N	94.3	Very high	86.1	Confident	72 Å²	72	63.8 Å²	63.8	39%	0.385	31%	0.305	S	S	.	.	S	Bend	trans	-154.3	174.8	-177.9	57.1	61.9	0	0	0	111.1	I101 R105 D106 Q107	I101-N103 WeakPolarHBondContact CG2-O 3.37Å; N103-R105 VanDerWaalsContact C-N 3.3Å; N103-R105 PolarHBondContact O-N 2.87Å; N103-R105 WeakPolarHBondContact OD1-CA 3.41Å; N103-R105 WeakPolarHBondContact OD1-CB 3.23Å; N103-R105 PolarHBondContact OD1-N 3.41Å; N103-R105 VanDerWaalsContact OD1-N 3.08Å; N103-D106 PolarHBondContact O-N 2.86Å; N103-D106 PolarHBondContact OD1-N 2.98Å; N103-Q107 PolarHBondContact O-N 3.12Å
104	E	93.6	Very high	88.2	Confident	147 Å²	147	56.1 Å²	56.1	69%	0.687	27%	0.271	S	S	*	.	H	α-helix	trans	-64	-33.9	-179	-66.2	175.7	171	0	0	112.4	D106 Q107 E108 I595	E104-D106 PolarHBondContact O-N 2.82Å; E104-Q107 WeakPolarHBondContact O-CB 3.49Å; E104-Q107 PolarHBondContact O-N 2.93Å; E104-E108 WeakPolarHBondContact O-CG 3.12Å; E104-E108 PolarHBondContact O-N 3Å; E104-I595 HydrophobicContact CG-CD1 4.07Å
105	R	94.8	Very high	89.8	Confident	201 Å²	201	58.2 Å²	58.2	76%	0.758	28%	0.282	S	S	*	.	H	α-helix	trans	-65.2	-39.8	177.9	-174.3	-179.1	-178.9	123.9	-0.2	112.2	N103 Q107 E108 L109	N103-R105 VanDerWaalsContact C-N 3.3Å; N103-R105 PolarHBondContact O-N 2.87Å; N103-R105 WeakPolarHBondContact OD1-CA 3.41Å; N103-R105 WeakPolarHBondContact OD1-CB 3.23Å; N103-R105 PolarHBondContact OD1-N 3.41Å; N103-R105 VanDerWaalsContact OD1-N 3.08Å; R105-Q107 VanDerWaalsContact C-N 3.3Å; R105-Q107 PolarHBondContact O-N 3.12Å; R105-E108 PolarHBondContact O-N 3Å; R105-L109 WeakPolarHBondContact O-CB 3.39Å; R105-L109 PolarHBondContact O-N 2.71Å
106	D	94.9	Very high	90.9	Very high	19 Å²	19	59.9 Å²	59.9	10%	0.102	28%	0.283	C	S	.	.	H	α-helix	trans	-60.7	-42.8	173.3	-72.9	-23.8	0	0	0	110.9	I101 F102 N103 E104 L109 R110 L122 R126	I101-D106 HydrophobicContact CB-CB 4.27Å; I101-D106 HydrophobicContact CG1-CB 4.38Å; I101-D106 HydrophobicContact CG2-CB 3.86Å; F102-D106 PolarHBondContact N-OD2 2.94Å; N103-D106 PolarHBondContact O-N 2.86Å; N103-D106 PolarHBondContact OD1-N 2.98Å; E104-D106 PolarHBondContact O-N 2.82Å; D106-L109 PolarHBondContact O-N 3.27Å; D106-R110 WeakPolarHBondContact O-CB 3.2Å; D106-R110 PolarHBondContact O-N 3.13Å; D106-L122 HydrophobicContact CB-CD1 4.11Å; D106-L122 HydrophobicContact CB-CD2 3.98Å; D106-R126 IonicContact OD1-CZ 2.85Å; D106-R126 IonicContact OD1-NH2 3.94Å; D106-R126 PolarHBondContact OD1-NH2 2.91Å; D106-R126 IonicContact OD2-NH2 3.83Å; D106-R126 PolarHBondContact OD2-NH2 3.43Å
107	Q	92.4	Very high	92.1	Very high	26 Å²	26	57.4 Å²	57.4	12%	0.121	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-48.8	177.9	-175.2	69.2	54.5	0	0	110.9	I101 N103 E104 R105 L109 R110 D111	I101-Q107 HydrophobicContact CD1-CB 4.46Å; I101-Q107 HydrophobicContact CG2-CB 3.88Å; N103-Q107 PolarHBondContact O-N 3.12Å; E104-Q107 WeakPolarHBondContact O-CB 3.49Å; E104-Q107 PolarHBondContact O-N 2.93Å; R105-Q107 VanDerWaalsContact C-N 3.3Å; R105-Q107 PolarHBondContact O-N 3.12Å; Q107-L109 VanDerWaalsContact C-N 3.35Å; Q107-L109 PolarHBondContact O-N 2.9Å; Q107-R110 PolarHBondContact O-N 3.49Å; Q107-D111 VanDerWaalsContact NE2-CG 3.34Å; Q107-D111 PolarHBondContact NE2-OD1 3.43Å; Q107-D111 VanDerWaalsContact NE2-OD1 3.14Å; Q107-D111 PolarHBondContact NE2-OD2 3.22Å; Q107-D111 WeakPolarHBondContact O-CB 3.22Å; Q107-D111 VanDerWaalsContact O-CG 3.22Å; Q107-D111 PolarHBondContact O-N 2.04Å
108	E	93.5	Very high	92.7	Very high	129 Å²	129	55.6 Å²	55.6	60%	0.603	26%	0.257	S	S	*	.	H	α-helix	trans	-58.3	-45.7	176.7	-72.7	175.4	179.5	0	0	111.7	E104 R105 D111 L112	E104-E108 WeakPolarHBondContact O-CG 3.12Å; E104-E108 PolarHBondContact O-N 3Å; R105-E108 PolarHBondContact O-N 3Å; E108-D111 PolarHBondContact O-N 2.94Å; E108-L112 WeakPolarHBondContact O-CB 3.34Å; E108-L112 PolarHBondContact O-N 3.33Å
109	L	93.8	Very high	93	Very high	51 Å²	51	54.1 Å²	54.1	27%	0.267	25%	0.249	S	C	.	.	H	α-helix	trans	-63.9	-43.3	-179.4	-168.9	68.1	0	0	0	112	R105 D106 Q107 G113 M121 L122	R105-L109 WeakPolarHBondContact O-CB 3.39Å; R105-L109 PolarHBondContact O-N 2.71Å; D106-L109 PolarHBondContact O-N 3.27Å; Q107-L109 VanDerWaalsContact C-N 3.35Å; Q107-L109 PolarHBondContact O-N 2.9Å; L109-G113 PolarHBondContact O-N 2.96Å; L109-M121 HydrophobicContact CD1-CE 3.38Å; L109-M121 HydrophobicContact CG-CE 4.09Å; L109-L122 HydrophobicContact CB-CD1 4.46Å; L109-L122 HydrophobicContact CD2-CB 4.4Å; L109-L122 HydrophobicContact CD2-CD1 3.79Å
110	R	92.3	Very high	93.2	Very high	9 Å²	9	54 Å²	54	3%	0.034	25%	0.248	C	C	.	.	H	α-helix	trans	-59.4	-53.2	173.9	177.7	-164.1	171.5	-79.2	-3.2	110.8	D106 Q107 L112 G113 Y114 L122 S574 V575	D106-R110 WeakPolarHBondContact O-CB 3.2Å; D106-R110 PolarHBondContact O-N 3.13Å; Q107-R110 PolarHBondContact O-N 3.49Å; R110-L112 PolarHBondContact O-N 3.07Å; R110-G113 WeakPolarHBondContact O-CA 3.26Å; R110-G113 PolarHBondContact O-N 3.19Å; R110-G113 VanDerWaalsContact O-N 3.09Å; R110-Y114 HydrophobicContact CG-CD2 3.97Å; R110-Y114 HydrophobicContact CG-CE2 3.79Å; R110-Y114 VanDerWaalsContact CZ-CE2 3.47Å; R110-Y114 WeakPolarHBondContact O-CD2 3.32Å; R110-Y114 PolarHBondContact O-N 3.32Å; R110-Y114 VanDerWaalsContact O-N 3.07Å; R110-L122 HydrophobicContact CB-CB 4.17Å; R110-L122 HydrophobicContact CB-CD2 4.41Å; R110-S574 PolarHBondContact NE-O 3.34Å; R110-S574 PolarHBondContact NH2-O 2.87Å; R110-V575 VanDerWaalsContact CD-O 3.32Å; R110-V575 WeakPolarHBondContact CD-O 3.42Å; R110-V575 PolarHBondContact NE-O 3.46Å
111	D	91.3	Very high	93.3	Very high	57 Å²	57	54.9 Å²	54.9	31%	0.305	25%	0.252	S	S	.	.	H	α-helix	trans	-66.3	-40.3	-172.6	-68.3	-15.6	0	0	0	111	Q107 E108 G113 Y114 Q115	Q107-D111 VanDerWaalsContact NE2-CG 3.34Å; Q107-D111 PolarHBondContact NE2-OD1 3.43Å; Q107-D111 VanDerWaalsContact NE2-OD1 3.14Å; Q107-D111 PolarHBondContact NE2-OD2 3.22Å; Q107-D111 WeakPolarHBondContact O-CB 3.22Å; Q107-D111 VanDerWaalsContact O-CG 3.22Å; Q107-D111 PolarHBondContact O-N 2.04Å; E108-D111 PolarHBondContact O-N 2.94Å; D111-G113 VanDerWaalsContact C-N 3.31Å; D111-G113 PolarHBondContact O-N 3.31Å; D111-Y114 PolarHBondContact O-N 3.21Å; D111-Q115 WeakPolarHBondContact O-CB 3.38Å; D111-Q115 PolarHBondContact O-N 3.01Å
112	L	92.3	Very high	93.4	Very high	62 Å²	62	55 Å²	55	33%	0.325	25%	0.253	S	S	.	.	H	α-helix	trans	-60.3	-41	171.1	-171.4	66.6	0	0	0	111.5	E108 R110 Q115 K116 M121	E108-L112 WeakPolarHBondContact O-CB 3.34Å; E108-L112 PolarHBondContact O-N 3.33Å; R110-L112 PolarHBondContact O-N 3.07Å; L112-Q115 PolarHBondContact O-N 3.08Å; L112-K116 HydrophobicContact CD1-CD 3.91Å; L112-K116 HydrophobicContact CD1-CG 4.1Å; L112-K116 HydrophobicContact CG-CD 3.99Å; L112-K116 HydrophobicContact CG-CG 4.38Å; L112-K116 WeakPolarHBondContact O-CB 3.21Å; L112-K116 PolarHBondContact O-N 3.28Å; L112-M121 HydrophobicContact CD2-CE 4.42Å
113	G	93.8	Very high	93.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.5	-50	175.3	0	0	0	0	0	113.1	L109 R110 D111 Q115 H117 A118 F119	L109-G113 PolarHBondContact O-N 2.96Å; R110-G113 WeakPolarHBondContact O-CA 3.26Å; R110-G113 PolarHBondContact O-N 3.19Å; R110-G113 VanDerWaalsContact O-N 3.09Å; D111-G113 VanDerWaalsContact C-N 3.31Å; D111-G113 PolarHBondContact O-N 3.31Å; G113-Q115 VanDerWaalsContact C-N 3.34Å; G113-Q115 PolarHBondContact O-N 2.82Å; G113-H117 CarbonylContact O-C 3.59Å; G113-H117 WeakPolarHBondContact O-CA 3.37Å; G113-H117 PolarHBondContact O-N 3.24Å; G113-A118 PolarHBondContact O-N 2.86Å; G113-A118 VanDerWaalsContact O-N 3.11Å; G113-F119 CarbonylContact C-O 3.58Å
114	Y	91.4	Very high	93.6	Very high	29 Å²	29	47.1 Å²	47.1	11%	0.114	22%	0.215	C	C	.	.	H	α-helix	trans	-68.8	-32.7	176.4	-76.7	-76.1	0	0	0	113	R110 D111 A118 F119 N120 D280 K382 R383	R110-Y114 HydrophobicContact CG-CD2 3.97Å; R110-Y114 HydrophobicContact CG-CE2 3.79Å; R110-Y114 VanDerWaalsContact CZ-CE2 3.47Å; R110-Y114 WeakPolarHBondContact O-CD2 3.32Å; R110-Y114 PolarHBondContact O-N 3.32Å; R110-Y114 VanDerWaalsContact O-N 3.07Å; D111-Y114 PolarHBondContact O-N 3.21Å; Y114-A118 WeakPolarHBondContact O-CA 3.47Å; Y114-A118 PolarHBondContact O-N 3.07Å; Y114-F119 PolarHBondContact N-O 3.17Å; Y114-N120 HydrophobicContact CE2-CB 4.04Å; Y114-D280 WeakPolarHBondContact OH-CA 3.47Å; Y114-D280 PolarHBondContact OH-OD1 3.08Å; Y114-K382 HydrophobicContact CE1-CG 4.47Å; Y114-R383 PolarHBondContact O-NH2 2.64Å
115	Q	91	Very high	93.7	Very high	139 Å²	139	43.4 Å²	43.4	65%	0.65	20%	0.2	S	C	*	.	H	α-helix	trans	-68.6	-45.7	176.9	-171.4	-174.9	19.4	0	0	111.9	D111 L112 G113 R383	D111-Q115 WeakPolarHBondContact O-CB 3.38Å; D111-Q115 PolarHBondContact O-N 3.01Å; L112-Q115 PolarHBondContact O-N 3.08Å; G113-Q115 VanDerWaalsContact C-N 3.34Å; G113-Q115 PolarHBondContact O-N 2.82Å; Q115-R383 PolarHBondContact O-NH2 3.17Å
116	K	92.9	Very high	93.7	Very high	87 Å²	87	37.9 Å²	37.9	38%	0.378	18%	0.179	S	C	.	.	H	α-helix	trans	-86.3	-45.9	-176.5	-73.3	-174.9	171	179.4	0	113	L112 F195 P385	L112-K116 HydrophobicContact CD1-CD 3.91Å; L112-K116 HydrophobicContact CD1-CG 4.1Å; L112-K116 HydrophobicContact CG-CD 3.99Å; L112-K116 HydrophobicContact CG-CG 4.38Å; L112-K116 WeakPolarHBondContact O-CB 3.21Å; L112-K116 PolarHBondContact O-N 3.28Å; K116-F195 HydrophobicContact CB-CZ 4.27Å; K116-F195 HydrophobicContact CD-CE1 4.35Å; K116-F195 HydrophobicContact CD-CE2 4.47Å; K116-F195 HydrophobicContact CD-CZ 3.97Å; K116-F195 HydrophobicContact CG-CZ 4.22Å; K116-P385 WeakPolarHBondContact O-CB 3.38Å
117	H	94.8	Very high	93.7	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.028	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-8.3	-166.7	-48.3	-75.3	0	0	0	114.2	G113 F119 N161 A163 F195 R381	G113-H117 CarbonylContact O-C 3.59Å; G113-H117 WeakPolarHBondContact O-CA 3.37Å; G113-H117 PolarHBondContact O-N 3.24Å; H117-F119 VanDerWaalsContact C-N 3.3Å; H117-F119 HydrophobicContact CB-CD1 3.76Å; H117-F119 HydrophobicContact CB-CE1 3.46Å; H117-F119 VanDerWaalsContact CB-CE1 3.46Å; H117-F119 HydrophobicContact CB-CZ 4.18Å; H117-F119 WeakPolarHBondContact O-CD1 3.37Å; H117-F119 PolarHBondContact O-N 2.67Å; H117-N161 PolarHBondContact ND1-O 3Å; H117-A163 HydrophobicContact CB-CB 4.49Å; H117-A163 PolarHBondContact CE1-N 3.32Å; H117-A163 PolarHBondContact ND1-N 2.84Å; H117-F195 AromaticContact CE1-CD2 3.92Å; H117-F195 AromaticContact CE1-CE2 3.37Å; H117-F195 WeakPolarHBondContact CE1-CE2 3.27Å; H117-R381 VanDerWaalsContact O-CD 3.3Å; H117-R381 WeakPolarHBondContact O-CD 3.47Å; H117-R381 PolarHBondContact O-NE 3.24Å
118	A	94.1	Very high	93.8	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.017	19%	0.188	C	C	.	.	S	Bend	trans	61.9	30.3	179	0	0	0	0	0	115.1	G113 Y114 R381 K382 R383	G113-A118 PolarHBondContact O-N 2.86Å; G113-A118 VanDerWaalsContact O-N 3.11Å; Y114-A118 WeakPolarHBondContact O-CA 3.47Å; Y114-A118 PolarHBondContact O-N 3.07Å; A118-R381 HydrophobicContact CB-CB 4.19Å; A118-K382 PolarHBondContact O-N 3.03Å; A118-R383 HydrophobicContact CB-CG 3.64Å; A118-R383 WeakPolarHBondContact CB-O 3.47Å
119	F	94.6	Very high	93.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-150.8	171.6	168.1	70.5	-93.8	0	0	0	110.5	G113 Y114 H117 M121 A163 A166 A279 L282 I379 R381	G113-F119 CarbonylContact C-O 3.58Å; Y114-F119 PolarHBondContact N-O 3.17Å; H117-F119 VanDerWaalsContact C-N 3.3Å; H117-F119 HydrophobicContact CB-CD1 3.76Å; H117-F119 HydrophobicContact CB-CE1 3.46Å; H117-F119 VanDerWaalsContact CB-CE1 3.46Å; H117-F119 HydrophobicContact CB-CZ 4.18Å; H117-F119 WeakPolarHBondContact O-CD1 3.37Å; H117-F119 PolarHBondContact O-N 2.67Å; F119-M121 PolarHBondContact O-N 2.48Å; F119-M121 VanDerWaalsContact O-N 3.08Å; F119-A163 HydrophobicContact CE1-CB 4.2Å; F119-A163 HydrophobicContact CZ-CB 3.59Å; F119-A166 HydrophobicContact CZ-CB 3.81Å; F119-A279 CarbonylContact C-O 3.46Å; F119-A279 WeakPolarHBondContact CA-O 3.49Å; F119-A279 HydrophobicContact CB-CB 3.76Å; F119-A279 WeakPolarHBondContact CB-O 3.19Å; F119-L282 HydrophobicContact CD2-CD1 4.45Å; F119-I379 HydrophobicContact CB-CG2 4.04Å; F119-I379 HydrophobicContact CD1-CG2 4.33Å; F119-I379 HydrophobicContact CG-CG2 4.15Å; F119-R381 HydrophobicContact CD1-CG 4.34Å
120	N	94	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.183	C	C	.	.			trans	-76.6	91.2	-176.1	-164.9	-18.8	0	0	0	112.9	Y114 L122 I123 S124 A279 D280 L282	Y114-N120 HydrophobicContact CE2-CB 4.04Å; N120-L122 VanDerWaalsContact C-N 3.32Å; N120-L122 PolarHBondContact O-N 2.66Å; N120-L122 WeakPolarHBondContact OD1-CB 3.33Å; N120-L122 PolarHBondContact OD1-N 2.72Å; N120-I123 HydrophobicContact CB-CD1 4.3Å; N120-I123 HydrophobicContact CB-CG1 4.43Å; N120-I123 WeakPolarHBondContact ND2-CD1 3.49Å; N120-I123 PolarHBondContact O-N 2.9Å; N120-I123 PolarHBondContact OD1-N 3.18Å; N120-S124 PolarHBondContact O-N 2.83Å; N120-A279 WeakPolarHBondContact CB-O 3.41Å; N120-A279 PolarHBondContact N-O 3.17Å; N120-D280 WeakPolarHBondContact CB-O 2.99Å; N120-D280 PolarHBondContact ND2-O 3.24Å; N120-L282 HydrophobicContact CB-CD2 3.97Å
121	M	94.3	Very high	94.1	Very high	19 Å²	19	38.7 Å²	38.7	9%	0.094	19%	0.185	C	C	.	.	H	α-helix	trans	-66.5	-31.3	-179.7	-166.6	170.1	77.2	0	0	113	L109 L112 F119 I123 S124 D125 A163	L109-M121 HydrophobicContact CD1-CE 3.38Å; L109-M121 HydrophobicContact CG-CE 4.09Å; L112-M121 HydrophobicContact CD2-CE 4.42Å; F119-M121 PolarHBondContact O-N 2.48Å; F119-M121 VanDerWaalsContact O-N 3.08Å; M121-I123 VanDerWaalsContact C-N 3.32Å; M121-I123 PolarHBondContact O-N 2.83Å; M121-S124 WeakPolarHBondContact O-CB 3.2Å; M121-S124 PolarHBondContact O-N 3.31Å; M121-S124 VanDerWaalsContact O-N 3.11Å; M121-D125 VanDerWaalsContact O-CG 3.3Å; M121-D125 PolarHBondContact O-N 3.27Å; M121-A163 HydrophobicContact SD-CB 4.39Å
122	L	94.9	Very high	94.2	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-55.8	-47.2	175.5	174.6	67.2	0	0	0	111.7	I101 D106 L109 R110 N120 R126	I101-L122 HydrophobicContact CG1-CD2 4.05Å; D106-L122 HydrophobicContact CB-CD1 4.11Å; D106-L122 HydrophobicContact CB-CD2 3.98Å; L109-L122 HydrophobicContact CB-CD1 4.46Å; L109-L122 HydrophobicContact CD2-CB 4.4Å; L109-L122 HydrophobicContact CD2-CD1 3.79Å; R110-L122 HydrophobicContact CB-CB 4.17Å; R110-L122 HydrophobicContact CB-CD2 4.41Å; N120-L122 VanDerWaalsContact C-N 3.32Å; N120-L122 PolarHBondContact O-N 2.66Å; N120-L122 WeakPolarHBondContact OD1-CB 3.33Å; N120-L122 PolarHBondContact OD1-N 2.72Å; L122-R126 VanDerWaalsContact O-CG 3.3Å; L122-R126 WeakPolarHBondContact O-CG 3.35Å; L122-R126 PolarHBondContact O-N 2.71Å
123	I	95	Very high	94.3	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-67.2	-43	177	-64	178.8	0	0	0	110.4	L98 N120 M121 D125 R126 L127 D280 L282	L98-I123 HydrophobicContact CB-CG2 4.42Å; N120-I123 HydrophobicContact CB-CD1 4.3Å; N120-I123 HydrophobicContact CB-CG1 4.43Å; N120-I123 WeakPolarHBondContact ND2-CD1 3.49Å; N120-I123 PolarHBondContact O-N 2.9Å; N120-I123 PolarHBondContact OD1-N 3.18Å; M121-I123 VanDerWaalsContact C-N 3.32Å; M121-I123 PolarHBondContact O-N 2.83Å; I123-D125 VanDerWaalsContact C-N 3.33Å; I123-D125 PolarHBondContact O-N 2.83Å; I123-R126 PolarHBondContact O-N 3.17Å; I123-L127 HydrophobicContact CG2-CD1 3.71Å; I123-L127 HydrophobicContact CG2-CG 4.09Å; I123-L127 WeakPolarHBondContact O-CB 3.04Å; I123-L127 VanDerWaalsContact O-CG 3.26Å; I123-L127 WeakPolarHBondContact O-CG 3.31Å; I123-L127 PolarHBondContact O-N 3.36Å; I123-D280 VanDerWaalsContact CD1-O 3.26Å; I123-D280 WeakPolarHBondContact CD1-O 3.31Å; I123-L282 HydrophobicContact CB-CD2 4Å; I123-L282 HydrophobicContact CB-CG 4.38Å; I123-L282 HydrophobicContact CG2-CB 3.83Å; I123-L282 HydrophobicContact CG2-CD2 4.07Å; I123-L282 HydrophobicContact CG2-CG 4Å
124	S	96.3	Very high	94.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.5	-49.3	177.9	-172	0	0	0	0	111.1	N120 M121 R126 L127 S165 R169	N120-S124 PolarHBondContact O-N 2.83Å; M121-S124 WeakPolarHBondContact O-CB 3.2Å; M121-S124 PolarHBondContact O-N 3.31Å; M121-S124 VanDerWaalsContact O-N 3.11Å; S124-R126 VanDerWaalsContact C-N 3.34Å; S124-R126 PolarHBondContact O-N 3.08Å; S124-L127 PolarHBondContact O-N 3.03Å; S124-S165 WeakPolarHBondContact CB-OG 3.02Å; S124-S165 PolarHBondContact OG-OG 3.48Å; S124-R169 PolarHBondContact O-NH2 2.7Å; S124-R169 PolarHBondContact OG-NH1 2.86Å; S124-R169 PolarHBondContact OG-NH2 3.43Å
125	D	95.2	Very high	94.6	Very high	68 Å²	68	44.2 Å²	44.2	36%	0.364	22%	0.222	S	C	.	.	H	α-helix	trans	-65.7	-39.5	-177.4	-63.5	-8.8	0	0	0	111.5	M121 I123 L127 G128 S165	M121-D125 VanDerWaalsContact O-CG 3.3Å; M121-D125 PolarHBondContact O-N 3.27Å; I123-D125 VanDerWaalsContact C-N 3.33Å; I123-D125 PolarHBondContact O-N 2.83Å; D125-L127 VanDerWaalsContact C-N 3.35Å; D125-L127 PolarHBondContact O-N 3.42Å; D125-G128 PolarHBondContact O-N 2.86Å; D125-S165 WeakPolarHBondContact OD1-CB 3.36Å; D125-S165 PolarHBondContact OD1-OG 3.25Å
126	R	95.3	Very high	94.9	Very high	85 Å²	85	38.6 Å²	38.6	32%	0.321	20%	0.197	S	C	.	.	H	α-helix	trans	-67.6	-30	177	-72.3	173.4	176.9	-176.7	-1.6	114.1	L98 M100 D106 L122 I123 S124 G128	L98-R126 HydrophobicContact CD2-CB 3.97Å; L98-R126 WeakPolarHBondContact O-CD 3.1Å; L98-R126 PolarHBondContact O-NH1 3.26Å; M100-R126 PolarHBondContact O-NH1 3.43Å; M100-R126 PolarHBondContact O-NH2 3.18Å; D106-R126 IonicContact OD1-CZ 2.85Å; D106-R126 IonicContact OD1-NH2 3.94Å; D106-R126 PolarHBondContact OD1-NH2 2.91Å; D106-R126 IonicContact OD2-NH2 3.83Å; D106-R126 PolarHBondContact OD2-NH2 3.43Å; L122-R126 VanDerWaalsContact O-CG 3.3Å; L122-R126 WeakPolarHBondContact O-CG 3.35Å; L122-R126 PolarHBondContact O-N 2.71Å; I123-R126 PolarHBondContact O-N 3.17Å; S124-R126 VanDerWaalsContact C-N 3.34Å; S124-R126 PolarHBondContact O-N 3.08Å; R126-G128 PolarHBondContact O-N 3.36Å
127	L	94	Very high	94.9	Very high	27 Å²	27	35.6 Å²	35.6	14%	0.141	18%	0.183	C	C	.	.	H	α-helix	trans	-71.2	-20.3	177.2	-77.6	168.7	0	0	0	113.1	F94 L98 I123 S124 D125 L282	F94-L127 HydrophobicContact CD2-CD2 4.27Å; F94-L127 HydrophobicContact CE2-CD1 4.34Å; F94-L127 HydrophobicContact CE2-CD2 3.8Å; L98-L127 HydrophobicContact CD1-CD2 3.83Å; L98-L127 HydrophobicContact CD2-CD2 4.49Å; I123-L127 HydrophobicContact CG2-CD1 3.71Å; I123-L127 HydrophobicContact CG2-CG 4.09Å; I123-L127 WeakPolarHBondContact O-CB 3.04Å; I123-L127 VanDerWaalsContact O-CG 3.26Å; I123-L127 WeakPolarHBondContact O-CG 3.31Å; I123-L127 PolarHBondContact O-N 3.36Å; S124-L127 PolarHBondContact O-N 3.03Å; D125-L127 VanDerWaalsContact C-N 3.35Å; D125-L127 PolarHBondContact O-N 3.42Å; L127-L282 HydrophobicContact CD1-CB 3.74Å; L127-L282 HydrophobicContact CD1-CG 4.29Å
128	G	94.3	Very high	94.8	Very high	26 Å²	26	38.6 Å²	38.6	27%	0.268	20%	0.199	S	C	.	.			trans	65.4	-160.8	-171.5	0	0	0	0	0	112.7	D125 R126 R169	D125-G128 PolarHBondContact O-N 2.86Å; R126-G128 PolarHBondContact O-N 3.36Å; G128-R169 PolarHBondContact O-NE 3.37Å; G128-R169 PolarHBondContact O-NH2 3.14Å
129	Y	96	Very high	94.8	Very high	64 Å²	64	41.9 Å²	41.9	25%	0.251	23%	0.227	S	C	.	.	S	Bend	trans	-103.4	-21.2	-174	-44.4	-36.3	0	0	0	113.7	L168 Y205	Y129-L168 HydrophobicContact CD1-CB 3.9Å; Y129-L168 HydrophobicContact CD2-CB 4.18Å; Y129-L168 HydrophobicContact CD2-CD1 4.15Å; Y129-L168 HydrophobicContact CE1-CB 4.11Å; Y129-L168 HydrophobicContact CE1-CD1 4.25Å; Y129-L168 HydrophobicContact CE2-CB 4.33Å; Y129-L168 HydrophobicContact CE2-CD1 3.59Å; Y129-L168 HydrophobicContact CG-CB 3.97Å; Y129-Y205 WeakPolarHBondContact CD2-OH 3.02Å; Y129-Y205 AromaticContact CE2-CE2 3.97Å; Y129-Y205 HydrophobicContact CE2-CE2 3.97Å; Y129-Y205 AromaticContact CE2-CZ 3.94Å
130	H	95.9	Very high	94.6	Very high	111 Å²	111	44.2 Å²	44.2	51%	0.514	25%	0.246	S	C	.	.			trans	-115.8	61.1	-173.2	-59	-81.5	0	0	0	111.9	H172 D176	H130-H172 AromaticContact CE1-CE1 3.45Å; H130-H172 PolarHBondContact CE1-CE1 3.11Å; H130-H172 VanDerWaalsContact CE1-CE1 3.45Å; H130-H172 AromaticContact CE1-CG 3.4Å; H130-H172 VanDerWaalsContact CE1-CG 3.4Å; H130-H172 AromaticContact CE1-ND1 3.01Å; H130-H172 PolarHBondContact CE1-ND1 2.94Å; H130-H172 AromaticContact ND1-CG 3.99Å; H130-H172 AromaticContact ND1-ND1 3.92Å; H130-H172 AromaticContact NE2-CE1 3.5Å; H130-H172 AromaticContact NE2-CG 3.8Å; H130-H172 AromaticContact NE2-ND1 3.53Å; H130-H172 AromaticContact NE2-NE2 3.85Å; H130-D176 IonicContact CE1-OD1 2.72Å; H130-D176 IonicContact CE1-OD2 3.64Å; H130-D176 IonicContact CG-OD2 2.88Å; H130-D176 IonicContact ND1-OD1 3.4Å; H130-D176 IonicContact ND1-OD2 2.75Å; H130-D176 PolarHBondContact ND1-OD2 3.14Å
131	R	94.1	Very high	94.7	Very high	23 Å²	23	44.2 Å²	44.2	9%	0.087	25%	0.246	C	C	.	.			trans	-92.6	149.7	175.9	74.3	175.7	-175.6	159.3	1.8	111.8	F94 R177 E249 L282	F94-R131 VanDerWaalsContact CE2-NH1 3.32Å; R131-R177 PolarHBondContact O-NH2 3.33Å; R131-E249 IonicContact CZ-OE1 3.67Å; R131-E249 VanDerWaalsContact CZ-OE1 3.25Å; R131-E249 IonicContact CZ-OE2 2.8Å; R131-E249 VanDerWaalsContact NE-CD 3.34Å; R131-E249 IonicContact NE-OE1 3.79Å; R131-E249 PolarHBondContact NE-OE1 2.82Å; R131-E249 IonicContact NE-OE2 3.72Å; R131-E249 PolarHBondContact NE-OE2 2.9Å; R131-E249 VanDerWaalsContact NH2-CD 3.34Å; R131-E249 IonicContact NH2-OE1 2.78Å; R131-E249 PolarHBondContact NH2-OE1 3.38Å; R131-E249 IonicContact NH2-OE2 2.82Å; R131-E249 PolarHBondContact NH2-OE2 2.87Å; R131-L282 VanDerWaalsContact CZ-O 3.31Å; R131-L282 PolarHBondContact NH1-O 2.8Å; R131-L282 PolarHBondContact NH2-O 2.66Å
132	D	93.8	Very high	94.6	Very high	115 Å²	115	49 Å²	49	62%	0.615	27%	0.266	S	S	*	.			trans	-70.1	148.3	165.5	-72.9	-33.6	0	0	0	111.5	H91	H91-D132 IonicContact CE1-OD2 2.77Å; H91-D132 IonicContact ND1-OD2 3.61Å; H91-D132 PolarHBondContact ND1-OD2 2.86Å
133	V	95.5	Very high	94.4	Very high	23 Å²	23	55.7 Å²	55.7	14%	0.139	30%	0.298	C	S	.	.			trans	-126.8	144.7	172.6	-62.3	0	0	0	0	109.2	E249 Y284	V133-E249 HydrophobicContact CG1-CB 4.39Å; V133-E249 WeakPolarHBondContact CG1-OE2 3.44Å; V133-Y284 HydrophobicContact CB-CD2 3.97Å; V133-Y284 HydrophobicContact CB-CE2 4.26Å; V133-Y284 HydrophobicContact CB-CG 4.24Å; V133-Y284 HydrophobicContact CG1-CD2 3.8Å; V133-Y284 HydrophobicContact CG1-CE2 4.28Å; V133-Y284 HydrophobicContact CG1-CG 4.38Å; V133-Y284 HydrophobicContact CG2-CE2 4.49Å
134	P	95.4	Very high	94.3	Very high	71 Å²	71	58.2 Å²	58.2	46%	0.461	31%	0.308	S	S	.	.			trans	-64.3	142	178	27.3	-34.2	0	0	0	111.1	T136 N251 Y284	P134-T136 HydrophobicContact CG-CG2 4.25Å; P134-T136 PolarHBondContact O-N 2.61Å; P134-N251 PolarHBondContact O-ND2 2.62Å; P134-Y284 HydrophobicContact CG-CD1 4Å; P134-Y284 HydrophobicContact CG-CG 4.46Å
135	D	96.4	Very high	94.2	Very high	55 Å²	55	67.4 Å²	67.4	29%	0.294	35%	0.349	S	S	.	.			trans	-72.5	98.9	169.7	-175	0.2	0	0	0	109.7	R137 K142 V252	D135-R137 VanDerWaalsContact C-N 3.32Å; D135-R137 VanDerWaalsContact OD1-CB 3.27Å; D135-R137 WeakPolarHBondContact OD1-CB 3.33Å; D135-R137 VanDerWaalsContact OD1-CG 3.31Å; D135-R137 WeakPolarHBondContact OD1-CG 3.47Å; D135-R137 IonicContact OD1-CZ 3.96Å; D135-R137 PolarHBondContact OD1-N 2.85Å; D135-R137 VanDerWaalsContact OD1-N 3.13Å; D135-R137 IonicContact OD1-NE 3.21Å; D135-R137 PolarHBondContact OD1-NE 3.37Å; D135-R137 IonicContact OD1-NH2 3.59Å; D135-R137 IonicContact OD2-CZ 2.72Å; D135-R137 IonicContact OD2-NE 2.71Å; D135-R137 PolarHBondContact OD2-NE 3.01Å; D135-R137 IonicContact OD2-NH2 3.72Å; D135-R137 PolarHBondContact OD2-NH2 2.98Å; D135-K142 WeakPolarHBondContact OD2-CE 3.42Å; D135-K142 IonicContact OD2-NZ 3.27Å; D135-V252 HydrophobicContact CB-CG1 4.09Å
136	T	95.7	Very high	94.2	Very high	21 Å²	21	66.7 Å²	66.7	13%	0.129	34%	0.341	C	S	.	.			trans	-89.5	3.9	-177.4	52.4	0	0	0	0	113.3	P134 N251 D275 Y284 S286	P134-T136 HydrophobicContact CG-CG2 4.25Å; P134-T136 PolarHBondContact O-N 2.61Å; T136-N251 PolarHBondContact OG1-ND2 3.18Å; T136-D275 VanDerWaalsContact CB-OD2 3.27Å; T136-D275 WeakPolarHBondContact CB-OD2 3.48Å; T136-D275 PolarHBondContact OG1-OD2 2.74Å; T136-Y284 HydrophobicContact CG2-CD1 3.84Å; T136-Y284 HydrophobicContact CG2-CE1 3.57Å; T136-S286 PolarHBondContact O-OG 3.44Å
137	R	94.4	Very high	94.1	Very high	25 Å²	25	65.5 Å²	65.5	9%	0.094	35%	0.345	C	S	.	.	S	Bend	trans	-70.3	158	178.4	-59.8	173.6	-59.8	155.7	3.6	110.2	D135 C141 V252 C373 R375	D135-R137 VanDerWaalsContact C-N 3.32Å; D135-R137 VanDerWaalsContact OD1-CB 3.27Å; D135-R137 WeakPolarHBondContact OD1-CB 3.33Å; D135-R137 VanDerWaalsContact OD1-CG 3.31Å; D135-R137 WeakPolarHBondContact OD1-CG 3.47Å; D135-R137 IonicContact OD1-CZ 3.96Å; D135-R137 PolarHBondContact OD1-N 2.85Å; D135-R137 VanDerWaalsContact OD1-N 3.13Å; D135-R137 IonicContact OD1-NE 3.21Å; D135-R137 PolarHBondContact OD1-NE 3.37Å; D135-R137 IonicContact OD1-NH2 3.59Å; D135-R137 IonicContact OD2-CZ 2.72Å; D135-R137 IonicContact OD2-NE 2.71Å; D135-R137 PolarHBondContact OD2-NE 3.01Å; D135-R137 IonicContact OD2-NH2 3.72Å; D135-R137 PolarHBondContact OD2-NH2 2.98Å; R137-C141 HydrophobicContact CB-CB 4.05Å; R137-V252 PolarHBondContact NE-O 3.46Å; R137-C373 WeakPolarHBondContact CD-O 3.38Å; R137-R375 HydrophobicContact CG-CB 4.32Å; R137-R375 HydrophobicContact CG-CG 3.59Å
138	N	91.8	Very high	94	Very high	68 Å²	68	69.7 Å²	69.7	36%	0.364	37%	0.373	S	S	.	.			trans	-61.3	140.8	168	-172.5	-68.3	0	0	0	109.3	A140 C141	N138-A140 PolarHBondContact O-N 3.44Å; N138-A140 VanDerWaalsContact O-N 3.13Å; N138-A140 WeakPolarHBondContact OD1-CB 3.35Å; N138-A140 PolarHBondContact OD1-N 2.89Å; N138-C141 WeakPolarHBondContact O-CB 3.29Å; N138-C141 PolarHBondContact O-N 3.25Å
139	A	93.1	Very high	94	Very high	72 Å²	72	73 Å²	73	60%	0.595	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-52.9	-36.6	179.5	0	0	0	0	0	112.9	C141 K142	A139-C141 PolarHBondContact O-N 2.8Å; A139-K142 WeakPolarHBondContact O-CB 3.28Å; A139-K142 PolarHBondContact O-N 2.93Å; A139-K142 VanDerWaalsContact O-N 3.07Å
140	A	92.3	Very high	94.1	Very high	48 Å²	48	71 Å²	71	40%	0.397	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-64.6	-19.2	177.2	0	0	0	0	0	114	N138 K142 E143 T317	N138-A140 PolarHBondContact O-N 3.44Å; N138-A140 VanDerWaalsContact O-N 3.13Å; N138-A140 WeakPolarHBondContact OD1-CB 3.35Å; N138-A140 PolarHBondContact OD1-N 2.89Å; A140-K142 PolarHBondContact O-N 2.91Å; A140-E143 PolarHBondContact O-N 3.42Å; A140-T317 HydrophobicContact CB-CG2 3.69Å
141	C	94.7	Very high	94.2	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-69.1	-22	173.8	-67.1	0	0	0	0	113	R137 N138 A139 E143 K144 C373	R137-C141 HydrophobicContact CB-CB 4.05Å; N138-C141 WeakPolarHBondContact O-CB 3.29Å; N138-C141 PolarHBondContact O-N 3.25Å; A139-C141 PolarHBondContact O-N 2.8Å; C141-E143 VanDerWaalsContact C-N 3.27Å; C141-K144 PolarHBondContact O-N 3.28Å; C141-C373 VanDerWaalsContact CA-SG 3.6Å; C141-C373 HydrophobicContact CB-CB 3.63Å; C141-C373 WeakPolarHBondContact CB-SG 3.49Å; C141-C373 WeakPolarHBondContact SG-CA 3.27Å; C141-C373 WeakPolarHBondContact SG-CB 3.39Å; C141-C373 CovalentContact SG-SG 2.04Å; C141-C373 PolarHBondContact SG-SG 3.2Å
142	K	92.9	Very high	94.5	Very high	121 Å²	121	66.4 Å²	66.4	53%	0.526	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-70.5	-27.2	177.5	-62.7	-178.5	175.2	-175.9	0	112.2	D135 A139 A140	D135-K142 WeakPolarHBondContact OD2-CE 3.42Å; D135-K142 IonicContact OD2-NZ 3.27Å; A139-K142 WeakPolarHBondContact O-CB 3.28Å; A139-K142 PolarHBondContact O-N 2.93Å; A139-K142 VanDerWaalsContact O-N 3.07Å; A140-K142 PolarHBondContact O-N 2.91Å
143	E	91.3	Very high	94.7	Very high	143 Å²	143	60.9 Å²	60.9	67%	0.668	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-88.9	-3.8	-179.9	-52.3	-55.4	139.3	0	0	112.9	A140 C141 F145	A140-E143 PolarHBondContact O-N 3.42Å; C141-E143 VanDerWaalsContact C-N 3.27Å; E143-F145 WeakPolarHBondContact O-CD2 3.34Å
144	K	92.5	Very high	94.8	Very high	56 Å²	56	59.8 Å²	59.8	24%	0.243	33%	0.328	C	S	.	.			trans	-77.7	127.3	178.8	-80.2	-158.9	164	-174.2	0	110.7	C141 Y146 E314 T317	C141-K144 PolarHBondContact O-N 3.28Å; K144-Y146 HydrophobicContact CB-CE2 4.07Å; K144-E314 IonicContact NZ-OE2 2.92Å; K144-E314 PolarHBondContact NZ-OE2 2.92Å; K144-T317 WeakPolarHBondContact CE-OG1 3.47Å; K144-T317 PolarHBondContact NZ-O 3.13Å; K144-T317 PolarHBondContact NZ-OG1 2.84Å
145	F	93.5	Very high	95	Very high	194 Å²	194	56.4 Å²	56.4	85%	0.851	31%	0.306	S	S	*	.			trans	-92.8	136.8	171.2	-65.6	-87.2	0	0	0	110.4	E143	E143-F145 WeakPolarHBondContact O-CD2 3.34Å
146	Y	95	Very high	95.1	Very high	53 Å²	53	53.9 Å²	53.9	21%	0.208	29%	0.292	C	S	.	.			trans	-115.1	145.5	173.8	-57.4	-79.7	0	0	0	109.2	K144 M253 Q256 P257 A260	K144-Y146 HydrophobicContact CB-CE2 4.07Å; Y146-M253 HydrophobicContact CD2-SD 4.06Å; Y146-M253 HydrophobicContact CE2-CG 4.36Å; Y146-M253 HydrophobicContact CE2-SD 3.64Å; Y146-Q256 HydrophobicContact CD2-CB 4.09Å; Y146-Q256 HydrophobicContact CG-CB 4.11Å; Y146-P257 HydrophobicContact CE1-CB 3.85Å; Y146-P257 HydrophobicContact CE1-CG 4.08Å; Y146-P257 HydrophobicContact CE2-CG 4.14Å; Y146-P257 WeakPolarHBondContact OH-CG 3.32Å; Y146-A260 HydrophobicContact CD1-CB 3.76Å; Y146-A260 HydrophobicContact CE1-CB 4.43Å
147	P	93.6	Very high	95.3	Very high	60 Å²	60	52.9 Å²	52.9	39%	0.39	29%	0.286	S	S	.	.			trans	-57.5	151.3	177.1	-25.4	34.9	0	0	0	112.4	L150	P147-L150 WeakPolarHBondContact O-CG 3.07Å
148	P	91.6	Very high	95.4	Very high	114 Å²	114	52.2 Å²	52.2	74%	0.74	29%	0.285	S	S	*	.	S	Bend	trans	-75.1	-29.1	-179.8	28.8	-33.6	0	0	0	113.4	L150	P148-L150 VanDerWaalsContact C-N 3.33Å; P148-L150 PolarHBondContact O-N 3.19Å
149	D	95.3	Very high	95.7	Very high	97 Å²	97	49.2 Å²	49.2	52%	0.519	27%	0.269	S	S	.	.			trans	-92.3	57.2	-176.6	58.2	-37.5	0	0	0	111.5	R263	D149-R263 VanDerWaalsContact CG-CZ 3.4Å; D149-R263 PolarHBondContact O-NH1 2.86Å; D149-R263 VanDerWaalsContact O-NH1 3.15Å; D149-R263 IonicContact OD1-CZ 3.51Å; D149-R263 VanDerWaalsContact OD1-CZ 3.27Å; D149-R263 IonicContact OD1-NH1 3.12Å; D149-R263 PolarHBondContact OD1-NH1 3.17Å; D149-R263 IonicContact OD1-NH2 3.21Å; D149-R263 PolarHBondContact OD1-NH2 3.39Å; D149-R263 IonicContact OD2-CZ 3.17Å; D149-R263 IonicContact OD2-NH1 2.71Å; D149-R263 PolarHBondContact OD2-NH1 3.08Å; D149-R263 IonicContact OD2-NH2 2.64Å; D149-R263 PolarHBondContact OD2-NH2 3.33Å
150	L	98.1	Very high	95.9	Very high	20 Å²	20	47.9 Å²	47.9	11%	0.105	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-79.9	147.3	173	-66.7	172.7	0	0	0	111.5	P147 P148 L182 Q256 L259 A260	P147-L150 WeakPolarHBondContact O-CG 3.07Å; P148-L150 VanDerWaalsContact C-N 3.33Å; P148-L150 PolarHBondContact O-N 3.19Å; L150-L182 HydrophobicContact CB-CD2 3.69Å; L150-L182 HydrophobicContact CD1-CD1 4.32Å; L150-Q256 HydrophobicContact CD1-CB 3.86Å; L150-Q256 HydrophobicContact CD1-CG 4.05Å; L150-L259 HydrophobicContact CB-CB 4.19Å; L150-L259 HydrophobicContact CB-CD1 4.27Å; L150-L259 HydrophobicContact CD1-CB 4.3Å; L150-L259 HydrophobicContact CD2-CB 4.19Å; L150-L259 HydrophobicContact CG-CB 4.46Å; L150-A260 HydrophobicContact CD2-CB 3.98Å
151	P	98.3	Very high	96.1	Very high	11 Å²	11	46.6 Å²	46.6	7%	0.071	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-67	143.3	178.7	28.6	-36.2	0	0	0	111.8	E239 V240 L259 R263	P151-E239 HydrophobicContact CB-CB 4.09Å; P151-E239 HydrophobicContact CB-CG 4.1Å; P151-E239 VanDerWaalsContact CB-OE2 3.28Å; P151-E239 WeakPolarHBondContact CB-OE2 3.42Å; P151-V240 HydrophobicContact CB-CG2 4.02Å; P151-V240 HydrophobicContact CG-CG2 3.78Å; P151-L259 HydrophobicContact CG-CB 4.33Å; P151-L259 HydrophobicContact CG-CD2 4.41Å; P151-L259 VanDerWaalsContact O-CD1 3.29Å; P151-L259 WeakPolarHBondContact O-CD1 3.31Å; P151-R263 HydrophobicContact CG-CB 4.46Å
152	A	98.3	Very high	96.3	Very high	27 Å²	27	46.7 Å²	46.7	22%	0.223	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-75.1	144.2	177.5	0	0	0	0	0	111.7	L182 H184 E239 V240	A152-L182 WeakPolarHBondContact CA-O 3.47Å; A152-H184 HydrophobicContact CB-CB 4.07Å; A152-E239 PolarHBondContact O-N 2.68Å; A152-V240 PolarHBondContact O-N 2.89Å; A152-V240 VanDerWaalsContact O-N 3.14Å
153	A	98.7	Very high	96.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.5	-172.8	0	0	0	0	0	112.9	L182 H184 V240 V242 L255 L259	A153-L182 PolarHBondContact N-O 3.27Å; A153-H184 VanDerWaalsContact O-CB 3.32Å; A153-H184 WeakPolarHBondContact O-CB 3.45Å; A153-H184 PolarHBondContact O-N 2.94Å; A153-V240 CarbonylContact C-O 3.5Å; A153-V240 VanDerWaalsContact CA-O 3.3Å; A153-V240 WeakPolarHBondContact CA-O 3.37Å; A153-V240 HydrophobicContact CB-CB 4.32Å; A153-V242 HydrophobicContact CB-CG2 3.8Å; A153-L255 HydrophobicContact CB-CD1 4.41Å; A153-L255 HydrophobicContact CB-CD2 4.22Å; A153-L259 HydrophobicContact CB-CD2 4.16Å
154	S	98.9	Very high	96.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	118.7	162.9	-62.2	0	0	0	0	108.9	E185 G238 V240 V242	S154-E185 WeakPolarHBondContact CA-O 3.17Å; S154-E185 VanDerWaalsContact OG-CG 3.31Å; S154-E185 WeakPolarHBondContact OG-CG 3.48Å; S154-E185 PolarHBondContact OG-OE1 2.94Å; S154-G238 VanDerWaalsContact OG-CA 3.32Å; S154-G238 WeakPolarHBondContact OG-CA 3.31Å; S154-G238 PolarHBondContact OG-N 3.47Å; S154-V240 PolarHBondContact N-O 3.47Å; S154-V242 PolarHBondContact O-N 3.43Å
155	V	98.9	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	119.8	177.4	-177	0	0	0	0	109.1	I157 V174 L183 E185 I186 I187 V242 L244	V155-I157 HydrophobicContact CG1-CD1 4.36Å; V155-I157 HydrophobicContact CG1-CG1 4.16Å; V155-V174 HydrophobicContact CG1-CG1 4.5Å; V155-V174 HydrophobicContact CG1-CG2 4.47Å; V155-V174 HydrophobicContact CG2-CG1 4.04Å; V155-L183 HydrophobicContact CG2-CD1 3.74Å; V155-E185 PolarHBondContact N-O 2.96Å; V155-I186 HydrophobicContact CB-CG1 4.37Å; V155-I186 CarbonylContact O-C 3.57Å; V155-I186 WeakPolarHBondContact O-CA 3.32Å; V155-I187 PolarHBondContact O-N 2.92Å; V155-V242 CarbonylContact C-O 3.59Å; V155-V242 VanDerWaalsContact CA-O 3.3Å; V155-V242 WeakPolarHBondContact CA-O 3.35Å; V155-V242 HydrophobicContact CG2-CB 4.24Å; V155-L244 HydrophobicContact CG1-CD1 3.8Å; V155-L244 HydrophobicContact CG1-CG 4.16Å
156	V	98.8	Very high	97.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.4	-179.6	-179.1	0	0	0	0	109.2	I187 V189 V242 F243 L244	V156-I187 WeakPolarHBondContact CA-O 3.49Å; V156-I187 HydrophobicContact CG2-CB 4.46Å; V156-V189 HydrophobicContact CG1-CG2 4.22Å; V156-V242 PolarHBondContact N-O 3.01Å; V156-F243 HydrophobicContact CB-CD1 3.79Å; V156-F243 HydrophobicContact CB-CE1 3.94Å; V156-F243 HydrophobicContact CG1-CD1 3.99Å; V156-F243 HydrophobicContact CG1-CE1 3.97Å; V156-F243 HydrophobicContact CG2-CE1 4.3Å; V156-F243 WeakPolarHBondContact O-CA 3.43Å; V156-L244 PolarHBondContact O-N 3.13Å; V156-L244 VanDerWaalsContact O-N 3.08Å
157	I	98.8	Very high	97.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	107.5	178.9	-58.8	167.5	0	0	0	108.1	V155 L167 T170 V171 I186 I187 L188 V189 L244	V155-I157 HydrophobicContact CG1-CD1 4.36Å; V155-I157 HydrophobicContact CG1-CG1 4.16Å; I157-L167 HydrophobicContact CG2-CD1 4.22Å; I157-T170 HydrophobicContact CD1-CG2 3.98Å; I157-V171 HydrophobicContact CD1-CG2 4.25Å; I157-I186 HydrophobicContact CD1-CG2 3.94Å; I157-I187 PolarHBondContact N-O 3.04Å; I157-L188 HydrophobicContact CB-CD2 3.84Å; I157-L188 HydrophobicContact CD1-CD2 3.95Å; I157-L188 HydrophobicContact CG1-CD2 4.39Å; I157-L188 HydrophobicContact CG2-CD2 4.34Å; I157-L188 CarbonylContact O-C 3.49Å; I157-L188 WeakPolarHBondContact O-CA 3.25Å; I157-V189 PolarHBondContact O-N 2.98Å; I157-L244 HydrophobicContact CG1-CB 4.18Å
158	C	98	Very high	97.6	Very high	12 Å²	12	18.2 Å²	18.2	8%	0.081	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.4	172.9	-58.2	0	0	0	0	109.7	V189 L225 R229	C158-V189 WeakPolarHBondContact CA-O 3.44Å; C158-L225 HydrophobicContact CB-CD1 4.11Å; C158-R229 VanDerWaalsContact SG-CG 3.6Å; C158-R229 PolarHBondContact SG-N 2.81Å; C158-R229 VanDerWaalsContact SG-N 3.39Å
159	F	97.9	Very high	97.9	Very high	5 Å²	5	13 Å²	13	2%	0.022	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	150	178.9	67.9	-83.6	0	0	0	111.8	E162 L167 L188 V189 D190 D191 L198 L202	F159-E162 HydrophobicContact CB-CB 4.11Å; F159-L167 HydrophobicContact CB-CD1 4.38Å; F159-L167 HydrophobicContact CD1-CD1 4.29Å; F159-L167 HydrophobicContact CD1-CD2 4.42Å; F159-L167 HydrophobicContact CD2-CD2 4.17Å; F159-L167 HydrophobicContact CE1-CD2 4.49Å; F159-L167 HydrophobicContact CE2-CD2 4.22Å; F159-L167 HydrophobicContact CG-CD1 4.32Å; F159-L167 HydrophobicContact CG-CD2 4.26Å; F159-L167 HydrophobicContact CZ-CD2 4.35Å; F159-L188 HydrophobicContact CD1-CB 4.45Å; F159-L188 HydrophobicContact CE1-CB 3.85Å; F159-V189 WeakPolarHBondContact CD1-O 3.18Å; F159-V189 PolarHBondContact N-O 3.36Å; F159-D190 HydrophobicContact CE1-CB 3.9Å; F159-D190 HydrophobicContact CE2-CB 3.81Å; F159-D190 HydrophobicContact CZ-CB 3.42Å; F159-D190 VanDerWaalsContact CZ-CB 3.42Å; F159-D191 PolarHBondContact O-N 2.61Å; F159-L198 HydrophobicContact CD2-CD1 4.23Å; F159-L198 HydrophobicContact CD2-CD2 4.39Å; F159-L198 HydrophobicContact CE2-CB 4.28Å; F159-L198 HydrophobicContact CE2-CD1 4.29Å; F159-L198 HydrophobicContact CE2-CD2 4.18Å; F159-L202 HydrophobicContact CE1-CD2 4.47Å; F159-L202 HydrophobicContact CE2-CD2 4.22Å; F159-L202 HydrophobicContact CZ-CD2 3.7Å
160	Y	96.9	Very high	98.1	Very high	44 Å²	44	8.4 Å²	8.4	17%	0.173	5%	0.046	C	C	.	.	S	Bend	trans	-145	116	171.5	171.3	-109.7	0	0	0	107.7	E162 D191 D192 S193 D194 Y386	Y160-E162 PolarHBondContact O-N 3.03Å; Y160-D191 VanDerWaalsContact CD2-O 3.31Å; Y160-D191 WeakPolarHBondContact CD2-O 3.43Å; Y160-D192 WeakPolarHBondContact CE2-O 3.14Å; Y160-S193 WeakPolarHBondContact CA-OG 3.38Å; Y160-D194 PolarHBondContact OH-OD2 2.85Å; Y160-Y386 HydrophobicContact CD1-CD1 4.21Å; Y160-Y386 HydrophobicContact CD1-CG 4.19Å
161	N	96.8	Very high	98.1	Very high	21 Å²	21	7.5 Å²	7.5	11%	0.112	4%	0.041	C	C	.	.	S	Bend	trans	52.2	37.9	179.4	-73.2	-17.2	0	0	0	113.2	H117 S193 D194 F195	H117-N161 PolarHBondContact ND1-O 3Å; N161-S193 PolarHBondContact N-OG 2.96Å; N161-D194 PolarHBondContact ND2-OD2 2.78Å; N161-D194 PolarHBondContact OD1-N 2.96Å; N161-F195 HydrophobicContact CB-CD2 3.8Å; N161-F195 HydrophobicContact CB-CE2 3.49Å; N161-F195 VanDerWaalsContact CB-CE2 3.49Å; N161-F195 HydrophobicContact CB-CG 4.47Å; N161-F195 HydrophobicContact CB-CZ 3.94Å; N161-F195 WeakPolarHBondContact O-CE2 3.48Å; N161-F195 PolarHBondContact OD1-N 3.21Å
162	E	97.9	Very high	98.1	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.009	4%	0.04	C	C	.	.			trans	-70.5	150.1	176	-171.8	55.7	-101.3	0	0	111.2	F159 Y160 F164 L167 L198 S246 H247 R381	F159-E162 HydrophobicContact CB-CB 4.11Å; Y160-E162 PolarHBondContact O-N 3.03Å; E162-F164 PolarHBondContact O-N 3.44Å; E162-L167 HydrophobicContact CB-CB 4.41Å; E162-L167 HydrophobicContact CG-CB 3.86Å; E162-L198 WeakPolarHBondContact O-CD1 3.39Å; E162-S246 WeakPolarHBondContact CG-O 3.44Å; E162-S246 PolarHBondContact OE2-OG 3.32Å; E162-H247 IonicContact OE2-CE1 3.72Å; E162-H247 IonicContact OE2-CG 3.22Å; E162-H247 IonicContact OE2-ND1 2.61Å; E162-H247 PolarHBondContact OE2-ND1 2.76Å; E162-R381 IonicContact OE1-CZ 3.35Å; E162-R381 IonicContact OE1-NH2 3.62Å; E162-R381 PolarHBondContact OE1-NH2 2.85Å; E162-R381 IonicContact OE2-CZ 3.59Å; E162-R381 IonicContact OE2-NH2 3.15Å; E162-R381 PolarHBondContact OE2-NH2 2.87Å
163	A	97.1	Very high	98.1	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.008	3%	0.03	C	C	.	.			trans	-68.1	131.6	170.9	0	0	0	0	0	109.5	H117 F119 M121 S165 A166 L167	H117-A163 HydrophobicContact CB-CB 4.49Å; H117-A163 PolarHBondContact CE1-N 3.32Å; H117-A163 PolarHBondContact ND1-N 2.84Å; F119-A163 HydrophobicContact CE1-CB 4.2Å; F119-A163 HydrophobicContact CZ-CB 3.59Å; M121-A163 HydrophobicContact SD-CB 4.39Å; A163-S165 PolarHBondContact O-N 3.2Å; A163-S165 VanDerWaalsContact O-N 3.16Å; A163-A166 HydrophobicContact CB-CB 4.23Å; A163-A166 PolarHBondContact O-N 2.98Å; A163-L167 PolarHBondContact O-N 2.8Å
164	F	97.3	Very high	98.1	Very high	24 Å²	24	6.2 Å²	6.2	11%	0.105	3%	0.03	C	C	.	.	H	α-helix	trans	-51.4	-44.2	-177.2	-162.1	-101.4	0	0	0	112.6	E162 A166 L167 L168 D197 L198 E201 L202 Y205	E162-F164 PolarHBondContact O-N 3.44Å; F164-A166 PolarHBondContact O-N 3.11Å; F164-L167 PolarHBondContact O-N 3.46Å; F164-L168 HydrophobicContact CD1-CD1 3.76Å; F164-L168 HydrophobicContact CD1-CG 4.4Å; F164-L168 HydrophobicContact CE1-CD1 3.26Å; F164-L168 HydrophobicContact CE1-CG 4.2Å; F164-L168 HydrophobicContact CZ-CD1 3.76Å; F164-L168 HydrophobicContact CZ-CG 4.47Å; F164-L168 PolarHBondContact O-N 3.46Å; F164-D197 HydrophobicContact CD2-CB 4.15Å; F164-D197 VanDerWaalsContact CE2-O 3.26Å; F164-D197 WeakPolarHBondContact CE2-O 3.38Å; F164-L198 HydrophobicContact CD2-CD2 4.32Å; F164-E201 HydrophobicContact CE2-CG 4.24Å; F164-E201 HydrophobicContact CZ-CG 4.01Å; F164-L202 HydrophobicContact CE2-CB 4Å; F164-L202 HydrophobicContact CE2-CD1 4.16Å; F164-Y205 HydrophobicContact CZ-CG 4.48Å
165	S	97.4	Very high	98	Very high	3 Å²	3	9 Å²	9	2%	0.021	4%	0.044	C	C	.	.	H	α-helix	trans	-67.9	-34.2	179.2	60.1	0	0	0	0	114.4	S124 D125 A163 R169	S124-S165 WeakPolarHBondContact CB-OG 3.02Å; S124-S165 PolarHBondContact OG-OG 3.48Å; D125-S165 WeakPolarHBondContact OD1-CB 3.36Å; D125-S165 PolarHBondContact OD1-OG 3.25Å; A163-S165 PolarHBondContact O-N 3.2Å; A163-S165 VanDerWaalsContact O-N 3.16Å; S165-R169 WeakPolarHBondContact O-CB 3.22Å; S165-R169 PolarHBondContact O-N 2.57Å; S165-R169 PolarHBondContact O-NH2 2.88Å
166	A	98	Very high	97.9	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.008	6%	0.064	C	C	.	.	H	α-helix	trans	-73.8	-40	176.2	0	0	0	0	0	112	F119 A163 F164 T170 S246 H247 I379	F119-A166 HydrophobicContact CZ-CB 3.81Å; A163-A166 HydrophobicContact CB-CB 4.23Å; A163-A166 PolarHBondContact O-N 2.98Å; F164-A166 PolarHBondContact O-N 3.11Å; A166-T170 PolarHBondContact O-N 3.43Å; A166-T170 PolarHBondContact O-OG1 3.2Å; A166-S246 CarbonylContact C-O 3.56Å; A166-H247 HydrophobicContact CB-CB 4.31Å; A166-I379 HydrophobicContact CB-CD1 4.4Å
167	L	98.4	Very high	97.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.9	-53.7	175.5	177.4	61	0	0	0	110.7	I157 F159 E162 A163 F164 R169 T170 V171 L198 L202 S246	I157-L167 HydrophobicContact CG2-CD1 4.22Å; F159-L167 HydrophobicContact CB-CD1 4.38Å; F159-L167 HydrophobicContact CD1-CD1 4.29Å; F159-L167 HydrophobicContact CD1-CD2 4.42Å; F159-L167 HydrophobicContact CD2-CD2 4.17Å; F159-L167 HydrophobicContact CE1-CD2 4.49Å; F159-L167 HydrophobicContact CE2-CD2 4.22Å; F159-L167 HydrophobicContact CG-CD1 4.32Å; F159-L167 HydrophobicContact CG-CD2 4.26Å; F159-L167 HydrophobicContact CZ-CD2 4.35Å; E162-L167 HydrophobicContact CB-CB 4.41Å; E162-L167 HydrophobicContact CG-CB 3.86Å; A163-L167 PolarHBondContact O-N 2.8Å; F164-L167 PolarHBondContact O-N 3.46Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.85Å; L167-T170 WeakPolarHBondContact O-CB 3.4Å; L167-T170 PolarHBondContact O-N 2.89Å; L167-T170 VanDerWaalsContact O-N 3.11Å; L167-V171 WeakPolarHBondContact O-CG2 3.48Å; L167-V171 PolarHBondContact O-N 3.42Å; L167-L198 HydrophobicContact CD2-CD2 3.85Å; L167-L202 HydrophobicContact CD2-CD1 4.27Å; L167-L202 HydrophobicContact CD2-CD2 3.92Å; L167-S246 WeakPolarHBondContact CA-O 3.15Å
168	L	98.1	Very high	97.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.2	-35.3	-179	-71.5	-173.8	0	0	0	112.6	Y129 F164 T170 V171 H172 L202 Y205	Y129-L168 HydrophobicContact CD1-CB 3.9Å; Y129-L168 HydrophobicContact CD2-CB 4.18Å; Y129-L168 HydrophobicContact CD2-CD1 4.15Å; Y129-L168 HydrophobicContact CE1-CB 4.11Å; Y129-L168 HydrophobicContact CE1-CD1 4.25Å; Y129-L168 HydrophobicContact CE2-CB 4.33Å; Y129-L168 HydrophobicContact CE2-CD1 3.59Å; Y129-L168 HydrophobicContact CG-CB 3.97Å; F164-L168 HydrophobicContact CD1-CD1 3.76Å; F164-L168 HydrophobicContact CD1-CG 4.4Å; F164-L168 HydrophobicContact CE1-CD1 3.26Å; F164-L168 HydrophobicContact CE1-CG 4.2Å; F164-L168 HydrophobicContact CZ-CD1 3.76Å; F164-L168 HydrophobicContact CZ-CG 4.47Å; F164-L168 PolarHBondContact O-N 3.46Å; L168-T170 VanDerWaalsContact C-N 3.28Å; L168-T170 PolarHBondContact O-N 2.76Å; L168-V171 PolarHBondContact O-N 3.46Å; L168-H172 WeakPolarHBondContact O-CB 3.45Å; L168-H172 PolarHBondContact O-CD2 3.13Å; L168-H172 VanDerWaalsContact O-CD2 3.23Å; L168-H172 PolarHBondContact O-N 2.82Å; L168-L202 HydrophobicContact CD2-CD1 4.07Å; L168-Y205 HydrophobicContact CD1-CD1 3.77Å; L168-Y205 HydrophobicContact CD1-CD2 4.04Å; L168-Y205 HydrophobicContact CD1-CE1 3.61Å; L168-Y205 HydrophobicContact CD1-CE2 3.9Å; L168-Y205 HydrophobicContact CD1-CG 3.99Å; L168-Y205 HydrophobicContact CD2-CD1 3.7Å; L168-Y205 HydrophobicContact CD2-CE1 3.71Å; L168-Y205 HydrophobicContact CG-CD1 4.42Å; L168-Y205 HydrophobicContact CG-CE1 4.27Å
169	R	98.2	Very high	97.7	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.015	8%	0.083	C	C	.	.	H	α-helix	trans	-63	-36.1	172.4	-168.6	179.9	-51.6	108	20.5	112.1	S124 G128 S165 L167 S173 E249	S124-R169 PolarHBondContact O-NH2 2.7Å; S124-R169 PolarHBondContact OG-NH1 2.86Å; S124-R169 PolarHBondContact OG-NH2 3.43Å; G128-R169 PolarHBondContact O-NE 3.37Å; G128-R169 PolarHBondContact O-NH2 3.14Å; S165-R169 WeakPolarHBondContact O-CB 3.22Å; S165-R169 PolarHBondContact O-N 2.57Å; S165-R169 PolarHBondContact O-NH2 2.88Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.85Å; R169-S173 VanDerWaalsContact O-CB 3.22Å; R169-S173 WeakPolarHBondContact O-CB 3.41Å; R169-S173 PolarHBondContact O-N 3.19Å; R169-E249 VanDerWaalsContact CD-OE1 3.28Å; R169-E249 WeakPolarHBondContact CD-OE1 3.45Å; R169-E249 HydrophobicContact CG-CG 4.03Å
170	T	98.7	Very high	97.6	Very high	1 Å²	1	20 Å²	20	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-61.7	-50.9	173.6	-54.1	0	0	0	0	110.7	I157 A166 L167 L168 S173 V174 S246 H247 C248	I157-T170 HydrophobicContact CD1-CG2 3.98Å; A166-T170 PolarHBondContact O-N 3.43Å; A166-T170 PolarHBondContact O-OG1 3.2Å; L167-T170 WeakPolarHBondContact O-CB 3.4Å; L167-T170 PolarHBondContact O-N 2.89Å; L167-T170 VanDerWaalsContact O-N 3.11Å; L168-T170 VanDerWaalsContact C-N 3.28Å; L168-T170 PolarHBondContact O-N 2.76Å; T170-S173 PolarHBondContact O-N 2.9Å; T170-S173 PolarHBondContact O-OG 2.69Å; T170-V174 WeakPolarHBondContact O-CG2 3.21Å; T170-V174 PolarHBondContact O-N 3.34Å; T170-V174 VanDerWaalsContact O-N 3.17Å; T170-S246 VanDerWaalsContact OG1-C 3.24Å; T170-S246 PolarHBondContact OG1-O 3.24Å; T170-S246 VanDerWaalsContact OG1-O 3.13Å; T170-H247 WeakPolarHBondContact OG1-CA 3.25Å; T170-H247 PolarHBondContact OG1-N 2.82Å; T170-C248 WeakPolarHBondContact CA-O 3.25Å; T170-C248 WeakPolarHBondContact CB-O 3.41Å; T170-C248 HydrophobicContact CG2-CB 4.03Å; T170-C248 PolarHBondContact OG1-N 3.15Å; T170-C248 PolarHBondContact OG1-O 3Å; T170-C248 VanDerWaalsContact OG1-O 3.07Å
171	V	98.3	Very high	97.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.5	-52.4	179.4	173	0	0	0	0	111.6	I157 L167 L168 S173 V174 I175 I186 L188 L210 I214	I157-V171 HydrophobicContact CD1-CG2 4.25Å; L167-V171 WeakPolarHBondContact O-CG2 3.48Å; L167-V171 PolarHBondContact O-N 3.42Å; L168-V171 PolarHBondContact O-N 3.46Å; V171-S173 VanDerWaalsContact C-N 3.34Å; V171-S173 PolarHBondContact O-N 3.07Å; V171-V174 WeakPolarHBondContact O-CB 3.49Å; V171-V174 PolarHBondContact O-N 3.29Å; V171-I175 HydrophobicContact CG1-CD1 3.94Å; V171-I175 WeakPolarHBondContact O-CG1 3.43Å; V171-I175 PolarHBondContact O-N 3.3Å; V171-I175 VanDerWaalsContact O-N 3.08Å; V171-I186 HydrophobicContact CG1-CD1 4.29Å; V171-L188 HydrophobicContact CG2-CD1 4.16Å; V171-L188 HydrophobicContact CG2-CD2 3.76Å; V171-L210 HydrophobicContact CG1-CD1 3.82Å; V171-I214 HydrophobicContact CG1-CD1 3.43Å; V171-I214 VanDerWaalsContact CG1-CD1 3.43Å
172	H	97.9	Very high	97.6	Very high	9 Å²	9	23.2 Å²	23.2	4%	0.042	13%	0.127	C	C	.	.	H	α-helix	trans	-64.3	-37.9	179.3	-77.8	-64.6	0	0	0	111.9	H130 L168 V174 I175 D176 Y205	H130-H172 AromaticContact CE1-CE1 3.45Å; H130-H172 PolarHBondContact CE1-CE1 3.11Å; H130-H172 VanDerWaalsContact CE1-CE1 3.45Å; H130-H172 AromaticContact CE1-CG 3.4Å; H130-H172 VanDerWaalsContact CE1-CG 3.4Å; H130-H172 AromaticContact CE1-ND1 3.01Å; H130-H172 PolarHBondContact CE1-ND1 2.94Å; H130-H172 AromaticContact ND1-CG 3.99Å; H130-H172 AromaticContact ND1-ND1 3.92Å; H130-H172 AromaticContact NE2-CE1 3.5Å; H130-H172 AromaticContact NE2-CG 3.8Å; H130-H172 AromaticContact NE2-ND1 3.53Å; H130-H172 AromaticContact NE2-NE2 3.85Å; L168-H172 WeakPolarHBondContact O-CB 3.45Å; L168-H172 PolarHBondContact O-CD2 3.13Å; L168-H172 VanDerWaalsContact O-CD2 3.23Å; L168-H172 PolarHBondContact O-N 2.82Å; H172-V174 PolarHBondContact O-N 2.96Å; H172-I175 PolarHBondContact O-N 2.83Å; H172-I175 VanDerWaalsContact O-N 3.12Å; H172-D176 VanDerWaalsContact O-CB 3.31Å; H172-D176 WeakPolarHBondContact O-CB 3.36Å; H172-D176 PolarHBondContact O-N 3.42Å; H172-Y205 AromaticContact NE2-CE1 3.75Å; H172-Y205 AromaticContact NE2-CZ 3.78Å; H172-Y205 PolarHBondContact NE2-OH 3.01Å
173	S	98.4	Very high	97.6	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.014	13%	0.129	C	C	.	.	H	α-helix	trans	-58.3	-38.8	174.9	84.2	0	0	0	0	112.4	R169 T170 V171 R177 V250	R169-S173 VanDerWaalsContact O-CB 3.22Å; R169-S173 WeakPolarHBondContact O-CB 3.41Å; R169-S173 PolarHBondContact O-N 3.19Å; T170-S173 PolarHBondContact O-N 2.9Å; T170-S173 PolarHBondContact O-OG 2.69Å; V171-S173 VanDerWaalsContact C-N 3.34Å; V171-S173 PolarHBondContact O-N 3.07Å; S173-R177 WeakPolarHBondContact O-CB 3.35Å; S173-R177 PolarHBondContact O-N 2.79Å; S173-V250 WeakPolarHBondContact O-CG2 3.36Å; S173-V250 PolarHBondContact OG-N 3.07Å
174	V	98.5	Very high	97.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.6	-44.8	177.2	171.4	0	0	0	0	110.4	V155 T170 V171 H172 T178 L183 I186 L244 V250 W254	V155-V174 HydrophobicContact CG1-CG1 4.5Å; V155-V174 HydrophobicContact CG1-CG2 4.47Å; V155-V174 HydrophobicContact CG2-CG1 4.04Å; T170-V174 WeakPolarHBondContact O-CG2 3.21Å; T170-V174 PolarHBondContact O-N 3.34Å; T170-V174 VanDerWaalsContact O-N 3.17Å; V171-V174 WeakPolarHBondContact O-CB 3.49Å; V171-V174 PolarHBondContact O-N 3.29Å; H172-V174 PolarHBondContact O-N 2.96Å; V174-T178 WeakPolarHBondContact O-CB 3.32Å; V174-T178 PolarHBondContact O-N 3.46Å; V174-T178 PolarHBondContact O-OG1 2.99Å; V174-L183 HydrophobicContact CG1-CD1 3.95Å; V174-L183 HydrophobicContact CG1-CD2 4.21Å; V174-I186 HydrophobicContact CB-CD1 4.15Å; V174-I186 HydrophobicContact CG1-CD1 3.77Å; V174-I186 HydrophobicContact CG1-CG1 4.23Å; V174-L244 HydrophobicContact CG2-CD1 3.64Å; V174-V250 HydrophobicContact CG2-CG1 4.03Å; V174-W254 HydrophobicContact CG1-CZ2 4.42Å; V174-W254 HydrophobicContact CG2-CZ2 4.33Å
175	I	97.1	Very high	97.7	Very high	58 Å²	58	26.6 Å²	26.6	30%	0.297	14%	0.143	S	C	.	.	H	α-helix	trans	-63.7	-51.1	179.6	-66.3	171	0	0	0	110.5	V171 H172 R177 L183 I186 L210 I214	V171-I175 HydrophobicContact CG1-CD1 3.94Å; V171-I175 WeakPolarHBondContact O-CG1 3.43Å; V171-I175 PolarHBondContact O-N 3.3Å; V171-I175 VanDerWaalsContact O-N 3.08Å; H172-I175 PolarHBondContact O-N 2.83Å; H172-I175 VanDerWaalsContact O-N 3.12Å; I175-R177 VanDerWaalsContact C-N 3.25Å; I175-R177 PolarHBondContact O-N 3.07Å; I175-L183 HydrophobicContact CG1-CD2 4.43Å; I175-I186 HydrophobicContact CD1-CD1 4.27Å; I175-I186 HydrophobicContact CG1-CD1 3.77Å; I175-L210 HydrophobicContact CD1-CD2 3.5Å; I175-L210 VanDerWaalsContact CD1-CD2 3.5Å; I175-I214 HydrophobicContact CD1-CD1 4.22Å
176	D	96.7	Very high	97.8	Very high	80 Å²	80	26.5 Å²	26.5	43%	0.428	14%	0.142	S	C	.	.	H	α-helix	trans	-66	-27.5	-172.3	-63.8	-15	0	0	0	112.5	H130 H172	H130-D176 IonicContact CE1-OD1 2.72Å; H130-D176 IonicContact CE1-OD2 3.64Å; H130-D176 IonicContact CG-OD2 2.88Å; H130-D176 IonicContact ND1-OD1 3.4Å; H130-D176 IonicContact ND1-OD2 2.75Å; H130-D176 PolarHBondContact ND1-OD2 3.14Å; H172-D176 VanDerWaalsContact O-CB 3.31Å; H172-D176 WeakPolarHBondContact O-CB 3.36Å; H172-D176 PolarHBondContact O-N 3.42Å
177	R	97.6	Very high	97.8	Very high	46 Å²	46	26.4 Å²	26.4	17%	0.174	14%	0.142	C	C	.	.	H	α-helix	trans	-117.7	10.2	-171.5	-62	177.4	-179.2	87.9	3.8	114.7	R131 S173 I175 V250	R131-R177 PolarHBondContact O-NH2 3.33Å; S173-R177 WeakPolarHBondContact O-CB 3.35Å; S173-R177 PolarHBondContact O-N 2.79Å; I175-R177 VanDerWaalsContact C-N 3.25Å; I175-R177 PolarHBondContact O-N 3.07Å; R177-V250 HydrophobicContact CB-CG2 4.01Å; R177-V250 WeakPolarHBondContact CD-O 3.27Å
178	T	97.9	Very high	97.8	Very high	11 Å²	11	26.4 Å²	26.4	7%	0.067	14%	0.142	C	C	.	.	S	Bend	trans	-116.8	125.4	177.5	-52.2	0	0	0	0	110.8	V174 A180 L182 L183 W254 L255	V174-T178 WeakPolarHBondContact O-CB 3.32Å; V174-T178 PolarHBondContact O-N 3.46Å; V174-T178 PolarHBondContact O-OG1 2.99Å; T178-A180 PolarHBondContact O-N 2.83Å; T178-L182 HydrophobicContact CG2-CB 4.43Å; T178-L183 HydrophobicContact CG2-CB 3.8Å; T178-W254 PolarHBondContact OG1-NE1 3.45Å; T178-W254 VanDerWaalsContact OG1-NE1 3.12Å; T178-L255 HydrophobicContact CG2-CD2 3.41Å; T178-L255 VanDerWaalsContact CG2-CD2 3.41Å
179	P	96.4	Very high	97.8	Very high	38 Å²	38	26.4 Å²	26.4	25%	0.247	14%	0.142	C	C	.	.			trans	-54.7	133.3	174.9	-25.7	34.2	0	0	0	112	H181 L182 L183 Q256	P179-H181 PolarHBondContact O-N 2.87Å; P179-H181 VanDerWaalsContact O-N 3.07Å; P179-L182 HydrophobicContact CB-CD1 4.16Å; P179-L182 HydrophobicContact CB-CG 4.22Å; P179-L182 HydrophobicContact CG-CD1 4Å; P179-L182 PolarHBondContact O-N 3.45Å; P179-L183 PolarHBondContact O-N 3.42Å; P179-Q256 VanDerWaalsContact CG-NE2 3.33Å
180	A	95.4	Very high	97.8	Very high	74 Å²	74	26.6 Å²	26.6	61%	0.612	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-28	-170.9	0	0	0	0	0	114.6	T178 K213	T178-A180 PolarHBondContact O-N 2.83Å; A180-K213 PolarHBondContact O-NZ 3.16Å
181	H	96.2	Very high	97.8	Very high	132 Å²	132	27 Å²	27	61%	0.611	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-19.4	177.1	65.8	-86.7	0	0	0	113.5	P179	P179-H181 PolarHBondContact O-N 2.87Å; P179-H181 VanDerWaalsContact O-N 3.07Å
182	L	98	Very high	97.7	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-27.4	176.8	-58.5	-179.8	0	0	0	112.2	L150 A152 A153 T178 P179 H184 L255 Q256 L259	L150-L182 HydrophobicContact CB-CD2 3.69Å; L150-L182 HydrophobicContact CD1-CD1 4.32Å; A152-L182 WeakPolarHBondContact CA-O 3.47Å; A153-L182 PolarHBondContact N-O 3.27Å; T178-L182 HydrophobicContact CG2-CB 4.43Å; P179-L182 HydrophobicContact CB-CD1 4.16Å; P179-L182 HydrophobicContact CB-CG 4.22Å; P179-L182 HydrophobicContact CG-CD1 4Å; P179-L182 PolarHBondContact O-N 3.45Å; L182-H184 PolarHBondContact O-N 3.18Å; L182-L255 HydrophobicContact CB-CD2 4.14Å; L182-Q256 HydrophobicContact CD1-CG 3.77Å; L182-L259 HydrophobicContact CB-CD1 4.28Å; L182-L259 HydrophobicContact CD1-CD1 4.17Å; L182-L259 HydrophobicContact CD2-CD1 4.23Å; L182-L259 HydrophobicContact CG-CD1 4.46Å
183	L	98	Very high	97.7	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	96.4	176.8	-174	61	0	0	0	110.5	V155 V174 I175 T178 P179 I186 K213	V155-L183 HydrophobicContact CG2-CD1 3.74Å; V174-L183 HydrophobicContact CG1-CD1 3.95Å; V174-L183 HydrophobicContact CG1-CD2 4.21Å; I175-L183 HydrophobicContact CG1-CD2 4.43Å; T178-L183 HydrophobicContact CG2-CB 3.8Å; P179-L183 PolarHBondContact O-N 3.42Å; L183-I186 HydrophobicContact CD1-CG1 3.96Å; L183-I186 HydrophobicContact CD2-CD1 4.21Å; L183-I186 HydrophobicContact CD2-CG1 4.31Å; L183-K213 PolarHBondContact O-NZ 3.47Å
184	H	98.1	Very high	97.5	Very high	83 Å²	83	34 Å²	34	38%	0.384	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-51.9	178.1	-173.9	66.6	0	0	0	111.2	A152 A153 L182 T237 G238	A152-H184 HydrophobicContact CB-CB 4.07Å; A153-H184 VanDerWaalsContact O-CB 3.32Å; A153-H184 WeakPolarHBondContact O-CB 3.45Å; A153-H184 PolarHBondContact O-N 2.94Å; L182-H184 PolarHBondContact O-N 3.18Å; H184-T237 PolarHBondContact CD2-OG1 3.38Å; H184-T237 PolarHBondContact NE2-OG1 2.95Å; H184-G238 PolarHBondContact CD2-N 3.27Å
185	E	98.4	Very high	97.3	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.028	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	160.7	178.9	63.1	-166.1	145.8	0	0	111.3	S154 V155 I187 K213 K215 T237	S154-E185 WeakPolarHBondContact CA-O 3.17Å; S154-E185 VanDerWaalsContact OG-CG 3.31Å; S154-E185 WeakPolarHBondContact OG-CG 3.48Å; S154-E185 PolarHBondContact OG-OE1 2.94Å; V155-E185 PolarHBondContact N-O 2.96Å; E185-I187 HydrophobicContact CG-CD1 4.26Å; E185-I187 HydrophobicContact CG-CG1 4.1Å; E185-K213 CarbonylContact C-O 3.58Å; E185-K213 WeakPolarHBondContact CA-O 3.33Å; E185-K215 WeakPolarHBondContact OE2-CD 3.01Å; E185-K215 WeakPolarHBondContact OE2-CE 3.35Å; E185-K215 IonicContact OE2-NZ 3.61Å; E185-K215 PolarHBondContact OE2-NZ 3.02Å; E185-T237 PolarHBondContact OE1-N 3.36Å; E185-T237 PolarHBondContact OE1-OG1 3.39Å
186	I	98.7	Very high	97.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.4	166.5	-56.5	177	0	0	0	107.9	V155 I157 V171 V174 I175 L183 L188 K213 I214 K215	V155-I186 HydrophobicContact CB-CG1 4.37Å; V155-I186 CarbonylContact O-C 3.57Å; V155-I186 WeakPolarHBondContact O-CA 3.32Å; I157-I186 HydrophobicContact CD1-CG2 3.94Å; V171-I186 HydrophobicContact CG1-CD1 4.29Å; V174-I186 HydrophobicContact CB-CD1 4.15Å; V174-I186 HydrophobicContact CG1-CD1 3.77Å; V174-I186 HydrophobicContact CG1-CG1 4.23Å; I175-I186 HydrophobicContact CD1-CD1 4.27Å; I175-I186 HydrophobicContact CG1-CD1 3.77Å; L183-I186 HydrophobicContact CD1-CG1 3.96Å; L183-I186 HydrophobicContact CD2-CD1 4.21Å; L183-I186 HydrophobicContact CD2-CG1 4.31Å; I186-L188 HydrophobicContact CG2-CD2 3.81Å; I186-L188 HydrophobicContact CG2-CG 4.47Å; I186-K213 PolarHBondContact N-O 3.19Å; I186-I214 HydrophobicContact CB-CG1 4.32Å; I186-I214 CarbonylContact O-C 3.5Å; I186-I214 WeakPolarHBondContact O-CA 3.48Å; I186-K215 PolarHBondContact O-N 3.05Å
187	I	98.7	Very high	97.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	110.7	179.1	-57	177.7	0	0	0	108.2	V155 V156 I157 E185 V189 K215 I217 H235 A236	V155-I187 PolarHBondContact O-N 2.92Å; V156-I187 WeakPolarHBondContact CA-O 3.49Å; V156-I187 HydrophobicContact CG2-CB 4.46Å; I157-I187 PolarHBondContact N-O 3.04Å; E185-I187 HydrophobicContact CG-CD1 4.26Å; E185-I187 HydrophobicContact CG-CG1 4.1Å; I187-V189 HydrophobicContact CG2-CG2 3.97Å; I187-K215 CarbonylContact C-O 3.56Å; I187-K215 WeakPolarHBondContact CA-O 3.37Å; I187-I217 HydrophobicContact CG2-CG1 3.84Å; I187-H235 HydrophobicContact CD1-CB 4.17Å; I187-A236 VanDerWaalsContact CD1-CA 3.48Å; I187-A236 HydrophobicContact CD1-CB 3.77Å
188	L	98.7	Very high	97.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	114.6	174	-53.9	-173.9	0	0	0	108.2	I157 F159 V171 I186 I214 K215 V216 I217	I157-L188 HydrophobicContact CB-CD2 3.84Å; I157-L188 HydrophobicContact CD1-CD2 3.95Å; I157-L188 HydrophobicContact CG1-CD2 4.39Å; I157-L188 HydrophobicContact CG2-CD2 4.34Å; I157-L188 CarbonylContact O-C 3.49Å; I157-L188 WeakPolarHBondContact O-CA 3.25Å; F159-L188 HydrophobicContact CD1-CB 4.45Å; F159-L188 HydrophobicContact CE1-CB 3.85Å; V171-L188 HydrophobicContact CG2-CD1 4.16Å; V171-L188 HydrophobicContact CG2-CD2 3.76Å; I186-L188 HydrophobicContact CG2-CD2 3.81Å; I186-L188 HydrophobicContact CG2-CG 4.47Å; L188-I214 HydrophobicContact CD1-CG2 3.92Å; L188-I214 HydrophobicContact CG-CG2 3.98Å; L188-K215 PolarHBondContact N-O 3.09Å; L188-V216 HydrophobicContact CB-CG2 4.43Å; L188-V216 HydrophobicContact CD1-CG2 4.34Å; L188-V216 CarbonylContact O-C 3.56Å; L188-V216 WeakPolarHBondContact O-CA 3.37Å; L188-I217 PolarHBondContact O-N 3.13Å
189	V	98.6	Very high	96.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	106.9	178.3	-172.8	0	0	0	0	108.8	V156 I157 C158 F159 I187 D191 I217 I231	V156-V189 HydrophobicContact CG1-CG2 4.22Å; I157-V189 PolarHBondContact O-N 2.98Å; C158-V189 WeakPolarHBondContact CA-O 3.44Å; F159-V189 WeakPolarHBondContact CD1-O 3.18Å; F159-V189 PolarHBondContact N-O 3.36Å; I187-V189 HydrophobicContact CG2-CG2 3.97Å; V189-D191 PolarHBondContact O-N 3.02Å; V189-I217 WeakPolarHBondContact CA-O 3.49Å; V189-I231 HydrophobicContact CG1-CG2 4.28Å
190	D	98.5	Very high	96.7	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.043	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	113.3	172.3	-176.5	14.1	0	0	0	110.1	F159 D192 S193 I217 R218 N219	F159-D190 HydrophobicContact CE1-CB 3.9Å; F159-D190 HydrophobicContact CE2-CB 3.81Å; F159-D190 HydrophobicContact CZ-CB 3.42Å; F159-D190 VanDerWaalsContact CZ-CB 3.42Å; D190-D192 PolarHBondContact O-N 3Å; D190-D192 VanDerWaalsContact O-N 3.09Å; D190-D192 PolarHBondContact OD1-N 3.44Å; D190-S193 WeakPolarHBondContact OD1-CB 3.48Å; D190-S193 PolarHBondContact OD1-N 3.25Å; D190-S193 PolarHBondContact OD1-OG 3.21Å; D190-I217 PolarHBondContact N-O 3.38Å; D190-R218 VanDerWaalsContact CB-CD 3.49Å; D190-R218 VanDerWaalsContact CG-NH1 3.26Å; D190-R218 WeakPolarHBondContact OD2-CD 3.29Å; D190-R218 IonicContact OD2-CZ 3.91Å; D190-R218 IonicContact OD2-NE 2.84Å; D190-R218 IonicContact OD2-NH1 2.78Å; D190-R218 PolarHBondContact OD2-NH1 2.81Å; D190-N219 WeakPolarHBondContact O-CB 3.4Å; D190-N219 PolarHBondContact O-N 3.06Å
191	D	97.5	Very high	96.8	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.043	21%	0.213	C	C	.	.			trans	-86.6	53	177.9	-169.6	41.2	0	0	0	112.1	F159 Y160 V189 N219 E223 G224	F159-D191 PolarHBondContact O-N 2.61Å; Y160-D191 VanDerWaalsContact CD2-O 3.31Å; Y160-D191 WeakPolarHBondContact CD2-O 3.43Å; V189-D191 PolarHBondContact O-N 3.02Å; D191-N219 PolarHBondContact OD1-ND2 3.01Å; D191-N219 VanDerWaalsContact OD1-ND2 3.09Å; D191-E223 WeakPolarHBondContact OD1-CA 3.2Å; D191-E223 WeakPolarHBondContact OD1-CB 3.26Å; D191-E223 PolarHBondContact OD1-N 2.93Å; D191-G224 VanDerWaalsContact CG-N 3.32Å; D191-G224 PolarHBondContact OD1-N 3.11Å; D191-G224 VanDerWaalsContact OD1-N 3.08Å; D191-G224 WeakPolarHBondContact OD2-CA 3.41Å; D191-G224 PolarHBondContact OD2-N 3.41Å
192	D	96.6	Very high	96.8	Very high	62 Å²	62	35.2 Å²	35.2	33%	0.332	18%	0.184	S	C	.	.	S	Bend	trans	63.2	56.3	178	-170.8	32.8	0	0	0	113.1	Y160 D190 K221 R222	Y160-D192 WeakPolarHBondContact CE2-O 3.14Å; D190-D192 PolarHBondContact O-N 3Å; D190-D192 VanDerWaalsContact O-N 3.09Å; D190-D192 PolarHBondContact OD1-N 3.44Å; D192-K221 WeakPolarHBondContact OD2-CA 3.43Å; D192-R222 HydrophobicContact CB-CB 4.2Å; D192-R222 PolarHBondContact OD2-N 2.77Å; D192-R222 VanDerWaalsContact OD2-N 3.08Å
193	S	97.1	Very high	96.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	20%	0.202	C	C	.	.			trans	-66.4	143.3	179	-62.7	0	0	0	0	113.5	Y160 N161 D190 K199	Y160-S193 WeakPolarHBondContact CA-OG 3.38Å; N161-S193 PolarHBondContact N-OG 2.96Å; D190-S193 WeakPolarHBondContact OD1-CB 3.48Å; D190-S193 PolarHBondContact OD1-N 3.25Å; D190-S193 PolarHBondContact OD1-OG 3.21Å; S193-K199 WeakPolarHBondContact O-CE 3.31Å; S193-K199 PolarHBondContact O-NZ 2.9Å
194	D	94.6	Very high	96.6	Very high	97 Å²	97	44.6 Å²	44.6	52%	0.519	23%	0.23	S	C	.	.			trans	-87.2	-28.3	179.1	-59.6	-70.4	0	0	0	112.8	Y160 N161	Y160-D194 PolarHBondContact OH-OD2 2.85Å; N161-D194 PolarHBondContact ND2-OD2 2.78Å; N161-D194 PolarHBondContact OD1-N 2.96Å
195	F	95	Very high	96.5	Very high	45 Å²	45	42.4 Å²	42.4	20%	0.197	22%	0.219	C	C	.	.			trans	-74.2	134	-174	-56.8	-27.6	0	0	0	112.3	K116 H117 N161 D197 L198	K116-F195 HydrophobicContact CB-CZ 4.27Å; K116-F195 HydrophobicContact CD-CE1 4.35Å; K116-F195 HydrophobicContact CD-CE2 4.47Å; K116-F195 HydrophobicContact CD-CZ 3.97Å; K116-F195 HydrophobicContact CG-CZ 4.22Å; H117-F195 AromaticContact CE1-CD2 3.92Å; H117-F195 AromaticContact CE1-CE2 3.37Å; H117-F195 WeakPolarHBondContact CE1-CE2 3.27Å; N161-F195 HydrophobicContact CB-CD2 3.8Å; N161-F195 HydrophobicContact CB-CE2 3.49Å; N161-F195 VanDerWaalsContact CB-CE2 3.49Å; N161-F195 HydrophobicContact CB-CG 4.47Å; N161-F195 HydrophobicContact CB-CZ 3.94Å; N161-F195 WeakPolarHBondContact O-CE2 3.48Å; N161-F195 PolarHBondContact OD1-N 3.21Å; F195-D197 WeakPolarHBondContact CB-OD1 3.32Å; F195-D197 PolarHBondContact O-N 3.47Å; F195-L198 HydrophobicContact CB-CD1 4.25Å; F195-L198 HydrophobicContact CB-CG 4.41Å; F195-L198 HydrophobicContact CD2-CD1 4.39Å; F195-L198 PolarHBondContact O-N 3.36Å
196	D	94.3	Very high	96.4	Very high	135 Å²	135	42.8 Å²	42.8	72%	0.722	22%	0.222	S	C	*	.	S	Bend	trans	-67.6	-35	-172.4	-68.7	-36.5	0	0	0	113	L198 K199	D196-L198 PolarHBondContact O-N 2.97Å; D196-K199 PolarHBondContact O-N 3.01Å
197	D	94.9	Very high	96.2	Very high	48 Å²	48	50.5 Å²	50.5	26%	0.257	26%	0.257	S	S	.	.	I	π-helix	trans	-61.8	-30.8	176.8	57.6	-14.7	0	0	0	112.3	F164 F195 K199 E201 L202	F164-D197 HydrophobicContact CD2-CB 4.15Å; F164-D197 VanDerWaalsContact CE2-O 3.26Å; F164-D197 WeakPolarHBondContact CE2-O 3.38Å; F195-D197 WeakPolarHBondContact CB-OD1 3.32Å; F195-D197 PolarHBondContact O-N 3.47Å; D197-K199 PolarHBondContact O-N 2.94Å; D197-E201 WeakPolarHBondContact O-CB 3.19Å; D197-L202 PolarHBondContact O-N 3.48Å; D197-L202 VanDerWaalsContact O-N 3.16Å
198	L	96.9	Very high	96	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.288	C	S	.	.	I	π-helix	trans	-76.1	-6.9	175.7	-65.2	177	0	0	0	113.5	F159 E162 F164 L167 F195 D196 L202 R218	F159-L198 HydrophobicContact CD2-CD1 4.23Å; F159-L198 HydrophobicContact CD2-CD2 4.39Å; F159-L198 HydrophobicContact CE2-CB 4.28Å; F159-L198 HydrophobicContact CE2-CD1 4.29Å; F159-L198 HydrophobicContact CE2-CD2 4.18Å; E162-L198 WeakPolarHBondContact O-CD1 3.39Å; F164-L198 HydrophobicContact CD2-CD2 4.32Å; L167-L198 HydrophobicContact CD2-CD2 3.85Å; F195-L198 HydrophobicContact CB-CD1 4.25Å; F195-L198 HydrophobicContact CB-CG 4.41Å; F195-L198 HydrophobicContact CD2-CD1 4.39Å; F195-L198 PolarHBondContact O-N 3.36Å; D196-L198 PolarHBondContact O-N 2.97Å; L198-L202 WeakPolarHBondContact O-CB 3.4Å; L198-R218 PolarHBondContact O-NH1 3.05Å; L198-R218 PolarHBondContact O-NH2 2.87Å
199	K	95.1	Very high	95.8	Very high	90 Å²	90	63.3 Å²	63.3	39%	0.391	31%	0.311	S	S	.	.	I	π-helix	trans	-96.8	-107.1	-178	-58.9	-174.5	-177.1	-176.1	0	111.1	S193 D196 D197 E201 L202 D203 R218	S193-K199 WeakPolarHBondContact O-CE 3.31Å; S193-K199 PolarHBondContact O-NZ 2.9Å; D196-K199 PolarHBondContact O-N 3.01Å; D197-K199 PolarHBondContact O-N 2.94Å; K199-E201 VanDerWaalsContact C-N 3.32Å; K199-E201 PolarHBondContact O-N 2.8Å; K199-L202 PolarHBondContact O-N 2.66Å; K199-D203 PolarHBondContact O-N 2.82Å; K199-D203 VanDerWaalsContact O-N 3.16Å; K199-R218 PolarHBondContact O-NH2 3.24Å
200	G	92.6	Very high	95.6	Very high	37 Å²	37	64.2 Å²	64.2	38%	0.381	32%	0.315	S	S	.	.	I	π-helix	trans	-61.6	-39.1	-175.1	0	0	0	0	0	112.9	L202 D203 E204	G200-L202 PolarHBondContact O-N 3.21Å; G200-D203 PolarHBondContact O-N 2.73Å; G200-E204 WeakPolarHBondContact O-CB 3.49Å; G200-E204 WeakPolarHBondContact O-CG 3.3Å; G200-E204 PolarHBondContact O-N 2.87Å
201	E	96.3	Very high	94.9	Very high	109 Å²	109	68.7 Å²	68.7	51%	0.509	35%	0.345	S	S	.	.	I	π-helix	trans	-64.3	-40.6	179.3	-180	176	176.6	0	0	112.2	F164 D197 K199 Y205	F164-E201 HydrophobicContact CE2-CG 4.24Å; F164-E201 HydrophobicContact CZ-CG 4.01Å; D197-E201 WeakPolarHBondContact O-CB 3.19Å; K199-E201 VanDerWaalsContact C-N 3.32Å; K199-E201 PolarHBondContact O-N 2.8Å; E201-Y205 VanDerWaalsContact O-CB 3.31Å; E201-Y205 WeakPolarHBondContact O-CB 3.39Å; E201-Y205 PolarHBondContact O-N 3.34Å
202	L	97.1	Very high	94.3	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-63	-44.4	173	-178.9	60.3	0	0	0	111.9	F159 F164 L167 L168 D197 L198 K199 G200 Y205 V206	F159-L202 HydrophobicContact CE1-CD2 4.47Å; F159-L202 HydrophobicContact CE2-CD2 4.22Å; F159-L202 HydrophobicContact CZ-CD2 3.7Å; F164-L202 HydrophobicContact CE2-CB 4Å; F164-L202 HydrophobicContact CE2-CD1 4.16Å; L167-L202 HydrophobicContact CD2-CD1 4.27Å; L167-L202 HydrophobicContact CD2-CD2 3.92Å; L168-L202 HydrophobicContact CD2-CD1 4.07Å; D197-L202 PolarHBondContact O-N 3.48Å; D197-L202 VanDerWaalsContact O-N 3.16Å; L198-L202 WeakPolarHBondContact O-CB 3.4Å; K199-L202 PolarHBondContact O-N 2.66Å; G200-L202 PolarHBondContact O-N 3.21Å; L202-Y205 PolarHBondContact O-N 3.01Å; L202-V206 HydrophobicContact CD1-CG2 4.15Å; L202-V206 HydrophobicContact CG-CG2 4.49Å; L202-V206 WeakPolarHBondContact O-CG2 2.97Å; L202-V206 PolarHBondContact O-N 3.49Å
203	D	95.4	Very high	93.8	Very high	71 Å²	71	73.1 Å²	73.1	38%	0.38	39%	0.385	S	S	.	.	H	α-helix	trans	-63.7	-44.3	-179.6	-64.7	-20.4	0	0	0	110.8	K199 G200 V206 Q207 R218	K199-D203 PolarHBondContact O-N 2.82Å; K199-D203 VanDerWaalsContact O-N 3.16Å; G200-D203 PolarHBondContact O-N 2.73Å; D203-V206 PolarHBondContact O-N 3.44Å; D203-Q207 WeakPolarHBondContact O-CB 3.35Å; D203-Q207 PolarHBondContact O-N 3.08Å; D203-R218 IonicContact OD1-CZ 2.82Å; D203-R218 IonicContact OD1-NE 3.34Å; D203-R218 IonicContact OD1-NH2 3.48Å; D203-R218 PolarHBondContact OD1-NH2 3.14Å; D203-R218 IonicContact OD2-NH2 3.74Å
204	E	96.1	Very high	93.8	Very high	136 Å²	136	74.1 Å²	74.1	64%	0.636	39%	0.39	S	S	*	.	H	α-helix	trans	-61.1	-44	174.2	-74.6	177.7	-165.8	0	0	111.8	G200 Q207 K208	G200-E204 WeakPolarHBondContact O-CB 3.49Å; G200-E204 WeakPolarHBondContact O-CG 3.3Å; G200-E204 PolarHBondContact O-N 2.87Å; E204-Q207 PolarHBondContact O-N 3.49Å; E204-K208 WeakPolarHBondContact O-CB 3.5Å; E204-K208 PolarHBondContact O-N 2.51Å
205	Y	96.5	Very high	93.9	Very high	36 Å²	36	73.6 Å²	73.6	14%	0.141	38%	0.383	C	S	.	.	H	α-helix	trans	-61.7	-48.1	177.9	-173.4	-83.4	0	0	0	111.3	Y129 F164 L168 H172 E201 L202 K208 Y209 L210	Y129-Y205 WeakPolarHBondContact CD2-OH 3.02Å; Y129-Y205 AromaticContact CE2-CE2 3.97Å; Y129-Y205 HydrophobicContact CE2-CE2 3.97Å; Y129-Y205 AromaticContact CE2-CZ 3.94Å; F164-Y205 HydrophobicContact CZ-CG 4.48Å; L168-Y205 HydrophobicContact CD1-CD1 3.77Å; L168-Y205 HydrophobicContact CD1-CD2 4.04Å; L168-Y205 HydrophobicContact CD1-CE1 3.61Å; L168-Y205 HydrophobicContact CD1-CE2 3.9Å; L168-Y205 HydrophobicContact CD1-CG 3.99Å; L168-Y205 HydrophobicContact CD2-CD1 3.7Å; L168-Y205 HydrophobicContact CD2-CE1 3.71Å; L168-Y205 HydrophobicContact CG-CD1 4.42Å; L168-Y205 HydrophobicContact CG-CE1 4.27Å; H172-Y205 AromaticContact NE2-CE1 3.75Å; H172-Y205 AromaticContact NE2-CZ 3.78Å; H172-Y205 PolarHBondContact NE2-OH 3.01Å; E201-Y205 VanDerWaalsContact O-CB 3.31Å; E201-Y205 WeakPolarHBondContact O-CB 3.39Å; E201-Y205 PolarHBondContact O-N 3.34Å; L202-Y205 PolarHBondContact O-N 3.01Å; Y205-K208 PolarHBondContact O-N 2.85Å; Y205-Y209 HydrophobicContact CD1-CD2 4.28Å; Y205-Y209 AromaticContact CD2-CD2 3.47Å; Y205-Y209 HydrophobicContact CD2-CD2 3.47Å; Y205-Y209 VanDerWaalsContact CD2-CD2 3.47Å; Y205-Y209 AromaticContact CD2-CE2 3.77Å; Y205-Y209 HydrophobicContact CD2-CE2 3.77Å; Y205-Y209 HydrophobicContact CE1-CD2 4.31Å; Y205-Y209 AromaticContact CE2-CD2 3.5Å; Y205-Y209 HydrophobicContact CE2-CD2 3.5Å; Y205-Y209 VanDerWaalsContact CE2-CD2 3.5Å; Y205-Y209 AromaticContact CE2-CE2 3.88Å; Y205-Y209 HydrophobicContact CE2-CE2 3.88Å; Y205-Y209 HydrophobicContact CE2-CG 4.27Å; Y205-Y209 AromaticContact CG-CD2 3.87Å; Y205-Y209 HydrophobicContact CG-CD2 3.87Å; Y205-Y209 HydrophobicContact CG-CE2 4.49Å; Y205-Y209 AromaticContact CZ-CD2 3.93Å; Y205-Y209 WeakPolarHBondContact O-CB 3.32Å; Y205-Y209 WeakPolarHBondContact O-CD2 3.37Å; Y205-Y209 PolarHBondContact O-N 3.07Å; Y205-L210 HydrophobicContact CD1-CD1 4.23Å; Y205-L210 HydrophobicContact CE1-CD1 3.88Å; Y205-L210 HydrophobicContact CE1-CG 4.34Å
206	V	96.4	Very high	94	Very high	15 Å²	15	73.2 Å²	73.2	9%	0.091	39%	0.385	C	S	.	.	H	α-helix	trans	-62.4	-45.4	179.4	169.9	0	0	0	0	110.7	L202 D203 K208 L210 I214 V216	L202-V206 HydrophobicContact CD1-CG2 4.15Å; L202-V206 HydrophobicContact CG-CG2 4.49Å; L202-V206 WeakPolarHBondContact O-CG2 2.97Å; L202-V206 PolarHBondContact O-N 3.49Å; D203-V206 PolarHBondContact O-N 3.44Å; V206-K208 VanDerWaalsContact C-N 3.34Å; V206-K208 PolarHBondContact O-N 3.42Å; V206-L210 CarbonylContact O-C 3.58Å; V206-L210 VanDerWaalsContact O-C 3.24Å; V206-L210 WeakPolarHBondContact O-CA 3.45Å; V206-L210 PolarHBondContact O-N 2.85Å; V206-I214 HydrophobicContact CG1-CB 3.85Å; V206-I214 HydrophobicContact CG1-CG2 3.83Å; V206-I214 HydrophobicContact CG2-CG2 4.28Å; V206-V216 HydrophobicContact CG1-CG2 4.42Å; V206-V216 HydrophobicContact CG2-CG2 4.16Å
207	Q	94	Very high	94.2	Very high	162 Å²	162	68.3 Å²	68.3	76%	0.757	36%	0.358	S	S	*	.	H	α-helix	trans	-63.3	-40.9	179.4	-173.8	176.9	12.2	0	0	112.2	D203 E204	D203-Q207 WeakPolarHBondContact O-CB 3.35Å; D203-Q207 PolarHBondContact O-N 3.08Å; E204-Q207 PolarHBondContact O-N 3.49Å
208	K	95	Very high	94.3	Very high	146 Å²	146	69.7 Å²	69.7	64%	0.635	36%	0.36	S	S	*	.	H	α-helix	trans	-78.9	-42	-175.2	-174.5	173.8	177.4	-169.9	0	113.2	E204 Y205 V206	E204-K208 WeakPolarHBondContact O-CB 3.5Å; E204-K208 PolarHBondContact O-N 2.51Å; Y205-K208 PolarHBondContact O-N 2.85Å; V206-K208 VanDerWaalsContact C-N 3.34Å; V206-K208 PolarHBondContact O-N 3.42Å
209	Y	94.3	Very high	94.3	Very high	124 Å²	124	70.6 Å²	70.6	49%	0.486	36%	0.364	S	S	.	.	H	α-helix	trans	-112.6	-17.5	-168.3	-57.7	-70.1	0	0	0	114.3	Y205	Y205-Y209 HydrophobicContact CD1-CD2 4.28Å; Y205-Y209 AromaticContact CD2-CD2 3.47Å; Y205-Y209 HydrophobicContact CD2-CD2 3.47Å; Y205-Y209 VanDerWaalsContact CD2-CD2 3.47Å; Y205-Y209 AromaticContact CD2-CE2 3.77Å; Y205-Y209 HydrophobicContact CD2-CE2 3.77Å; Y205-Y209 HydrophobicContact CE1-CD2 4.31Å; Y205-Y209 AromaticContact CE2-CD2 3.5Å; Y205-Y209 HydrophobicContact CE2-CD2 3.5Å; Y205-Y209 VanDerWaalsContact CE2-CD2 3.5Å; Y205-Y209 AromaticContact CE2-CE2 3.88Å; Y205-Y209 HydrophobicContact CE2-CE2 3.88Å; Y205-Y209 HydrophobicContact CE2-CG 4.27Å; Y205-Y209 AromaticContact CG-CD2 3.87Å; Y205-Y209 HydrophobicContact CG-CD2 3.87Å; Y205-Y209 HydrophobicContact CG-CE2 4.49Å; Y205-Y209 AromaticContact CZ-CD2 3.93Å; Y205-Y209 WeakPolarHBondContact O-CB 3.32Å; Y205-Y209 WeakPolarHBondContact O-CD2 3.37Å; Y205-Y209 PolarHBondContact O-N 3.07Å
210	L	92.8	Very high	94.3	Very high	18 Å²	18	73 Å²	73	9%	0.094	39%	0.386	C	S	.	.	S	Bend	trans	-128.6	51.2	-174.1	-61.9	173.3	0	0	0	113.1	V171 I175 Y205 V206 I214	V171-L210 HydrophobicContact CG1-CD1 3.82Å; I175-L210 HydrophobicContact CD1-CD2 3.5Å; I175-L210 VanDerWaalsContact CD1-CD2 3.5Å; Y205-L210 HydrophobicContact CD1-CD1 4.23Å; Y205-L210 HydrophobicContact CE1-CD1 3.88Å; Y205-L210 HydrophobicContact CE1-CG 4.34Å; V206-L210 CarbonylContact O-C 3.58Å; V206-L210 VanDerWaalsContact O-C 3.24Å; V206-L210 WeakPolarHBondContact O-CA 3.45Å; V206-L210 PolarHBondContact O-N 2.85Å; L210-I214 HydrophobicContact CB-CD1 3.57Å; L210-I214 HydrophobicContact CB-CG1 4.14Å; L210-I214 HydrophobicContact CD1-CD1 3.43Å; L210-I214 VanDerWaalsContact CD1-CD1 3.43Å; L210-I214 HydrophobicContact CD2-CD1 4.38Å; L210-I214 HydrophobicContact CG-CD1 3.97Å
211	P	85.5	Confident	94.4	Very high	103 Å²	103	76.7 Å²	76.7	67%	0.669	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	138.8	-174.2	29	-35.5	0	0	0	112.6	K213	P211-K213 PolarHBondContact O-N 3.27Å
212	G	83.2	Confident	94.3	Very high	85 Å²	85	73.4 Å²	73.4	88%	0.876	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	-19.7	159.2	0	0	0	0	0	117.9
213	K	87.4	Confident	94.2	Very high	78 Å²	78	75.2 Å²	75.2	34%	0.339	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-5.5	178.8	-71.2	-163	174.7	-162.1	0	115.3	A180 L183 E185 I186 P211	A180-K213 PolarHBondContact O-NZ 3.16Å; L183-K213 PolarHBondContact O-NZ 3.47Å; E185-K213 CarbonylContact C-O 3.58Å; E185-K213 WeakPolarHBondContact CA-O 3.33Å; I186-K213 PolarHBondContact N-O 3.19Å; P211-K213 PolarHBondContact O-N 3.27Å
214	I	96.2	Very high	94.2	Very high	21 Å²	21	71.9 Å²	71.9	11%	0.108	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.8	-176.9	-52.6	-162.4	0	0	0	110.5	V171 I175 I186 L188 V206 L210	V171-I214 HydrophobicContact CG1-CD1 3.43Å; V171-I214 VanDerWaalsContact CG1-CD1 3.43Å; I175-I214 HydrophobicContact CD1-CD1 4.22Å; I186-I214 HydrophobicContact CB-CG1 4.32Å; I186-I214 CarbonylContact O-C 3.5Å; I186-I214 WeakPolarHBondContact O-CA 3.48Å; L188-I214 HydrophobicContact CD1-CG2 3.92Å; L188-I214 HydrophobicContact CG-CG2 3.98Å; V206-I214 HydrophobicContact CG1-CB 3.85Å; V206-I214 HydrophobicContact CG1-CG2 3.83Å; V206-I214 HydrophobicContact CG2-CG2 4.28Å; L210-I214 HydrophobicContact CB-CD1 3.57Å; L210-I214 HydrophobicContact CB-CG1 4.14Å; L210-I214 HydrophobicContact CD1-CD1 3.43Å; L210-I214 VanDerWaalsContact CD1-CD1 3.43Å; L210-I214 HydrophobicContact CD2-CD1 4.38Å; L210-I214 HydrophobicContact CG-CD1 3.97Å
215	K	96.4	Very high	94.1	Very high	86 Å²	86	67 Å²	67	37%	0.374	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.4	171.4	-64.8	175.2	-179.7	167.9	0	108.9	E185 I186 I187 L188	E185-K215 WeakPolarHBondContact OE2-CD 3.01Å; E185-K215 WeakPolarHBondContact OE2-CE 3.35Å; E185-K215 IonicContact OE2-NZ 3.61Å; E185-K215 PolarHBondContact OE2-NZ 3.02Å; I186-K215 PolarHBondContact O-N 3.05Å; I187-K215 CarbonylContact C-O 3.56Å; I187-K215 WeakPolarHBondContact CA-O 3.37Å; L188-K215 PolarHBondContact N-O 3.09Å
216	V	97.3	Very high	94	Very high	38 Å²	38	65.3 Å²	65.3	23%	0.23	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.3	172.6	-171.9	0	0	0	0	108.5	L188 V206 R218	L188-V216 HydrophobicContact CB-CG2 4.43Å; L188-V216 HydrophobicContact CD1-CG2 4.34Å; L188-V216 CarbonylContact O-C 3.56Å; L188-V216 WeakPolarHBondContact O-CA 3.37Å; V206-V216 HydrophobicContact CG1-CG2 4.42Å; V206-V216 HydrophobicContact CG2-CG2 4.16Å; V216-R218 VanDerWaalsContact CG1-NE 3.35Å
217	I	97.9	Very high	94.1	Very high	32 Å²	32	67.3 Å²	67.3	16%	0.164	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126	178.3	-52.2	-58.8	0	0	0	107.7	I187 L188 V189 D190 I231	I187-I217 HydrophobicContact CG2-CG1 3.84Å; L188-I217 PolarHBondContact O-N 3.13Å; V189-I217 WeakPolarHBondContact CA-O 3.49Å; D190-I217 PolarHBondContact N-O 3.38Å; I217-I231 HydrophobicContact CG2-CG2 3.93Å
218	R	97.8	Very high	94.2	Very high	77 Å²	77	59.6 Å²	59.6	29%	0.291	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.4	-177.7	-56.4	-63	-173.7	171.3	-3.8	110.5	D190 L198 K199 D203 V216	D190-R218 VanDerWaalsContact CB-CD 3.49Å; D190-R218 VanDerWaalsContact CG-NH1 3.26Å; D190-R218 WeakPolarHBondContact OD2-CD 3.29Å; D190-R218 IonicContact OD2-CZ 3.91Å; D190-R218 IonicContact OD2-NE 2.84Å; D190-R218 IonicContact OD2-NH1 2.78Å; D190-R218 PolarHBondContact OD2-NH1 2.81Å; L198-R218 PolarHBondContact O-NH1 3.05Å; L198-R218 PolarHBondContact O-NH2 2.87Å; K199-R218 PolarHBondContact O-NH2 3.24Å; D203-R218 IonicContact OD1-CZ 2.82Å; D203-R218 IonicContact OD1-NE 3.34Å; D203-R218 IonicContact OD1-NH2 3.48Å; D203-R218 PolarHBondContact OD1-NH2 3.14Å; D203-R218 IonicContact OD2-NH2 3.74Å; V216-R218 VanDerWaalsContact CG1-NE 3.35Å
219	N	96.8	Very high	94.4	Very high	18 Å²	18	52.8 Å²	52.8	10%	0.096	28%	0.277	C	S	.	.			trans	-73.8	144.8	170.4	-66.4	-11.6	0	0	0	110	D190 D191 K221 E223 I231	D190-N219 WeakPolarHBondContact O-CB 3.4Å; D190-N219 PolarHBondContact O-N 3.06Å; D191-N219 PolarHBondContact OD1-ND2 3.01Å; D191-N219 VanDerWaalsContact OD1-ND2 3.09Å; N219-K221 VanDerWaalsContact C-N 3.33Å; N219-K221 WeakPolarHBondContact CB-O 3.28Å; N219-E223 HydrophobicContact CB-CG 4.46Å; N219-I231 WeakPolarHBondContact OD1-CD1 3.43Å
220	T	94.8	Very high	94.6	Very high	140 Å²	140	48 Å²	48	86%	0.859	26%	0.26	S	S	*	.	S	Bend	trans	-85.4	-9.6	177.8	54	0	0	0	0	113.6
221	K	94.9	Very high	94.8	Very high	115 Å²	115	49.1 Å²	49.1	50%	0.5	27%	0.265	S	S	.	.	S	Bend	trans	-150.5	158.5	174.3	66.6	178.6	-176.7	177	0	108.6	D192 N219 E223	D192-K221 WeakPolarHBondContact OD2-CA 3.43Å; N219-K221 VanDerWaalsContact C-N 3.33Å; N219-K221 WeakPolarHBondContact CB-O 3.28Å; K221-E223 WeakPolarHBondContact CE-OE1 3.04Å; K221-E223 WeakPolarHBondContact CE-OE2 3.37Å; K221-E223 HydrophobicContact CG-CG 4.29Å; K221-E223 IonicContact NZ-OE1 3.9Å; K221-E223 IonicContact NZ-OE2 2.7Å; K221-E223 PolarHBondContact O-N 3.33Å
222	R	94.3	Very high	95.4	Very high	41 Å²	41	44.2 Å²	44.2	16%	0.155	23%	0.233	C	C	.	.			trans	-67	99.3	173.1	-168.8	156.7	178.1	-117.2	-5.5	112.4	D192 I349 G387 P389	D192-R222 HydrophobicContact CB-CB 4.2Å; D192-R222 PolarHBondContact OD2-N 2.77Å; D192-R222 VanDerWaalsContact OD2-N 3.08Å; R222-I349 HydrophobicContact CG-CD1 4.38Å; R222-G387 VanDerWaalsContact CZ-O 3.26Å; R222-G387 PolarHBondContact NH1-O 3.09Å; R222-G387 PolarHBondContact NH2-O 2.9Å; R222-P389 HydrophobicContact CG-CG 4.41Å
223	E	95.3	Very high	96.2	Very high	38 Å²	38	40.2 Å²	40.2	18%	0.178	19%	0.192	C	C	.	.			trans	-85.4	-28.5	-176.9	-71.4	-71.9	-172.6	0	0	112.7	D191 N219 K221 R227 I231	D191-E223 WeakPolarHBondContact OD1-CA 3.2Å; D191-E223 WeakPolarHBondContact OD1-CB 3.26Å; D191-E223 PolarHBondContact OD1-N 2.93Å; N219-E223 HydrophobicContact CB-CG 4.46Å; K221-E223 WeakPolarHBondContact CE-OE1 3.04Å; K221-E223 WeakPolarHBondContact CE-OE2 3.37Å; K221-E223 HydrophobicContact CG-CG 4.29Å; K221-E223 IonicContact NZ-OE1 3.9Å; K221-E223 IonicContact NZ-OE2 2.7Å; K221-E223 PolarHBondContact O-N 3.33Å; E223-R227 HydrophobicContact CB-CB 3.82Å; E223-R227 PolarHBondContact O-NH1 2.94Å; E223-R227 WeakPolarHBondContact OE2-CD 3.25Å; E223-R227 IonicContact OE2-NH1 2.76Å; E223-I231 HydrophobicContact CG-CD1 4.09Å
224	G	94.4	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	100.3	163.6	-175.2	0	0	0	0	0	114.2	D191 I226 R227 G228	D191-G224 VanDerWaalsContact CG-N 3.32Å; D191-G224 PolarHBondContact OD1-N 3.11Å; D191-G224 VanDerWaalsContact OD1-N 3.08Å; D191-G224 WeakPolarHBondContact OD2-CA 3.41Å; D191-G224 PolarHBondContact OD2-N 3.41Å; G224-I226 PolarHBondContact O-N 2.89Å; G224-R227 PolarHBondContact O-N 3.5Å; G224-G228 PolarHBondContact O-N 3.12Å
225	L	94.4	Very high	96.8	Very high	33 Å²	33	43.1 Å²	43.1	17%	0.173	22%	0.219	C	C	.	.	H	α-helix	trans	-53.7	-42.5	178.6	178.4	64.2	0	0	0	112	C158 R229 I349	C158-L225 HydrophobicContact CB-CD1 4.11Å; L225-R229 HydrophobicContact CD1-CG 4.38Å; L225-R229 WeakPolarHBondContact O-CB 3.23Å; L225-R229 VanDerWaalsContact O-CG 3.27Å; L225-R229 WeakPolarHBondContact O-CG 3.21Å; L225-R229 PolarHBondContact O-N 2.63Å; L225-I349 WeakPolarHBondContact CB-O 3.39Å; L225-I349 PolarHBondContact N-O 3.28Å
226	I	95.9	Very high	96.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-52.5	-172.8	-59.3	158.3	0	0	0	110.7	G224 R229 M230 Y343 M347 E353	G224-I226 PolarHBondContact O-N 2.89Å; I226-R229 PolarHBondContact O-N 2.87Å; I226-M230 HydrophobicContact CG2-CE 4.48Å; I226-M230 PolarHBondContact O-N 2.79Å; I226-Y343 HydrophobicContact CG2-CD1 4.42Å; I226-Y343 HydrophobicContact CG2-CD2 4.41Å; I226-Y343 HydrophobicContact CG2-CG 3.92Å; I226-M347 HydrophobicContact CD1-CB 3.59Å; I226-E353 HydrophobicContact CD1-CB 3.91Å; I226-E353 HydrophobicContact CD1-CG 4.37Å; I226-E353 HydrophobicContact CG1-CB 3.72Å; I226-E353 HydrophobicContact CG1-CG 3.8Å
227	R	97.2	Very high	96.9	Very high	57 Å²	57	41.3 Å²	41.3	22%	0.215	22%	0.216	C	C	.	.	H	α-helix	trans	-71.9	-37	178.3	-68.9	-177.6	-163.6	120.2	7	111.5	E223 G224 R229 M230 I231 S345 M347 D348	E223-R227 HydrophobicContact CB-CB 3.82Å; E223-R227 PolarHBondContact O-NH1 2.94Å; E223-R227 WeakPolarHBondContact OE2-CD 3.25Å; E223-R227 IonicContact OE2-NH1 2.76Å; G224-R227 PolarHBondContact O-N 3.5Å; R227-R229 VanDerWaalsContact C-N 3.28Å; R227-R229 PolarHBondContact O-N 2.78Å; R227-M230 HydrophobicContact CB-CE 4.22Å; R227-M230 HydrophobicContact CG-CE 3.77Å; R227-M230 PolarHBondContact O-N 3.19Å; R227-M230 VanDerWaalsContact O-N 3.08Å; R227-I231 VanDerWaalsContact O-CG1 3.31Å; R227-I231 WeakPolarHBondContact O-CG1 3.5Å; R227-I231 PolarHBondContact O-N 3.38Å; R227-S345 PolarHBondContact NE-O 2.79Å; R227-S345 PolarHBondContact NH2-O 2.99Å; R227-M347 PolarHBondContact NH2-O 2.89Å; R227-D348 IonicContact CZ-OD1 3.91Å; R227-D348 IonicContact NH1-OD1 2.72Å; R227-D348 IonicContact NH2-OD1 2.64Å; R227-D348 PolarHBondContact NH2-OD1 2.85Å
228	G	97.3	Very high	96.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-54.5	-42.9	171.8	0	0	0	0	0	112.4	G224 I231 G232	G224-G228 PolarHBondContact O-N 3.12Å; G228-I231 PolarHBondContact O-N 3.15Å; G228-G232 PolarHBondContact O-N 3.25Å
229	R	97.9	Very high	97	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.011	22%	0.22	C	C	.	.	H	α-helix	trans	-65.3	-40.4	175	-76.2	176.3	178	-173.4	-7	113	C158 L225 I226 R227 I231 G232 A233 F243 D245 G327 G328 Y343	C158-R229 VanDerWaalsContact SG-CG 3.6Å; C158-R229 PolarHBondContact SG-N 2.81Å; C158-R229 VanDerWaalsContact SG-N 3.39Å; L225-R229 HydrophobicContact CD1-CG 4.38Å; L225-R229 WeakPolarHBondContact O-CB 3.23Å; L225-R229 VanDerWaalsContact O-CG 3.27Å; L225-R229 WeakPolarHBondContact O-CG 3.21Å; L225-R229 PolarHBondContact O-N 2.63Å; I226-R229 PolarHBondContact O-N 2.87Å; R227-R229 VanDerWaalsContact C-N 3.28Å; R227-R229 PolarHBondContact O-N 2.78Å; R229-I231 VanDerWaalsContact C-N 3.34Å; R229-G232 PolarHBondContact O-N 3.41Å; R229-A233 VanDerWaalsContact O-CB 3.3Å; R229-A233 WeakPolarHBondContact O-CB 3.44Å; R229-A233 PolarHBondContact O-N 2.75Å; R229-F243 HydrophobicContact CB-CD1 4.03Å; R229-F243 HydrophobicContact CB-CE1 3.66Å; R229-F243 HydrophobicContact CB-CZ 4.45Å; R229-F243 HydrophobicContact CG-CD1 3.72Å; R229-F243 HydrophobicContact CG-CE1 3.91Å; R229-D245 IonicContact NH2-OD1 3.65Å; R229-D245 PolarHBondContact NH2-OD1 3.25Å; R229-G327 PolarHBondContact NH1-O 3.05Å; R229-G327 PolarHBondContact NH2-O 3.12Å; R229-G328 PolarHBondContact NH2-O 3.34Å; R229-Y343 HydrophobicContact CB-CE2 4.26Å; R229-Y343 PolarHBondContact NH1-OH 2.86Å
230	M	98.2	Very high	97.1	Very high	23 Å²	23	40.6 Å²	40.6	11%	0.113	22%	0.215	C	C	.	.	H	α-helix	trans	-65.3	-38.8	175.2	-67.5	-171.6	-67	0	0	111.9	I226 R227 A233 A234 F337 Q342 Y343	I226-M230 HydrophobicContact CG2-CE 4.48Å; I226-M230 PolarHBondContact O-N 2.79Å; R227-M230 HydrophobicContact CB-CE 4.22Å; R227-M230 HydrophobicContact CG-CE 3.77Å; R227-M230 PolarHBondContact O-N 3.19Å; R227-M230 VanDerWaalsContact O-N 3.08Å; M230-A233 PolarHBondContact O-N 2.84Å; M230-A234 WeakPolarHBondContact O-CB 3.26Å; M230-A234 PolarHBondContact O-N 2.73Å; M230-F337 HydrophobicContact CG-CZ 4.46Å; M230-Q342 HydrophobicContact CG-CB 4.2Å; M230-Q342 HydrophobicContact SD-CB 3.99Å; M230-Y343 HydrophobicContact CG-CD2 4.21Å
231	I	98.4	Very high	97.3	Very high	42 Å²	42	34 Å²	34	22%	0.215	17%	0.174	C	C	.	.	H	α-helix	trans	-62.2	-47.5	174.5	-68.9	165.3	0	0	0	110.1	V189 I217 N219 E223 R227 G228 R229 A233 A234 H235	V189-I231 HydrophobicContact CG1-CG2 4.28Å; I217-I231 HydrophobicContact CG2-CG2 3.93Å; N219-I231 WeakPolarHBondContact OD1-CD1 3.43Å; E223-I231 HydrophobicContact CG-CD1 4.09Å; R227-I231 VanDerWaalsContact O-CG1 3.31Å; R227-I231 WeakPolarHBondContact O-CG1 3.5Å; R227-I231 PolarHBondContact O-N 3.38Å; G228-I231 PolarHBondContact O-N 3.15Å; R229-I231 VanDerWaalsContact C-N 3.34Å; I231-A233 PolarHBondContact O-N 3.2Å; I231-A234 PolarHBondContact O-N 3.03Å; I231-H235 PolarHBondContact O-N 3.08Å; I231-H235 PolarHBondContact O-ND1 3.45Å
232	G	98.4	Very high	97.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-43.7	175.7	0	0	0	0	0	112.6	G228 R229 A234 H235 A236	G228-G232 PolarHBondContact O-N 3.25Å; R229-G232 PolarHBondContact O-N 3.41Å; G232-A234 VanDerWaalsContact C-N 3.3Å; G232-A234 PolarHBondContact O-N 3.06Å; G232-H235 PolarHBondContact O-N 3.22Å; G232-A236 PolarHBondContact O-N 3.47Å; G232-A236 VanDerWaalsContact O-N 3.11Å
233	A	98.4	Very high	97.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-34.7	176.1	0	0	0	0	0	113	R229 M230 I231 H235 A236 L241 F243 F337	R229-A233 VanDerWaalsContact O-CB 3.3Å; R229-A233 WeakPolarHBondContact O-CB 3.44Å; R229-A233 PolarHBondContact O-N 2.75Å; M230-A233 PolarHBondContact O-N 2.84Å; I231-A233 PolarHBondContact O-N 3.2Å; A233-H235 VanDerWaalsContact C-N 3.31Å; A233-H235 PolarHBondContact O-N 3.36Å; A233-A236 WeakPolarHBondContact O-CB 3.33Å; A233-A236 PolarHBondContact O-N 3.12Å; A233-L241 HydrophobicContact CB-CD1 3.76Å; A233-L241 HydrophobicContact CB-CD2 4.33Å; A233-F243 HydrophobicContact CB-CZ 4.15Å; A233-F337 HydrophobicContact CB-CD1 4.06Å; A233-F337 HydrophobicContact CB-CE1 3.66Å
234	A	98.2	Very high	97.8	Very high	73 Å²	73	25 Å²	25	60%	0.603	14%	0.136	S	C	*	.	H	α-helix	trans	-68.9	-28.4	176.4	0	0	0	0	0	113	M230 I231 G232	M230-A234 WeakPolarHBondContact O-CB 3.26Å; M230-A234 PolarHBondContact O-N 2.73Å; I231-A234 PolarHBondContact O-N 3.03Å; G232-A234 VanDerWaalsContact C-N 3.3Å; G232-A234 PolarHBondContact O-N 3.06Å
235	H	98.2	Very high	98	Very high	88 Å²	88	26.2 Å²	26.2	41%	0.407	14%	0.143	S	C	.	.	H	α-helix	trans	-87.6	-12.3	175.5	-69	82.7	0	0	0	113.3	I187 I231 G232 A233	I187-H235 HydrophobicContact CD1-CB 4.17Å; I231-H235 PolarHBondContact O-N 3.08Å; I231-H235 PolarHBondContact O-ND1 3.45Å; G232-H235 PolarHBondContact O-N 3.22Å; A233-H235 VanDerWaalsContact C-N 3.31Å; A233-H235 PolarHBondContact O-N 3.36Å
236	A	98.5	Very high	98.2	Very high	5 Å²	5	25 Å²	25	4%	0.041	14%	0.136	C	C	.	.			trans	-75.6	137.5	-179.2	0	0	0	0	0	112.5	I187 G232 A233 L241 R334	I187-A236 VanDerWaalsContact CD1-CA 3.48Å; I187-A236 HydrophobicContact CD1-CB 3.77Å; G232-A236 PolarHBondContact O-N 3.47Å; G232-A236 VanDerWaalsContact O-N 3.11Å; A233-A236 WeakPolarHBondContact O-CB 3.33Å; A233-A236 PolarHBondContact O-N 3.12Å; A236-L241 HydrophobicContact CB-CD2 3.37Å; A236-R334 WeakPolarHBondContact O-CD 3.44Å
237	T	98.2	Very high	98.3	Very high	81 Å²	81	25.7 Å²	25.7	50%	0.497	14%	0.14	S	C	.	.			trans	-120.1	-11.2	-177.2	52.9	0	0	0	0	113.7	H184 E185	H184-T237 PolarHBondContact CD2-OG1 3.38Å; H184-T237 PolarHBondContact NE2-OG1 2.95Å; E185-T237 PolarHBondContact OE1-N 3.36Å; E185-T237 PolarHBondContact OE1-OG1 3.39Å
238	G	98.2	Very high	98.4	Very high	2 Å²	2	23 Å²	23	2%	0.021	13%	0.13	C	C	.	.	S	Bend	trans	-64.7	164.3	172.1	0	0	0	0	0	112.4	S154 H184 R334	S154-G238 VanDerWaalsContact OG-CA 3.32Å; S154-G238 WeakPolarHBondContact OG-CA 3.31Å; S154-G238 PolarHBondContact OG-N 3.47Å; H184-G238 PolarHBondContact CD2-N 3.27Å; G238-R334 WeakPolarHBondContact O-CD 3.34Å; G238-R334 PolarHBondContact O-NE 3.4Å
239	E	98.6	Very high	98.4	Very high	110 Å²	110	23.1 Å²	23.1	51%	0.514	13%	0.13	S	C	.	.	S	Bend	trans	-75.8	-35.7	-178.5	-172.8	177.6	168.6	0	0	111.7	P151 A152 R334	P151-E239 HydrophobicContact CB-CB 4.09Å; P151-E239 HydrophobicContact CB-CG 4.1Å; P151-E239 VanDerWaalsContact CB-OE2 3.28Å; P151-E239 WeakPolarHBondContact CB-OE2 3.42Å; A152-E239 PolarHBondContact O-N 2.68Å; E239-R334 WeakPolarHBondContact O-CB 3.46Å; E239-R334 PolarHBondContact O-N 3.38Å
240	V	98.9	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.1	176.9	175.6	0	0	0	0	110.3	P151 A152 A153 S154 V242 L259 I262 A331	P151-V240 HydrophobicContact CB-CG2 4.02Å; P151-V240 HydrophobicContact CG-CG2 3.78Å; A152-V240 PolarHBondContact O-N 2.89Å; A152-V240 VanDerWaalsContact O-N 3.14Å; A153-V240 CarbonylContact C-O 3.5Å; A153-V240 VanDerWaalsContact CA-O 3.3Å; A153-V240 WeakPolarHBondContact CA-O 3.37Å; A153-V240 HydrophobicContact CB-CB 4.32Å; S154-V240 PolarHBondContact N-O 3.47Å; V240-V242 HydrophobicContact CG1-CG2 4.11Å; V240-L259 HydrophobicContact CB-CD2 3.89Å; V240-L259 HydrophobicContact CG1-CD2 3.78Å; V240-L259 HydrophobicContact CG2-CD2 3.93Å; V240-I262 HydrophobicContact CG1-CD1 3.61Å; V240-I262 HydrophobicContact CG2-CD1 4.3Å; V240-I262 HydrophobicContact CG2-CG2 3.92Å; V240-A331 HydrophobicContact CG1-CB 4.13Å
241	L	98.9	Very high	98.5	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	132.5	166	-63.1	174.9	0	0	0	108.7	A233 A236 F243 A331 M332 R334 F337	A233-L241 HydrophobicContact CB-CD1 3.76Å; A233-L241 HydrophobicContact CB-CD2 4.33Å; A236-L241 HydrophobicContact CB-CD2 3.37Å; L241-F243 HydrophobicContact CB-CE2 3.95Å; L241-F243 HydrophobicContact CB-CZ 4.35Å; L241-F243 HydrophobicContact CD1-CE2 4.2Å; L241-F243 HydrophobicContact CD1-CZ 4.09Å; L241-A331 CarbonylContact O-C 3.54Å; L241-A331 WeakPolarHBondContact O-CA 3.24Å; L241-M332 PolarHBondContact N-O 3.42Å; L241-M332 PolarHBondContact O-N 2.81Å; L241-R334 HydrophobicContact CD1-CB 4.31Å; L241-R334 HydrophobicContact CD1-CG 4.08Å; L241-R334 HydrophobicContact CD2-CB 4.35Å; L241-R334 HydrophobicContact CD2-CG 4.03Å; L241-R334 HydrophobicContact CG-CB 3.88Å; L241-R334 HydrophobicContact CG-CG 3.93Å; L241-F337 HydrophobicContact CD1-CB 3.96Å; L241-F337 HydrophobicContact CD1-CD1 3.61Å; L241-F337 HydrophobicContact CD1-CE1 4.32Å; L241-F337 HydrophobicContact CD1-CG 3.93Å
242	V	98.9	Very high	98.4	Very high	1 Å²	1	23 Å²	23	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	113.7	170.2	-175.3	0	0	0	0	108.3	A153 S154 V155 V156 V240 L244 W254 L255 A331	A153-V242 HydrophobicContact CB-CG2 3.8Å; S154-V242 PolarHBondContact O-N 3.43Å; V155-V242 CarbonylContact C-O 3.59Å; V155-V242 VanDerWaalsContact CA-O 3.3Å; V155-V242 WeakPolarHBondContact CA-O 3.35Å; V155-V242 HydrophobicContact CG2-CB 4.24Å; V156-V242 PolarHBondContact N-O 3.01Å; V240-V242 HydrophobicContact CG1-CG2 4.11Å; V242-L244 HydrophobicContact CG1-CG 4.44Å; V242-W254 HydrophobicContact CG1-CH2 3.67Å; V242-W254 HydrophobicContact CG1-CZ3 3.78Å; V242-L255 HydrophobicContact CG2-CD1 3.85Å; V242-A331 HydrophobicContact CB-CB 4.44Å; V242-A331 HydrophobicContact CG1-CB 4.43Å; V242-A331 HydrophobicContact CG2-CB 3.85Å
243	F	98.8	Very high	98.3	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	133	175.5	-63.3	-81.9	0	0	0	109.7	V156 R229 A233 L241 L329 F330 F337	V156-F243 HydrophobicContact CB-CD1 3.79Å; V156-F243 HydrophobicContact CB-CE1 3.94Å; V156-F243 HydrophobicContact CG1-CD1 3.99Å; V156-F243 HydrophobicContact CG1-CE1 3.97Å; V156-F243 HydrophobicContact CG2-CE1 4.3Å; V156-F243 WeakPolarHBondContact O-CA 3.43Å; R229-F243 HydrophobicContact CB-CD1 4.03Å; R229-F243 HydrophobicContact CB-CE1 3.66Å; R229-F243 HydrophobicContact CB-CZ 4.45Å; R229-F243 HydrophobicContact CG-CD1 3.72Å; R229-F243 HydrophobicContact CG-CE1 3.91Å; A233-F243 HydrophobicContact CB-CZ 4.15Å; L241-F243 HydrophobicContact CB-CE2 3.95Å; L241-F243 HydrophobicContact CB-CZ 4.35Å; L241-F243 HydrophobicContact CD1-CE2 4.2Å; L241-F243 HydrophobicContact CD1-CZ 4.09Å; F243-L329 WeakPolarHBondContact O-CA 3.23Å; F243-F330 HydrophobicContact CB-CD1 4.11Å; F243-F330 HydrophobicContact CB-CE1 3.85Å; F243-F330 HydrophobicContact CB-CZ 4.38Å; F243-F330 HydrophobicContact CD2-CD1 4.17Å; F243-F330 HydrophobicContact CD2-CD2 4.15Å; F243-F330 AromaticContact CD2-CE1 3.5Å; F243-F330 HydrophobicContact CD2-CE1 3.5Å; F243-F330 VanDerWaalsContact CD2-CE1 3.5Å; F243-F330 AromaticContact CD2-CE2 3.49Å; F243-F330 HydrophobicContact CD2-CE2 3.49Å; F243-F330 VanDerWaalsContact CD2-CE2 3.49Å; F243-F330 HydrophobicContact CD2-CG 4.46Å; F243-F330 AromaticContact CD2-CZ 3.12Å; F243-F330 HydrophobicContact CD2-CZ 3.12Å; F243-F330 HydrophobicContact CE2-CE1 4.28Å; F243-F330 AromaticContact CE2-CE2 3.76Å; F243-F330 HydrophobicContact CE2-CE2 3.76Å; F243-F330 AromaticContact CE2-CZ 3.48Å; F243-F330 HydrophobicContact CE2-CZ 3.48Å; F243-F330 VanDerWaalsContact CE2-CZ 3.48Å; F243-F330 AromaticContact CG-CE1 3.87Å; F243-F330 HydrophobicContact CG-CE1 3.87Å; F243-F330 AromaticContact CG-CZ 3.92Å; F243-F330 HydrophobicContact CG-CZ 3.92Å; F243-F330 PolarHBondContact N-O 3.41Å; F243-F330 PolarHBondContact O-N 3.28Å; F243-F337 HydrophobicContact CZ-CZ 4.41Å
244	L	98.8	Very high	98.3	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.016	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146	172.1	-66.4	179.5	0	0	0	109.8	V155 V156 I157 V174 V242 V250 W254 L329 V376	V155-L244 HydrophobicContact CG1-CD1 3.8Å; V155-L244 HydrophobicContact CG1-CG 4.16Å; V156-L244 PolarHBondContact O-N 3.13Å; V156-L244 VanDerWaalsContact O-N 3.08Å; I157-L244 HydrophobicContact CG1-CB 4.18Å; V174-L244 HydrophobicContact CG2-CD1 3.64Å; V242-L244 HydrophobicContact CG1-CG 4.44Å; L244-V250 HydrophobicContact CD1-CG1 4Å; L244-W254 HydrophobicContact CD1-CH2 3.79Å; L244-W254 HydrophobicContact CD1-CZ2 4.48Å; L244-W254 HydrophobicContact CD1-CZ3 4.27Å; L244-W254 HydrophobicContact CD2-CH2 4.33Å; L244-W254 HydrophobicContact CD2-CZ3 4.01Å; L244-W254 HydrophobicContact CG-CH2 4.33Å; L244-L329 HydrophobicContact CD2-CB 4.29Å; L244-L329 HydrophobicContact CD2-CD2 3.85Å; L244-L329 HydrophobicContact CD2-CG 3.91Å; L244-V376 HydrophobicContact CD2-CG1 4.31Å
245	D	98.1	Very high	98.4	Very high	27 Å²	27	22.1 Å²	22.1	14%	0.144	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	154.1	168	-67.4	-21.8	0	0	0	110	R229 H247 C248 G328 H378	R229-D245 IonicContact NH2-OD1 3.65Å; R229-D245 PolarHBondContact NH2-OD1 3.25Å; D245-H247 PolarHBondContact O-N 3.19Å; D245-C248 PolarHBondContact O-SG 2.82Å; D245-G328 WeakPolarHBondContact OD2-CA 3.37Å; D245-H378 IonicContact OD2-CD2 2.7Å; D245-H378 IonicContact OD2-NE2 3.36Å; D245-H378 PolarHBondContact OD2-NE2 3.2Å
246	S	98.2	Very high	98.4	Very high	6 Å²	6	19.3 Å²	19.3	4%	0.042	10%	0.104	C	C	.	.	S	Bend	trans	-73.2	10.6	-172.7	54.7	0	0	0	0	116.3	E162 A166 L167 T170	E162-S246 WeakPolarHBondContact CG-O 3.44Å; E162-S246 PolarHBondContact OE2-OG 3.32Å; A166-S246 CarbonylContact C-O 3.56Å; L167-S246 WeakPolarHBondContact CA-O 3.15Å; T170-S246 VanDerWaalsContact OG1-C 3.24Å; T170-S246 PolarHBondContact OG1-O 3.24Å; T170-S246 VanDerWaalsContact OG1-O 3.13Å
247	H	98.3	Very high	98.3	Very high	17 Å²	17	19.3 Å²	19.3	8%	0.079	10%	0.103	C	C	.	.	S	Bend	trans	-142.1	53.6	-178.6	39.3	-88	0	0	0	109.8	E162 A166 T170 D245 H378 I379 R381	E162-H247 IonicContact OE2-CE1 3.72Å; E162-H247 IonicContact OE2-CG 3.22Å; E162-H247 IonicContact OE2-ND1 2.61Å; E162-H247 PolarHBondContact OE2-ND1 2.76Å; A166-H247 HydrophobicContact CB-CB 4.31Å; T170-H247 WeakPolarHBondContact OG1-CA 3.25Å; T170-H247 PolarHBondContact OG1-N 2.82Å; D245-H247 PolarHBondContact O-N 3.19Å; H247-H378 AromaticContact CD2-CD2 3.88Å; H247-H378 AromaticContact CD2-CE1 3.91Å; H247-H378 AromaticContact CD2-NE2 3.41Å; H247-H378 PolarHBondContact CD2-NE2 2.85Å; H247-H378 AromaticContact NE2-CE1 3.87Å; H247-H378 AromaticContact NE2-NE2 3.28Å; H247-H378 PolarHBondContact NE2-NE2 3.08Å; H247-I379 HydrophobicContact CB-CB 4.14Å; H247-I379 HydrophobicContact CB-CD1 3.95Å; H247-I379 HydrophobicContact CB-CG1 4.16Å; H247-I379 PolarHBondContact O-N 3.01Å; H247-R381 PolarHBondContact ND1-NH2 3.39Å
248	C	98.7	Very high	98.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	157.3	-179.8	-63.6	0	0	0	0	111.4	T170 D245 V376 G377	T170-C248 WeakPolarHBondContact CA-O 3.25Å; T170-C248 WeakPolarHBondContact CB-O 3.41Å; T170-C248 HydrophobicContact CG2-CB 4.03Å; T170-C248 PolarHBondContact OG1-N 3.15Å; T170-C248 PolarHBondContact OG1-O 3Å; T170-C248 VanDerWaalsContact OG1-O 3.07Å; D245-C248 PolarHBondContact O-SG 2.82Å; C248-V376 HydrophobicContact CB-CG1 3.85Å; C248-G377 CarbonylContact C-O 3.56Å; C248-G377 WeakPolarHBondContact CA-O 3.39Å; C248-G377 WeakPolarHBondContact CB-O 3.2Å
249	E	98.8	Very high	98.4	Very high	3 Å²	3	15.4 Å²	15.4	1%	0.014	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	115.8	168	-65.2	175.9	-120.6	0	0	108.9	R131 V133 R169 I277 Y284 G377	R131-E249 IonicContact CZ-OE1 3.67Å; R131-E249 VanDerWaalsContact CZ-OE1 3.25Å; R131-E249 IonicContact CZ-OE2 2.8Å; R131-E249 VanDerWaalsContact NE-CD 3.34Å; R131-E249 IonicContact NE-OE1 3.79Å; R131-E249 PolarHBondContact NE-OE1 2.82Å; R131-E249 IonicContact NE-OE2 3.72Å; R131-E249 PolarHBondContact NE-OE2 2.9Å; R131-E249 VanDerWaalsContact NH2-CD 3.34Å; R131-E249 IonicContact NH2-OE1 2.78Å; R131-E249 PolarHBondContact NH2-OE1 3.38Å; R131-E249 IonicContact NH2-OE2 2.82Å; R131-E249 PolarHBondContact NH2-OE2 2.87Å; V133-E249 HydrophobicContact CG1-CB 4.39Å; V133-E249 WeakPolarHBondContact CG1-OE2 3.44Å; R169-E249 VanDerWaalsContact CD-OE1 3.28Å; R169-E249 WeakPolarHBondContact CD-OE1 3.45Å; R169-E249 HydrophobicContact CG-CG 4.03Å; E249-I277 HydrophobicContact CB-CD1 3.92Å; E249-I277 HydrophobicContact CG-CD1 3.95Å; E249-Y284 HydrophobicContact CB-CE2 4.34Å; E249-Y284 WeakPolarHBondContact O-CE2 3.43Å; E249-G377 PolarHBondContact N-O 3.25Å; E249-G377 PolarHBondContact O-N 2.98Å
250	V	98.8	Very high	98.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	144.9	-176.7	-56	0	0	0	0	110.8	S173 V174 R177 L244 W254 V376	S173-V250 WeakPolarHBondContact O-CG2 3.36Å; S173-V250 PolarHBondContact OG-N 3.07Å; V174-V250 HydrophobicContact CG2-CG1 4.03Å; R177-V250 HydrophobicContact CB-CG2 4.01Å; R177-V250 WeakPolarHBondContact CD-O 3.27Å; L244-V250 HydrophobicContact CD1-CG1 4Å; V250-W254 HydrophobicContact CB-CB 4.28Å; V250-W254 HydrophobicContact CB-CD2 3.63Å; V250-W254 HydrophobicContact CB-CE3 4.31Å; V250-W254 HydrophobicContact CB-CG 3.58Å; V250-W254 HydrophobicContact CB-CZ2 4.4Å; V250-W254 HydrophobicContact CG1-CD2 3.67Å; V250-W254 HydrophobicContact CG1-CE3 3.94Å; V250-W254 HydrophobicContact CG1-CG 4.19Å; V250-W254 HydrophobicContact CG1-CH2 4.06Å; V250-W254 HydrophobicContact CG1-CZ2 3.82Å; V250-W254 HydrophobicContact CG1-CZ3 4.12Å; V250-W254 HydrophobicContact CG2-CD2 4.28Å; V250-W254 HydrophobicContact CG2-CG 4.11Å; V250-V376 HydrophobicContact CB-CG2 4.38Å; V250-V376 HydrophobicContact CG1-CG1 3.99Å; V250-V376 HydrophobicContact CG1-CG2 4.06Å
251	N	98	Very high	98.3	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.07	C	C	.	.	P	Polyproline II helix	trans	-85.2	173.8	177.2	-145	-55.7	0	0	0	111.3	P134 T136 M253 W254 Y284 R375	P134-N251 PolarHBondContact O-ND2 2.62Å; T136-N251 PolarHBondContact OG1-ND2 3.18Å; N251-M253 PolarHBondContact O-N 3Å; N251-W254 WeakPolarHBondContact O-CB 3.47Å; N251-W254 PolarHBondContact O-N 2.83Å; N251-Y284 PolarHBondContact ND2-OH 3.07Å; N251-R375 HydrophobicContact CB-CB 3.73Å; N251-R375 VanDerWaalsContact CB-O 3.22Å; N251-R375 WeakPolarHBondContact CB-O 3.37Å; N251-R375 PolarHBondContact N-O 3.46Å
252	V	97.1	Very high	98.3	Very high	63 Å²	63	12.2 Å²	12.2	38%	0.382	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	135.4	172.7	56.4	0	0	0	0	110.7	D135 R137 W254	D135-V252 HydrophobicContact CB-CG1 4.09Å; R137-V252 PolarHBondContact NE-O 3.46Å; V252-W254 PolarHBondContact O-N 2.96Å
253	M	96.6	Very high	98.2	Very high	56 Å²	56	17.2 Å²	17.2	28%	0.276	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	34.7	178.6	-163.7	-174.9	-79.8	0	0	113.2	Y146 N251 L255 Q256 P257	Y146-M253 HydrophobicContact CD2-SD 4.06Å; Y146-M253 HydrophobicContact CE2-CG 4.36Å; Y146-M253 HydrophobicContact CE2-SD 3.64Å; N251-M253 PolarHBondContact O-N 3Å; M253-L255 VanDerWaalsContact C-N 3.35Å; M253-Q256 HydrophobicContact CG-CB 4.27Å; M253-Q256 HydrophobicContact CG-CG 4.43Å; M253-P257 WeakPolarHBondContact O-CD 3.3Å; M253-P257 WeakPolarHBondContact O-CG 3.48Å
254	W	98.4	Very high	98.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.			trans	-68.8	-31.9	-180	74.2	-74	0	0	0	112.8	V174 T178 V242 L244 V250 N251 V252 L258 S374 V376	V174-W254 HydrophobicContact CG1-CZ2 4.42Å; V174-W254 HydrophobicContact CG2-CZ2 4.33Å; T178-W254 PolarHBondContact OG1-NE1 3.45Å; T178-W254 VanDerWaalsContact OG1-NE1 3.12Å; V242-W254 HydrophobicContact CG1-CH2 3.67Å; V242-W254 HydrophobicContact CG1-CZ3 3.78Å; L244-W254 HydrophobicContact CD1-CH2 3.79Å; L244-W254 HydrophobicContact CD1-CZ2 4.48Å; L244-W254 HydrophobicContact CD1-CZ3 4.27Å; L244-W254 HydrophobicContact CD2-CH2 4.33Å; L244-W254 HydrophobicContact CD2-CZ3 4.01Å; L244-W254 HydrophobicContact CG-CH2 4.33Å; V250-W254 HydrophobicContact CB-CB 4.28Å; V250-W254 HydrophobicContact CB-CD2 3.63Å; V250-W254 HydrophobicContact CB-CE3 4.31Å; V250-W254 HydrophobicContact CB-CG 3.58Å; V250-W254 HydrophobicContact CB-CZ2 4.4Å; V250-W254 HydrophobicContact CG1-CD2 3.67Å; V250-W254 HydrophobicContact CG1-CE3 3.94Å; V250-W254 HydrophobicContact CG1-CG 4.19Å; V250-W254 HydrophobicContact CG1-CH2 4.06Å; V250-W254 HydrophobicContact CG1-CZ2 3.82Å; V250-W254 HydrophobicContact CG1-CZ3 4.12Å; V250-W254 HydrophobicContact CG2-CD2 4.28Å; V250-W254 HydrophobicContact CG2-CG 4.11Å; N251-W254 WeakPolarHBondContact O-CB 3.47Å; N251-W254 PolarHBondContact O-N 2.83Å; V252-W254 PolarHBondContact O-N 2.96Å; W254-L258 HydrophobicContact CE3-CD1 4.28Å; W254-L258 HydrophobicContact CZ3-CD1 4.4Å; W254-S374 WeakPolarHBondContact O-CB 3.5Å; W254-S374 PolarHBondContact O-OG 3.21Å; W254-V376 HydrophobicContact CB-CG2 4.47Å; W254-V376 HydrophobicContact CD2-CG2 4.29Å; W254-V376 HydrophobicContact CE3-CG2 3.58Å; W254-V376 HydrophobicContact CZ3-CG2 4.18Å
255	L	98.6	Very high	98.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-86.9	-44.1	-168.9	-176.5	60.5	0	0	0	112.9	A153 T178 L182 V242 M253 P257 L258 L259	A153-L255 HydrophobicContact CB-CD1 4.41Å; A153-L255 HydrophobicContact CB-CD2 4.22Å; T178-L255 HydrophobicContact CG2-CD2 3.41Å; T178-L255 VanDerWaalsContact CG2-CD2 3.41Å; L182-L255 HydrophobicContact CB-CD2 4.14Å; V242-L255 HydrophobicContact CG2-CD1 3.85Å; M253-L255 VanDerWaalsContact C-N 3.35Å; L255-P257 VanDerWaalsContact C-CD 3.43Å; L255-L258 WeakPolarHBondContact O-CA 3.22Å; L255-L258 WeakPolarHBondContact O-CB 3.38Å; L255-L258 PolarHBondContact O-N 2.91Å; L255-L259 HydrophobicContact CD1-CD1 4.15Å; L255-L259 HydrophobicContact CD1-CD2 4.03Å; L255-L259 HydrophobicContact CD1-CG 3.9Å; L255-L259 HydrophobicContact CD2-CD1 3.85Å; L255-L259 HydrophobicContact CG-CD1 3.59Å; L255-L259 HydrophobicContact CG-CD2 4.4Å; L255-L259 HydrophobicContact CG-CG 3.81Å; L255-L259 WeakPolarHBondContact O-CG 3.37Å; L255-L259 PolarHBondContact O-N 3.45Å
256	Q	98.2	Very high	98.1	Very high	29 Å²	29	30.5 Å²	30.5	14%	0.136	15%	0.148	C	C	.	.	H	α-helix	trans	-54.5	-43.8	-174.7	-59.8	87.9	-38.3	0	0	113.6	Y146 L150 P179 L182 M253 L258 L259 A260	Y146-Q256 HydrophobicContact CD2-CB 4.09Å; Y146-Q256 HydrophobicContact CG-CB 4.11Å; L150-Q256 HydrophobicContact CD1-CB 3.86Å; L150-Q256 HydrophobicContact CD1-CG 4.05Å; P179-Q256 VanDerWaalsContact CG-NE2 3.33Å; L182-Q256 HydrophobicContact CD1-CG 3.77Å; M253-Q256 HydrophobicContact CG-CB 4.27Å; M253-Q256 HydrophobicContact CG-CG 4.43Å; Q256-L258 VanDerWaalsContact C-N 3.26Å; Q256-L258 PolarHBondContact O-N 2.68Å; Q256-L259 PolarHBondContact O-N 3.48Å; Q256-A260 WeakPolarHBondContact O-CB 3.3Å; Q256-A260 PolarHBondContact O-N 2.95Å
257	P	97.9	Very high	98.1	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.032	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-32.3	176.7	-17.2	29.2	0	0	0	113.1	Y146 M253 L255 I371 C373	Y146-P257 HydrophobicContact CE1-CB 3.85Å; Y146-P257 HydrophobicContact CE1-CG 4.08Å; Y146-P257 HydrophobicContact CE2-CG 4.14Å; Y146-P257 WeakPolarHBondContact OH-CG 3.32Å; M253-P257 WeakPolarHBondContact O-CD 3.3Å; M253-P257 WeakPolarHBondContact O-CG 3.48Å; L255-P257 VanDerWaalsContact C-CD 3.43Å; P257-I371 HydrophobicContact CB-CG2 3.58Å; P257-C373 HydrophobicContact CB-CB 4.33Å; P257-C373 HydrophobicContact CG-CB 4.19Å
258	L	98.6	Very high	98.1	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-71.2	-48.3	176.6	-56.8	179.2	0	0	0	110.5	W254 L255 Q256 A260 A261 I262 V270 A331 I371 S374	W254-L258 HydrophobicContact CE3-CD1 4.28Å; W254-L258 HydrophobicContact CZ3-CD1 4.4Å; L255-L258 WeakPolarHBondContact O-CA 3.22Å; L255-L258 WeakPolarHBondContact O-CB 3.38Å; L255-L258 PolarHBondContact O-N 2.91Å; Q256-L258 VanDerWaalsContact C-N 3.26Å; Q256-L258 PolarHBondContact O-N 2.68Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 3.34Å; L258-A261 PolarHBondContact O-N 3.26Å; L258-I262 WeakPolarHBondContact O-CG1 3.48Å; L258-I262 PolarHBondContact O-N 2.83Å; L258-V270 HydrophobicContact CB-CG2 3.7Å; L258-V270 HydrophobicContact CD2-CB 4.01Å; L258-V270 HydrophobicContact CD2-CG2 3.77Å; L258-V270 HydrophobicContact CG-CG2 4.28Å; L258-A331 HydrophobicContact CB-CB 4.38Å; L258-A331 HydrophobicContact CD1-CB 4.36Å; L258-I371 HydrophobicContact CD2-CB 3.89Å; L258-I371 HydrophobicContact CD2-CG1 3.79Å; L258-S374 WeakPolarHBondContact CD1-OG 3.4Å; L258-S374 WeakPolarHBondContact CG-OG 3.36Å
259	L	98.7	Very high	98.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.9	-36.7	-178.4	-61.3	178.7	0	0	0	112.4	L150 P151 A153 L182 V240 L255 Q256 A261 I262 R263	L150-L259 HydrophobicContact CB-CB 4.19Å; L150-L259 HydrophobicContact CB-CD1 4.27Å; L150-L259 HydrophobicContact CD1-CB 4.3Å; L150-L259 HydrophobicContact CD2-CB 4.19Å; L150-L259 HydrophobicContact CG-CB 4.46Å; P151-L259 HydrophobicContact CG-CB 4.33Å; P151-L259 HydrophobicContact CG-CD2 4.41Å; P151-L259 VanDerWaalsContact O-CD1 3.29Å; P151-L259 WeakPolarHBondContact O-CD1 3.31Å; A153-L259 HydrophobicContact CB-CD2 4.16Å; L182-L259 HydrophobicContact CB-CD1 4.28Å; L182-L259 HydrophobicContact CD1-CD1 4.17Å; L182-L259 HydrophobicContact CD2-CD1 4.23Å; L182-L259 HydrophobicContact CG-CD1 4.46Å; V240-L259 HydrophobicContact CB-CD2 3.89Å; V240-L259 HydrophobicContact CG1-CD2 3.78Å; V240-L259 HydrophobicContact CG2-CD2 3.93Å; L255-L259 HydrophobicContact CD1-CD1 4.15Å; L255-L259 HydrophobicContact CD1-CD2 4.03Å; L255-L259 HydrophobicContact CD1-CG 3.9Å; L255-L259 HydrophobicContact CD2-CD1 3.85Å; L255-L259 HydrophobicContact CG-CD1 3.59Å; L255-L259 HydrophobicContact CG-CD2 4.4Å; L255-L259 HydrophobicContact CG-CG 3.81Å; L255-L259 WeakPolarHBondContact O-CG 3.37Å; L255-L259 PolarHBondContact O-N 3.45Å; Q256-L259 PolarHBondContact O-N 3.48Å; L259-A261 VanDerWaalsContact C-N 3.33Å; L259-A261 PolarHBondContact O-N 3.43Å; L259-I262 PolarHBondContact O-N 2.94Å; L259-R263 VanDerWaalsContact O-CB 3.31Å; L259-R263 WeakPolarHBondContact O-CB 3.08Å; L259-R263 PolarHBondContact O-N 2.93Å
260	A	98	Very high	98.1	Very high	22 Å²	22	32.7 Å²	32.7	18%	0.182	16%	0.158	C	C	.	.	H	α-helix	trans	-60.3	-43.5	177.9	0	0	0	0	0	111.9	Y146 L150 Q256 L258 R263 E264	Y146-A260 HydrophobicContact CD1-CB 3.76Å; Y146-A260 HydrophobicContact CE1-CB 4.43Å; L150-A260 HydrophobicContact CD2-CB 3.98Å; Q256-A260 WeakPolarHBondContact O-CB 3.3Å; Q256-A260 PolarHBondContact O-N 2.95Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 3.34Å; A260-R263 PolarHBondContact O-N 2.94Å; A260-E264 PolarHBondContact O-N 3.32Å; A260-E264 VanDerWaalsContact O-N 3.13Å
261	A	97.4	Very high	98.1	Very high	18 Å²	18	33 Å²	33	15%	0.149	16%	0.161	C	C	.	.	H	α-helix	trans	-67	-40	177.4	0	0	0	0	0	112.8	L258 L259 R263 E264 D265 V270 I371	L258-A261 PolarHBondContact O-N 3.26Å; L259-A261 VanDerWaalsContact C-N 3.33Å; L259-A261 PolarHBondContact O-N 3.43Å; A261-R263 VanDerWaalsContact C-N 3.34Å; A261-E264 PolarHBondContact O-N 3.07Å; A261-D265 PolarHBondContact O-N 2.84Å; A261-V270 HydrophobicContact CB-CG1 3.75Å; A261-I371 HydrophobicContact CB-CD1 4.32Å
262	I	98.5	Very high	98.1	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-68.4	-35.9	176.9	-63.4	167	0	0	0	111.2	V240 L258 L259 D265 R266 V270 A331 N333	V240-I262 HydrophobicContact CG1-CD1 3.61Å; V240-I262 HydrophobicContact CG2-CD1 4.3Å; V240-I262 HydrophobicContact CG2-CG2 3.92Å; L258-I262 WeakPolarHBondContact O-CG1 3.48Å; L258-I262 PolarHBondContact O-N 2.83Å; L259-I262 PolarHBondContact O-N 2.94Å; I262-D265 CarbonylContact O-C 3.59Å; I262-D265 PolarHBondContact O-N 2.89Å; I262-R266 WeakPolarHBondContact O-CA 3.42Å; I262-R266 PolarHBondContact O-N 2.86Å; I262-V270 HydrophobicContact CD1-CG2 3.79Å; I262-V270 HydrophobicContact CG1-CG2 3.88Å; I262-A331 HydrophobicContact CD1-CB 3.72Å; I262-N333 HydrophobicContact CG2-CB 3.99Å
263	R	97.6	Very high	98.1	Very high	106 Å²	106	30.6 Å²	30.6	40%	0.4	15%	0.146	S	C	.	.	H	α-helix	trans	-64.6	-42.2	177.1	179.5	-173.2	164.4	-173.6	-1.3	111.8	D149 P151 L259 A260 A261 D265	D149-R263 VanDerWaalsContact CG-CZ 3.4Å; D149-R263 PolarHBondContact O-NH1 2.86Å; D149-R263 VanDerWaalsContact O-NH1 3.15Å; D149-R263 IonicContact OD1-CZ 3.51Å; D149-R263 VanDerWaalsContact OD1-CZ 3.27Å; D149-R263 IonicContact OD1-NH1 3.12Å; D149-R263 PolarHBondContact OD1-NH1 3.17Å; D149-R263 IonicContact OD1-NH2 3.21Å; D149-R263 PolarHBondContact OD1-NH2 3.39Å; D149-R263 IonicContact OD2-CZ 3.17Å; D149-R263 IonicContact OD2-NH1 2.71Å; D149-R263 PolarHBondContact OD2-NH1 3.08Å; D149-R263 IonicContact OD2-NH2 2.64Å; D149-R263 PolarHBondContact OD2-NH2 3.33Å; P151-R263 HydrophobicContact CG-CB 4.46Å; L259-R263 VanDerWaalsContact O-CB 3.31Å; L259-R263 WeakPolarHBondContact O-CB 3.08Å; L259-R263 PolarHBondContact O-N 2.93Å; A260-R263 PolarHBondContact O-N 2.94Å; A261-R263 VanDerWaalsContact C-N 3.34Å; R263-D265 VanDerWaalsContact C-N 3.31Å; R263-D265 PolarHBondContact O-N 3.37Å
264	E	97.1	Very high	98.2	Very high	177 Å²	177	28.8 Å²	28.8	83%	0.827	14%	0.137	S	C	*	.	H	α-helix	trans	-62.1	-40.5	179.5	-172.7	-179.7	172.3	0	0	111.6	A260 A261	A260-E264 PolarHBondContact O-N 3.32Å; A260-E264 VanDerWaalsContact O-N 3.13Å; A261-E264 PolarHBondContact O-N 3.07Å
265	D	97.9	Very high	98.2	Very high	42 Å²	42	28.8 Å²	28.8	23%	0.225	14%	0.137	C	C	.	.			trans	-147.3	111.8	176	177.6	-1.9	0	0	0	110.4	A261 I262 R263 H267 T268 K367	A261-D265 PolarHBondContact O-N 2.84Å; I262-D265 CarbonylContact O-C 3.59Å; I262-D265 PolarHBondContact O-N 2.89Å; R263-D265 VanDerWaalsContact C-N 3.31Å; R263-D265 PolarHBondContact O-N 3.37Å; D265-H267 PolarHBondContact O-N 2.86Å; D265-H267 WeakPolarHBondContact OD1-CB 3.31Å; D265-H267 IonicContact OD1-CG 2.75Å; D265-H267 PolarHBondContact OD1-N 3.18Å; D265-H267 IonicContact OD1-ND1 2.74Å; D265-T268 WeakPolarHBondContact CB-OG1 3.06Å; D265-T268 WeakPolarHBondContact O-CB 3.05Å; D265-T268 PolarHBondContact O-N 3.08Å; D265-T268 PolarHBondContact O-OG1 3.24Å; D265-T268 VanDerWaalsContact O-OG1 3.06Å; D265-K367 IonicContact OD2-NZ 2.82Å; D265-K367 PolarHBondContact OD2-NZ 3.39Å
266	R	98.1	Very high	98	Very high	91 Å²	91	31.8 Å²	31.8	34%	0.343	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-19.1	-177.3	83.8	174	-175.6	86.1	-1.7	114	I262 N333 E339	I262-R266 WeakPolarHBondContact O-CA 3.42Å; I262-R266 PolarHBondContact O-N 2.86Å; R266-N333 HydrophobicContact CB-CB 4.22Å; R266-E339 IonicContact CZ-OE1 3.99Å; R266-E339 IonicContact CZ-OE2 2.7Å; R266-E339 VanDerWaalsContact NH1-CD 3.3Å; R266-E339 IonicContact NH1-OE1 2.62Å; R266-E339 PolarHBondContact NH1-OE1 3.4Å; R266-E339 IonicContact NH1-OE2 3.36Å; R266-E339 PolarHBondContact NH1-OE2 3.44Å; R266-E339 VanDerWaalsContact NH2-CD 3.31Å; R266-E339 IonicContact NH2-OE1 2.92Å; R266-E339 PolarHBondContact NH2-OE1 2.8Å; R266-E339 VanDerWaalsContact NH2-OE1 3.12Å; R266-E339 IonicContact NH2-OE2 3.88Å; R266-E339 PolarHBondContact NH2-OE2 3.2Å
267	H	98.5	Very high	97.9	Very high	65 Å²	65	30.4 Å²	30.4	30%	0.301	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	3.6	177	-59.8	144.6	0	0	0	112.6	D265 Y336 G366 K367	D265-H267 PolarHBondContact O-N 2.86Å; D265-H267 WeakPolarHBondContact OD1-CB 3.31Å; D265-H267 IonicContact OD1-CG 2.75Å; D265-H267 PolarHBondContact OD1-N 3.18Å; D265-H267 IonicContact OD1-ND1 2.74Å; H267-Y336 HydrophobicContact CB-CE1 4.22Å; H267-Y336 HydrophobicContact CB-CE2 4.32Å; H267-Y336 AromaticContact CD2-CD2 3.35Å; H267-Y336 WeakPolarHBondContact CD2-CD2 3.45Å; H267-Y336 AromaticContact CD2-CE2 3.35Å; H267-Y336 WeakPolarHBondContact CD2-CE2 3.32Å; H267-Y336 AromaticContact CD2-CG 3.92Å; H267-Y336 AromaticContact CD2-CZ 3.93Å; H267-Y336 WeakPolarHBondContact O-CE1 3.4Å; H267-G366 VanDerWaalsContact O-CA 3.32Å; H267-G366 WeakPolarHBondContact O-CA 3.47Å; H267-K367 PolarHBondContact O-N 2.8Å; H267-K367 VanDerWaalsContact O-N 3.12Å
268	T	98.6	Very high	97.6	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.037	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126.7	174.7	-55.3	0	0	0	0	110.9	D265 V270 F369	D265-T268 WeakPolarHBondContact CB-OG1 3.06Å; D265-T268 WeakPolarHBondContact O-CB 3.05Å; D265-T268 PolarHBondContact O-N 3.08Å; D265-T268 PolarHBondContact O-OG1 3.24Å; D265-T268 VanDerWaalsContact O-OG1 3.06Å; T268-V270 HydrophobicContact CG2-CG1 3.79Å; T268-F369 HydrophobicContact CG2-CD2 3.59Å; T268-F369 HydrophobicContact CG2-CE2 3.98Å
269	V	98.9	Very high	97.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.8	169.1	-177.9	0	0	0	0	108.1	M325 F330 M332 Y336 I361 K367 L368 F369	V269-M325 HydrophobicContact CG1-CE 3.94Å; V269-F330 HydrophobicContact CG1-CD2 3.91Å; V269-M332 HydrophobicContact CB-CB 4.4Å; V269-M332 HydrophobicContact CG1-CB 4.19Å; V269-M332 HydrophobicContact CG2-CB 3.85Å; V269-M332 HydrophobicContact CG2-CE 3.98Å; V269-M332 HydrophobicContact CG2-SD 4.41Å; V269-Y336 HydrophobicContact CG2-CD1 4.44Å; V269-Y336 HydrophobicContact CG2-CE1 4.16Å; V269-I361 HydrophobicContact CB-CD1 3.9Å; V269-I361 HydrophobicContact CB-CG2 4.5Å; V269-I361 HydrophobicContact CG1-CD1 3.94Å; V269-I361 HydrophobicContact CG2-CD1 3.61Å; V269-I361 HydrophobicContact CG2-CG1 3.92Å; V269-I361 HydrophobicContact CG2-CG2 4.15Å; V269-K367 PolarHBondContact N-O 2.84Å; V269-L368 HydrophobicContact CB-CD1 4.04Å; V269-L368 HydrophobicContact CG1-CD1 3.86Å; V269-L368 WeakPolarHBondContact O-CA 3.49Å; V269-F369 PolarHBondContact O-N 3.24Å
270	V	98.8	Very high	96.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	141.5	-173.8	-66.3	0	0	0	0	111.9	L258 A261 I262 T268 F330 A331 F369 I371	L258-V270 HydrophobicContact CB-CG2 3.7Å; L258-V270 HydrophobicContact CD2-CB 4.01Å; L258-V270 HydrophobicContact CD2-CG2 3.77Å; L258-V270 HydrophobicContact CG-CG2 4.28Å; A261-V270 HydrophobicContact CB-CG1 3.75Å; I262-V270 HydrophobicContact CD1-CG2 3.79Å; I262-V270 HydrophobicContact CG1-CG2 3.88Å; T268-V270 HydrophobicContact CG2-CG1 3.79Å; V270-F330 CarbonylContact O-C 3.08Å; V270-F330 VanDerWaalsContact O-CA 3.29Å; V270-F330 WeakPolarHBondContact O-CA 3.36Å; V270-F330 WeakPolarHBondContact O-CB 3.44Å; V270-A331 HydrophobicContact CG2-CB 3.98Å; V270-A331 PolarHBondContact N-O 2.96Å; V270-A331 PolarHBondContact O-N 3.2Å; V270-F369 CarbonylContact C-O 3.11Å; V270-F369 VanDerWaalsContact CA-O 3.32Å; V270-F369 WeakPolarHBondContact CA-O 3.35Å; V270-F369 HydrophobicContact CG1-CB 4.41Å; V270-I371 HydrophobicContact CB-CD1 4.42Å; V270-I371 HydrophobicContact CB-CG1 3.85Å; V270-I371 HydrophobicContact CG1-CD1 3.93Å; V270-I371 HydrophobicContact CG1-CG1 3.89Å
271	C	98.7	Very high	96.5	Very high	8 Å²	8	31.6 Å²	31.6	5%	0.054	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.1	172.7	-65.9	0	0	0	0	109.7	F369 I370 I371	C271-F369 PolarHBondContact N-O 2.8Å; C271-I370 HydrophobicContact CB-CG1 4.11Å; C271-I370 CarbonylContact O-C 3.54Å; C271-I370 WeakPolarHBondContact O-CA 3.37Å; C271-I371 PolarHBondContact O-N 3.32Å
272	P	98.4	Very high	96.3	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.032	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	162.6	162.2	31.7	-35	0	0	0	110.1	I274 L329 S374 V376	P272-I274 PolarHBondContact O-N 3.39Å; P272-L329 HydrophobicContact CG-CB 3.89Å; P272-L329 HydrophobicContact CG-CD2 4.25Å; P272-S374 WeakPolarHBondContact CA-O 3.49Å; P272-S374 WeakPolarHBondContact CB-OG 3.21Å; P272-V376 HydrophobicContact CB-CB 4.34Å; P272-V376 HydrophobicContact CB-CG2 3.81Å; P272-V376 HydrophobicContact CG-CB 4.22Å; P272-V376 HydrophobicContact CG-CG2 3.86Å
273	V	97.3	Very high	96	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.042	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	127.2	157.9	176.3	0	0	0	0	108.3	D275 I370 S374 R375 V376	V273-D275 PolarHBondContact O-N 3.25Å; V273-I370 HydrophobicContact CG2-CG2 3.52Å; V273-S374 PolarHBondContact N-O 3.15Å; V273-R375 WeakPolarHBondContact O-CA 3.29Å; V273-V376 PolarHBondContact O-N 3.4Å; V273-V376 VanDerWaalsContact O-N 3.07Å
274	I	97.8	Very high	95.8	Very high	18 Å²	18	28.1 Å²	28.1	9%	0.092	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	104.2	-178.8	-55.1	176.7	0	0	0	108.7	P272 S287 W302 A326 L329 V376 H378 F380	P272-I274 PolarHBondContact O-N 3.39Å; I274-S287 WeakPolarHBondContact O-CB 3.33Å; I274-S287 PolarHBondContact O-OG 3.21Å; I274-W302 HydrophobicContact CD1-CH2 4.16Å; I274-W302 HydrophobicContact CD1-CZ2 4.42Å; I274-A326 HydrophobicContact CD1-CB 3.89Å; I274-L329 HydrophobicContact CD1-CD1 4.17Å; I274-V376 CarbonylContact C-O 3.54Å; I274-V376 WeakPolarHBondContact CA-O 3.44Å; I274-H378 HydrophobicContact CG2-CB 3.57Å; I274-F380 HydrophobicContact CG2-CE2 4.14Å; I274-F380 HydrophobicContact CG2-CZ 3.87Å
275	D	97.5	Very high	95.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	161.4	175.5	-78.1	-12.1	0	0	0	111	T136 V273 Y284 S285 S287 R375 V376 G377 H378	T136-D275 VanDerWaalsContact CB-OD2 3.27Å; T136-D275 WeakPolarHBondContact CB-OD2 3.48Å; T136-D275 PolarHBondContact OG1-OD2 2.74Å; V273-D275 PolarHBondContact O-N 3.25Å; D275-Y284 HydrophobicContact CB-CE1 3.74Å; D275-Y284 WeakPolarHBondContact OD2-CE1 3.38Å; D275-Y284 PolarHBondContact OD2-OH 2.84Å; D275-S285 WeakPolarHBondContact CB-O 3.36Å; D275-S287 WeakPolarHBondContact CA-OG 3.21Å; D275-S287 PolarHBondContact OD1-N 3.12Å; D275-R375 IonicContact OD1-NH1 3.94Å; D275-R375 PolarHBondContact OD1-NH1 3.37Å; D275-R375 WeakPolarHBondContact OD2-CD 3.41Å; D275-V376 PolarHBondContact N-O 3.48Å; D275-G377 WeakPolarHBondContact O-CA 3.25Å; D275-H378 PolarHBondContact O-N 2.8Å
276	I	95.1	Very high	95.5	Very high	64 Å²	64	23.3 Å²	23.3	33%	0.328	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.1	-172.8	-65.7	155.7	0	0	0	109.6	S285 S287 F380	I276-S285 PolarHBondContact N-O 2.92Å; I276-S285 PolarHBondContact O-N 3.34Å; I276-S285 PolarHBondContact O-OG 3.26Å; I276-S285 VanDerWaalsContact O-OG 3.07Å; I276-S287 WeakPolarHBondContact CG1-OG 3.37Å; I276-F380 HydrophobicContact CB-CD2 4.15Å; I276-F380 HydrophobicContact CB-CE2 4.29Å; I276-F380 HydrophobicContact CG1-CD2 3.88Å; I276-F380 HydrophobicContact CG1-CE2 3.74Å; I276-F380 HydrophobicContact CG2-CD2 4.03Å
277	I	96.3	Very high	95.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	118.5	160.4	-56.6	168.3	0	0	0	107.3	E249 A279 L282 A283 Y284 G377 H378 I379 F380	E249-I277 HydrophobicContact CB-CD1 3.92Å; E249-I277 HydrophobicContact CG-CD1 3.95Å; I277-A279 PolarHBondContact O-N 2.86Å; I277-L282 HydrophobicContact CG2-CB 4.44Å; I277-L282 HydrophobicContact CG2-CD1 3.92Å; I277-A283 WeakPolarHBondContact CA-O 3.43Å; I277-Y284 HydrophobicContact CD1-CD2 4.1Å; I277-Y284 HydrophobicContact CD1-CE2 4.46Å; I277-Y284 HydrophobicContact CG1-CD2 3.81Å; I277-Y284 HydrophobicContact CG1-CE2 4.41Å; I277-Y284 HydrophobicContact CG1-CG 4.39Å; I277-G377 VanDerWaalsContact CD1-C 3.46Å; I277-H378 PolarHBondContact N-O 3.28Å; I277-I379 HydrophobicContact CB-CG1 3.98Å; I277-I379 HydrophobicContact CD1-CG1 4.35Å; I277-I379 HydrophobicContact CG2-CG1 3.8Å; I277-I379 WeakPolarHBondContact O-CA 3.15Å; I277-F380 PolarHBondContact O-N 2.76Å
278	S	92.4	Very high	94.5	Very high	29 Å²	29	21 Å²	21	20%	0.203	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	132.8	-178.6	176.7	0	0	0	0	111.3	D280 T281 L282 A283	S278-D280 PolarHBondContact O-N 3.17Å; S278-D280 PolarHBondContact OG-N 3.45Å; S278-T281 VanDerWaalsContact CB-OG1 3.26Å; S278-T281 WeakPolarHBondContact CB-OG1 3.14Å; S278-T281 PolarHBondContact OG-N 3.32Å; S278-T281 PolarHBondContact OG-OG1 2.77Å; S278-L282 WeakPolarHBondContact O-CA 3.21Å; S278-L282 PolarHBondContact O-N 2.89Å; S278-A283 PolarHBondContact N-O 2.82Å
279	A	92.5	Very high	93.9	Very high	4 Å²	4	23 Å²	23	3%	0.033	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23	172.5	0	0	0	0	0	113.2	F119 N120 I277 I379 F380	F119-A279 CarbonylContact C-O 3.46Å; F119-A279 WeakPolarHBondContact CA-O 3.49Å; F119-A279 HydrophobicContact CB-CB 3.76Å; F119-A279 WeakPolarHBondContact CB-O 3.19Å; N120-A279 WeakPolarHBondContact CB-O 3.41Å; N120-A279 PolarHBondContact N-O 3.17Å; I277-A279 PolarHBondContact O-N 2.86Å; A279-I379 HydrophobicContact CB-CG2 4.44Å; A279-F380 WeakPolarHBondContact CB-O 3.39Å
280	D	89.2	Confident	93.5	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.043	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-41	-174.9	-59.4	-42.8	0	0	0	112.3	Y114 N120 I123 S278 K382	Y114-D280 WeakPolarHBondContact OH-CA 3.47Å; Y114-D280 PolarHBondContact OH-OD1 3.08Å; N120-D280 WeakPolarHBondContact CB-O 2.99Å; N120-D280 PolarHBondContact ND2-O 3.24Å; I123-D280 VanDerWaalsContact CD1-O 3.26Å; I123-D280 WeakPolarHBondContact CD1-O 3.31Å; S278-D280 PolarHBondContact O-N 3.17Å; S278-D280 PolarHBondContact OG-N 3.45Å; D280-K382 WeakPolarHBondContact OD1-CE 3.44Å; D280-K382 IonicContact OD1-NZ 2.76Å; D280-K382 PolarHBondContact OD1-NZ 3.34Å; D280-K382 WeakPolarHBondContact OD2-CE 2.94Å; D280-K382 IonicContact OD2-NZ 4Å; D280-K382 PolarHBondContact OD2-NZ 2.83Å
281	T	89.5	Confident	93.2	Very high	12 Å²	12	24.9 Å²	24.9	7%	0.074	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-16.3	-170.5	70.8	0	0	0	0	112.8	F94 S278 A283 V573	F94-T281 WeakPolarHBondContact CZ-O 3.16Å; S278-T281 VanDerWaalsContact CB-OG1 3.26Å; S278-T281 WeakPolarHBondContact CB-OG1 3.14Å; S278-T281 PolarHBondContact OG-N 3.32Å; S278-T281 PolarHBondContact OG-OG1 2.77Å; T281-A283 PolarHBondContact O-N 3.18Å; T281-A283 VanDerWaalsContact O-N 3.15Å; T281-A283 VanDerWaalsContact OG1-CB 3.32Å; T281-A283 WeakPolarHBondContact OG1-CB 3.23Å; T281-A283 PolarHBondContact OG1-N 2.85Å; T281-V573 HydrophobicContact CG2-CB 4.42Å; T281-V573 HydrophobicContact CG2-CG1 3.45Å; T281-V573 VanDerWaalsContact CG2-CG1 3.45Å
282	L	93.3	Very high	93.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.155	C	C	.	.			trans	58.7	14.5	-170.8	-70	-68.4	0	0	0	113.4	F119 N120 I123 L127 R131 I277 S278 Y284 I379	F119-L282 HydrophobicContact CD2-CD1 4.45Å; N120-L282 HydrophobicContact CB-CD2 3.97Å; I123-L282 HydrophobicContact CB-CD2 4Å; I123-L282 HydrophobicContact CB-CG 4.38Å; I123-L282 HydrophobicContact CG2-CB 3.83Å; I123-L282 HydrophobicContact CG2-CD2 4.07Å; I123-L282 HydrophobicContact CG2-CG 4Å; L127-L282 HydrophobicContact CD1-CB 3.74Å; L127-L282 HydrophobicContact CD1-CG 4.29Å; R131-L282 VanDerWaalsContact CZ-O 3.31Å; R131-L282 PolarHBondContact NH1-O 2.8Å; R131-L282 PolarHBondContact NH2-O 2.66Å; I277-L282 HydrophobicContact CG2-CB 4.44Å; I277-L282 HydrophobicContact CG2-CD1 3.92Å; S278-L282 WeakPolarHBondContact O-CA 3.21Å; S278-L282 PolarHBondContact O-N 2.89Å; L282-Y284 PolarHBondContact O-N 3.12Å; L282-I379 HydrophobicContact CD1-CD1 3.68Å; L282-I379 HydrophobicContact CD1-CG1 4.21Å
283	A	91.9	Very high	93	Very high	33 Å²	33	24.3 Å²	24.3	27%	0.273	15%	0.153	S	C	.	.			trans	-64.6	131.9	173.3	0	0	0	0	0	110.2	F94 I277 S278 T281	F94-A283 HydrophobicContact CE1-CB 4.01Å; F94-A283 HydrophobicContact CZ-CB 4.31Å; I277-A283 WeakPolarHBondContact CA-O 3.43Å; S278-A283 PolarHBondContact N-O 2.82Å; T281-A283 PolarHBondContact O-N 3.18Å; T281-A283 VanDerWaalsContact O-N 3.15Å; T281-A283 VanDerWaalsContact OG1-CB 3.32Å; T281-A283 WeakPolarHBondContact OG1-CB 3.23Å; T281-A283 PolarHBondContact OG1-N 2.85Å
284	Y	95	Very high	92.9	Very high	22 Å²	22	24 Å²	24	9%	0.086	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.4	175	-169.7	-66.5	0	0	0	109.3	V133 P134 T136 E249 N251 D275 I277 L282 G377	V133-Y284 HydrophobicContact CB-CD2 3.97Å; V133-Y284 HydrophobicContact CB-CE2 4.26Å; V133-Y284 HydrophobicContact CB-CG 4.24Å; V133-Y284 HydrophobicContact CG1-CD2 3.8Å; V133-Y284 HydrophobicContact CG1-CE2 4.28Å; V133-Y284 HydrophobicContact CG1-CG 4.38Å; V133-Y284 HydrophobicContact CG2-CE2 4.49Å; P134-Y284 HydrophobicContact CG-CD1 4Å; P134-Y284 HydrophobicContact CG-CG 4.46Å; T136-Y284 HydrophobicContact CG2-CD1 3.84Å; T136-Y284 HydrophobicContact CG2-CE1 3.57Å; E249-Y284 HydrophobicContact CB-CE2 4.34Å; E249-Y284 WeakPolarHBondContact O-CE2 3.43Å; N251-Y284 PolarHBondContact ND2-OH 3.07Å; D275-Y284 HydrophobicContact CB-CE1 3.74Å; D275-Y284 WeakPolarHBondContact OD2-CE1 3.38Å; D275-Y284 PolarHBondContact OD2-OH 2.84Å; I277-Y284 HydrophobicContact CD1-CD2 4.1Å; I277-Y284 HydrophobicContact CD1-CE2 4.46Å; I277-Y284 HydrophobicContact CG1-CD2 3.81Å; I277-Y284 HydrophobicContact CG1-CE2 4.41Å; I277-Y284 HydrophobicContact CG1-CG 4.39Å; L282-Y284 PolarHBondContact O-N 3.12Å; Y284-G377 VanDerWaalsContact CE2-CA 3.42Å; Y284-G377 PolarHBondContact OH-N 3.38Å; Y284-G377 VanDerWaalsContact OH-N 3.14Å
285	S	93.1	Very high	92.6	Very high	53 Å²	53	26.2 Å²	26.2	37%	0.371	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.7	-177	58.7	0	0	0	0	112.1	D275 I276	D275-S285 WeakPolarHBondContact CB-O 3.36Å; I276-S285 PolarHBondContact N-O 2.92Å; I276-S285 PolarHBondContact O-N 3.34Å; I276-S285 PolarHBondContact O-OG 3.26Å; I276-S285 VanDerWaalsContact O-OG 3.07Å
286	S	93.6	Very high	92.3	Very high	64 Å²	64	27.3 Å²	27.3	45%	0.448	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-65.6	135.8	179.3	-169.7	0	0	0	0	111	T136 R375	T136-S286 PolarHBondContact O-OG 3.44Å; S286-R375 PolarHBondContact OG-NH1 2.72Å
287	S	89.9	Confident	92.2	Very high	15 Å²	15	25 Å²	25	11%	0.105	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-88.5	146.2	169.3	-77.3	0	0	0	0	111.4	I274 D275 I276 R375	I274-S287 WeakPolarHBondContact O-CB 3.33Å; I274-S287 PolarHBondContact O-OG 3.21Å; D275-S287 WeakPolarHBondContact CA-OG 3.21Å; D275-S287 PolarHBondContact OD1-N 3.12Å; I276-S287 WeakPolarHBondContact CG1-OG 3.37Å; S287-R375 PolarHBondContact O-NH1 3.14Å; S287-R375 VanDerWaalsContact O-NH1 3.08Å
288	P	86.8	Confident	92.1	Very high	92 Å²	92	25 Å²	25	60%	0.597	16%	0.159	S	C	*	.	P	Polyproline II helix	trans	-58.9	147.1	168.9	27.4	-33.8	0	0	0	109.8	V290	P288-V290 HydrophobicContact CG-CG1 4.37Å; P288-V290 PolarHBondContact O-N 3.18Å; P288-V290 VanDerWaalsContact O-N 3.11Å
289	V	85.2	Confident	92.2	Very high	50 Å²	50	28.3 Å²	28.3	30%	0.303	17%	0.171	S	C	.	.			trans	-73.8	108.3	178	-179.3	0	0	0	0	108.7	V305 I320	V289-V305 HydrophobicContact CG1-CG2 4.27Å; V289-I320 HydrophobicContact CG1-CD1 3.1Å
290	V	91	Very high	92.3	Very high	27 Å²	27	30.7 Å²	30.7	16%	0.164	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	163.7	-178.4	-69.8	0	0	0	0	109.8	P288 W302 D303 I370	P288-V290 HydrophobicContact CG-CG1 4.37Å; P288-V290 PolarHBondContact O-N 3.18Å; P288-V290 VanDerWaalsContact O-N 3.11Å; V290-W302 HydrophobicContact CB-CB 4.33Å; V290-W302 HydrophobicContact CB-CE3 4.2Å; V290-W302 HydrophobicContact CG2-CB 4.17Å; V290-W302 HydrophobicContact CG2-CD2 3.79Å; V290-W302 HydrophobicContact CG2-CE3 3.35Å; V290-W302 HydrophobicContact CG2-CG 4.17Å; V290-W302 HydrophobicContact CG2-CZ3 3.94Å; V290-D303 WeakPolarHBondContact CA-O 3.44Å; V290-D303 WeakPolarHBondContact CB-O 3.13Å; V290-I370 WeakPolarHBondContact O-CD1 3.43Å
291	R	93.5	Very high	92.5	Very high	12 Å²	12	33.9 Å²	33.9	5%	0.045	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	158.1	171.2	69	179.2	-174.4	164.3	4.3	111.7	D303 P306 I320 K321 I370 E454	R291-D303 HydrophobicContact CG-CB 4.23Å; R291-D303 PolarHBondContact N-O 3.28Å; R291-D303 PolarHBondContact O-N 2.92Å; R291-P306 VanDerWaalsContact CZ-CG 3.42Å; R291-I320 HydrophobicContact CB-CG2 4.19Å; R291-K321 WeakPolarHBondContact CD-O 3.39Å; R291-I370 HydrophobicContact CB-CD1 4.33Å; R291-E454 IonicContact CZ-OE2 3.32Å; R291-E454 IonicContact NH1-OE2 3.6Å; R291-E454 IonicContact NH2-OE1 2.81Å; R291-E454 PolarHBondContact NH2-OE1 3.04Å; R291-E454 IonicContact NH2-OE2 3.19Å; R291-E454 PolarHBondContact NH2-OE2 2.9Å
292	G	95.5	Very high	92.6	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130.8	177	0	0	0	0	0	111.8	S322 P323 T324	G292-S322 PolarHBondContact N-OG 3.15Å; G292-P323 WeakPolarHBondContact O-CB 3.13Å; G292-P323 WeakPolarHBondContact O-CD 3.16Å; G292-T324 WeakPolarHBondContact CA-O 3.13Å; G292-T324 PolarHBondContact O-N 3.3Å; G292-T324 VanDerWaalsContact O-N 3.08Å; G292-T324 PolarHBondContact O-OG1 3.31Å
293	G	95.7	Very high	92.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	-167.5	168.2	0	0	0	0	0	111.3	F300 K301 T324	G293-F300 WeakPolarHBondContact O-CD2 3.49Å; G293-K301 PolarHBondContact N-O 2.59Å; G293-K301 PolarHBondContact O-N 3.38Å; G293-K301 VanDerWaalsContact O-N 3.13Å; G293-T324 WeakPolarHBondContact CA-OG1 3.49Å; G293-T324 PolarHBondContact N-OG1 3.23Å; G293-T324 PolarHBondContact O-OG1 3.34Å
294	F	95.4	Very high	92.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	161.8	171.5	70.3	-75.6	0	0	0	110.2	W296 L298 H299 K301 T324 L355 F359 F444 Y447 Y452 M455	F294-W296 HydrophobicContact CE2-CE3 4.41Å; F294-W296 HydrophobicContact CE2-CZ3 4.44Å; F294-L298 HydrophobicContact CD2-CD2 4.16Å; F294-L298 HydrophobicContact CE2-CD2 4.24Å; F294-H299 CarbonylContact C-O 3.57Å; F294-H299 VanDerWaalsContact CA-O 3.23Å; F294-H299 WeakPolarHBondContact CA-O 3.46Å; F294-K301 WeakPolarHBondContact O-CE 3.34Å; F294-T324 HydrophobicContact CD1-CG2 3.85Å; F294-L355 HydrophobicContact CB-CD1 4.02Å; F294-L355 HydrophobicContact CB-CD2 3.84Å; F294-F359 HydrophobicContact CD1-CE1 4.05Å; F294-F359 HydrophobicContact CD1-CZ 4.05Å; F294-F359 HydrophobicContact CD2-CZ 4.3Å; F294-F359 AromaticContact CE1-CE1 3.76Å; F294-F359 HydrophobicContact CE1-CE1 3.76Å; F294-F359 AromaticContact CE1-CZ 3.82Å; F294-F359 HydrophobicContact CE1-CZ 3.82Å; F294-F359 HydrophobicContact CE2-CZ 4.11Å; F294-F359 HydrophobicContact CG-CZ 4.32Å; F294-F359 HydrophobicContact CZ-CE1 4.22Å; F294-F359 AromaticContact CZ-CZ 3.89Å; F294-F359 HydrophobicContact CZ-CZ 3.89Å; F294-F444 HydrophobicContact CE1-CZ 4.45Å; F294-F444 HydrophobicContact CE2-CZ 4.5Å; F294-F444 HydrophobicContact CZ-CE1 4.38Å; F294-F444 AromaticContact CZ-CZ 3.74Å; F294-F444 HydrophobicContact CZ-CZ 3.74Å; F294-Y447 HydrophobicContact CE1-CE1 4.12Å; F294-Y452 HydrophobicContact CD1-CD1 4.13Å; F294-Y452 AromaticContact CD1-CE1 3.91Å; F294-Y452 HydrophobicContact CD1-CE1 3.91Å; F294-Y452 AromaticContact CE1-CD1 3.77Å; F294-Y452 HydrophobicContact CE1-CD1 3.77Å; F294-Y452 AromaticContact CE1-CE1 3.93Å; F294-Y452 HydrophobicContact CE1-CE1 3.93Å; F294-M455 HydrophobicContact CD1-CE 4Å; F294-M455 HydrophobicContact CD2-CE 3.52Å; F294-M455 HydrophobicContact CE1-CE 3.74Å; F294-M455 HydrophobicContact CE2-CE 3.2Å; F294-M455 HydrophobicContact CG-CE 3.88Å; F294-M455 HydrophobicContact CZ-CE 3.29Å; F294-M455 WeakPolarHBondContact O-CE 3.44Å
295	N	92.5	Very high	91.9	Very high	65 Å²	65	43.9 Å²	43.9	35%	0.348	24%	0.236	S	C	.	.			trans	-103.7	167	167.6	66.6	26.3	0	0	0	110.5	G297 L298 H299	N295-G297 PolarHBondContact O-N 3.5Å; N295-G297 VanDerWaalsContact O-N 3.08Å; N295-G297 WeakPolarHBondContact OD1-CA 3.47Å; N295-G297 PolarHBondContact OD1-N 2.87Å; N295-L298 WeakPolarHBondContact O-CA 3.22Å; N295-L298 PolarHBondContact O-N 3.18Å; N295-L298 PolarHBondContact OD1-N 3.45Å; N295-H299 PolarHBondContact N-O 3.49Å; N295-H299 PolarHBondContact OD1-N 3.44Å; N295-H299 VanDerWaalsContact OD1-N 3.12Å
296	W	91.8	Very high	91.5	Very high	22 Å²	22	42.5 Å²	42.5	8%	0.083	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-11.3	179.6	-70.9	114.1	0	0	0	114.8	F294 L298 Y410 Q413 Y414 L417 F444 L448 M455 Q456 I457	F294-W296 HydrophobicContact CE2-CE3 4.41Å; F294-W296 HydrophobicContact CE2-CZ3 4.44Å; W296-L298 PolarHBondContact O-N 3.4Å; W296-Y410 HydrophobicContact CH2-CD1 4.09Å; W296-Y410 HydrophobicContact CH2-CG 4.44Å; W296-Q413 HydrophobicContact CB-CB 4.37Å; W296-Q413 HydrophobicContact CD2-CB 3.5Å; W296-Q413 VanDerWaalsContact CD2-CB 3.5Å; W296-Q413 HydrophobicContact CD2-CG 4Å; W296-Q413 HydrophobicContact CE3-CB 3.38Å; W296-Q413 HydrophobicContact CE3-CG 3.99Å; W296-Q413 HydrophobicContact CG-CB 3.95Å; W296-Q413 HydrophobicContact CH2-CB 4.41Å; W296-Q413 HydrophobicContact CH2-CG 4.12Å; W296-Q413 HydrophobicContact CZ2-CG 4.15Å; W296-Q413 HydrophobicContact CZ3-CB 3.86Å; W296-Q413 HydrophobicContact CZ3-CG 4.03Å; W296-Y414 WeakPolarHBondContact O-CA 3.42Å; W296-Y414 WeakPolarHBondContact O-CD2 3.48Å; W296-L417 HydrophobicContact CB-CD1 3.66Å; W296-F444 HydrophobicContact CH2-CE1 4.14Å; W296-F444 HydrophobicContact CZ3-CE1 4.25Å; W296-L448 HydrophobicContact CH2-CD1 4.18Å; W296-M455 HydrophobicContact CD2-CE 4.23Å; W296-M455 HydrophobicContact CZ2-CE 4.34Å; W296-M455 HydrophobicContact CZ2-CG 3.92Å; W296-Q456 PolarHBondContact NE1-O 3.23Å; W296-I457 HydrophobicContact CZ2-CG1 4.02Å
297	G	92.2	Very high	90.7	Very high	15 Å²	15	46.1 Å²	46.1	16%	0.155	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	3	166.2	0	0	0	0	0	113.6	N295 H299	N295-G297 PolarHBondContact O-N 3.5Å; N295-G297 VanDerWaalsContact O-N 3.08Å; N295-G297 WeakPolarHBondContact OD1-CA 3.47Å; N295-G297 PolarHBondContact OD1-N 2.87Å; G297-H299 PolarHBondContact O-CD2 2.04Å; G297-H299 PolarHBondContact O-N 3.34Å
298	L	94.8	Very high	90	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	60.5	32.4	-177.5	-53.4	174.1	0	0	0	112.7	F294 N295 W296 L355 M395 L402 A403 L407 Y414	F294-L298 HydrophobicContact CD2-CD2 4.16Å; F294-L298 HydrophobicContact CE2-CD2 4.24Å; N295-L298 WeakPolarHBondContact O-CA 3.22Å; N295-L298 PolarHBondContact O-N 3.18Å; N295-L298 PolarHBondContact OD1-N 3.45Å; W296-L298 PolarHBondContact O-N 3.4Å; L298-L355 HydrophobicContact CB-CD1 4.21Å; L298-L355 WeakPolarHBondContact O-CD1 3.44Å; L298-M395 WeakPolarHBondContact O-CE 3.44Å; L298-L402 HydrophobicContact CB-CD2 4.42Å; L298-L402 HydrophobicContact CD1-CD2 3.49Å; L298-L402 VanDerWaalsContact CD1-CD2 3.49Å; L298-L402 HydrophobicContact CD2-CD2 4.16Å; L298-L402 HydrophobicContact CG-CD2 4.22Å; L298-A403 HydrophobicContact CD1-CB 4.15Å; L298-L407 HydrophobicContact CD1-CD1 4.18Å; L298-L407 HydrophobicContact CD2-CD1 3.81Å; L298-Y414 HydrophobicContact CB-CE2 4.43Å; L298-Y414 HydrophobicContact CD1-CD1 3.6Å; L298-Y414 HydrophobicContact CD1-CD2 3.84Å; L298-Y414 HydrophobicContact CD1-CE1 3.7Å; L298-Y414 HydrophobicContact CD1-CE2 3.9Å; L298-Y414 HydrophobicContact CD1-CG 3.66Å; L298-Y414 HydrophobicContact CG-CD1 4.49Å; L298-Y414 HydrophobicContact CG-CD2 3.87Å; L298-Y414 HydrophobicContact CG-CE2 4.06Å; L298-Y414 HydrophobicContact CG-CG 4.06Å
299	H	92.9	Very high	89.4	Confident	99 Å²	99	46.9 Å²	46.9	46%	0.458	24%	0.244	S	C	.	.			trans	-96.4	135	168.6	-58.7	-65	0	0	0	110	F294 N295 G297	F294-H299 CarbonylContact C-O 3.57Å; F294-H299 VanDerWaalsContact CA-O 3.23Å; F294-H299 WeakPolarHBondContact CA-O 3.46Å; N295-H299 PolarHBondContact N-O 3.49Å; N295-H299 PolarHBondContact OD1-N 3.44Å; N295-H299 VanDerWaalsContact OD1-N 3.12Å; G297-H299 PolarHBondContact O-CD2 2.04Å; G297-H299 PolarHBondContact O-N 3.34Å
300	F	95.3	Very high	88.6	Confident	55 Å²	55	48 Å²	48	24%	0.241	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	142.4	169.4	176.1	-94.4	0	0	0	110.8	G293 W302 M325 A326	G293-F300 WeakPolarHBondContact O-CD2 3.49Å; F300-W302 AromaticContact CE1-CD2 3.71Å; F300-W302 HydrophobicContact CE1-CD2 3.71Å; F300-W302 AromaticContact CE1-CE2 3.51Å; F300-W302 HydrophobicContact CE1-CE3 4.13Å; F300-W302 HydrophobicContact CE1-CG 4.18Å; F300-W302 HydrophobicContact CE1-CH2 4.23Å; F300-W302 AromaticContact CE1-CZ2 3.8Å; F300-W302 HydrophobicContact CE1-CZ2 3.8Å; F300-W302 HydrophobicContact CE1-CZ3 4.38Å; F300-W302 AromaticContact CE1-NE1 3.82Å; F300-W302 AromaticContact CZ-CD2 3.78Å; F300-W302 HydrophobicContact CZ-CD2 3.78Å; F300-W302 AromaticContact CZ-CE2 3.87Å; F300-W302 AromaticContact CZ-CE3 3.69Å; F300-W302 HydrophobicContact CZ-CE3 3.69Å; F300-W302 AromaticContact CZ-CH2 3.85Å; F300-W302 HydrophobicContact CZ-CH2 3.85Å; F300-W302 AromaticContact CZ-CZ2 3.91Å; F300-W302 HydrophobicContact CZ-CZ2 3.91Å; F300-W302 AromaticContact CZ-CZ3 3.74Å; F300-W302 HydrophobicContact CZ-CZ3 3.74Å; F300-M325 WeakPolarHBondContact CD2-O 2.98Å; F300-M325 VanDerWaalsContact CE2-C 3.41Å; F300-M325 WeakPolarHBondContact CE2-O 3.41Å; F300-A326 HydrophobicContact CE1-CB 4.03Å; F300-A326 HydrophobicContact CE2-CB 4.28Å; F300-A326 HydrophobicContact CZ-CB 3.81Å
301	K	92.7	Very high	87.3	Confident	75 Å²	75	50 Å²	50	33%	0.326	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.9	171	59.7	166.2	177.9	137.1	0	110.4	G293 F294 D303 Y452	G293-K301 PolarHBondContact N-O 2.59Å; G293-K301 PolarHBondContact O-N 3.38Å; G293-K301 VanDerWaalsContact O-N 3.13Å; F294-K301 WeakPolarHBondContact O-CE 3.34Å; K301-D303 WeakPolarHBondContact CD-OD1 3.32Å; K301-D303 VanDerWaalsContact CE-OD1 3.26Å; K301-D303 WeakPolarHBondContact CE-OD1 3.2Å; K301-D303 IonicContact NZ-OD1 2.78Å; K301-D303 PolarHBondContact NZ-OD1 3.5Å; K301-D303 IonicContact NZ-OD2 3.81Å; K301-D303 PolarHBondContact NZ-OD2 2.89Å; K301-Y452 VanDerWaalsContact CE-OH 3.31Å; K301-Y452 WeakPolarHBondContact CE-OH 3.44Å; K301-Y452 PolarHBondContact NZ-OH 3.49Å
302	W	91.9	Very high	86.1	Confident	107 Å²	107	53.9 Å²	53.9	41%	0.405	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129	168.6	-62.8	111.7	0	0	0	109.8	I274 V290 F300 A326	I274-W302 HydrophobicContact CD1-CH2 4.16Å; I274-W302 HydrophobicContact CD1-CZ2 4.42Å; V290-W302 HydrophobicContact CB-CB 4.33Å; V290-W302 HydrophobicContact CB-CE3 4.2Å; V290-W302 HydrophobicContact CG2-CB 4.17Å; V290-W302 HydrophobicContact CG2-CD2 3.79Å; V290-W302 HydrophobicContact CG2-CE3 3.35Å; V290-W302 HydrophobicContact CG2-CG 4.17Å; V290-W302 HydrophobicContact CG2-CZ3 3.94Å; F300-W302 AromaticContact CE1-CD2 3.71Å; F300-W302 HydrophobicContact CE1-CD2 3.71Å; F300-W302 AromaticContact CE1-CE2 3.51Å; F300-W302 HydrophobicContact CE1-CE3 4.13Å; F300-W302 HydrophobicContact CE1-CG 4.18Å; F300-W302 HydrophobicContact CE1-CH2 4.23Å; F300-W302 AromaticContact CE1-CZ2 3.8Å; F300-W302 HydrophobicContact CE1-CZ2 3.8Å; F300-W302 HydrophobicContact CE1-CZ3 4.38Å; F300-W302 AromaticContact CE1-NE1 3.82Å; F300-W302 AromaticContact CZ-CD2 3.78Å; F300-W302 HydrophobicContact CZ-CD2 3.78Å; F300-W302 AromaticContact CZ-CE2 3.87Å; F300-W302 AromaticContact CZ-CE3 3.69Å; F300-W302 HydrophobicContact CZ-CE3 3.69Å; F300-W302 AromaticContact CZ-CH2 3.85Å; F300-W302 HydrophobicContact CZ-CH2 3.85Å; F300-W302 AromaticContact CZ-CZ2 3.91Å; F300-W302 HydrophobicContact CZ-CZ2 3.91Å; F300-W302 AromaticContact CZ-CZ3 3.74Å; F300-W302 HydrophobicContact CZ-CZ3 3.74Å; W302-A326 HydrophobicContact CH2-CB 3.88Å; W302-A326 HydrophobicContact CZ2-CB 3.98Å
303	D	90.4	Very high	84.7	Confident	29 Å²	29	59.5 Å²	59.5	16%	0.155	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	152	174.7	-84.8	3.9	0	0	0	110.7	V290 R291 K301 Y452	V290-D303 WeakPolarHBondContact CA-O 3.44Å; V290-D303 WeakPolarHBondContact CB-O 3.13Å; R291-D303 HydrophobicContact CG-CB 4.23Å; R291-D303 PolarHBondContact N-O 3.28Å; R291-D303 PolarHBondContact O-N 2.92Å; K301-D303 WeakPolarHBondContact CD-OD1 3.32Å; K301-D303 VanDerWaalsContact CE-OD1 3.26Å; K301-D303 WeakPolarHBondContact CE-OD1 3.2Å; K301-D303 IonicContact NZ-OD1 2.78Å; K301-D303 PolarHBondContact NZ-OD1 3.5Å; K301-D303 IonicContact NZ-OD2 3.81Å; K301-D303 PolarHBondContact NZ-OD2 2.89Å; D303-Y452 WeakPolarHBondContact OD2-CE2 3.46Å; D303-Y452 PolarHBondContact OD2-OH 3.38Å
304	L	88.9	Confident	83.5	Confident	125 Å²	125	64.5 Å²	64.5	65%	0.654	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	148.4	170.3	-61.5	177.6	0	0	0	110.6
305	V	87.3	Confident	82.7	Confident	16 Å²	16	65.8 Å²	65.8	10%	0.097	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-75.1	126.8	174.4	-175.3	0	0	0	0	108.9	V289 E309 L310 I320	V289-V305 HydrophobicContact CG1-CG2 4.27Å; V305-E309 HydrophobicContact CG1-CB 3.88Å; V305-L310 HydrophobicContact CB-CD1 4.42Å; V305-L310 HydrophobicContact CB-CG 4.37Å; V305-L310 HydrophobicContact CG1-CD2 4.28Å; V305-L310 HydrophobicContact CG1-CG 4Å; V305-I320 HydrophobicContact CG1-CG2 3.85Å; V305-I320 HydrophobicContact CG2-CD1 4.14Å; V305-I320 HydrophobicContact CG2-CG2 3.96Å
306	P	83.4	Confident	82.2	Confident	24 Å²	24	65.3 Å²	65.3	16%	0.156	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-57.3	141.5	176.2	-25.7	34.5	0	0	0	111.8	R291 S308 E309 L310 E454	R291-P306 VanDerWaalsContact CZ-CG 3.42Å; P306-S308 PolarHBondContact O-N 2.83Å; P306-S308 VanDerWaalsContact O-N 3.14Å; P306-E309 PolarHBondContact O-N 3.32Å; P306-L310 PolarHBondContact O-N 2.93Å; P306-E454 WeakPolarHBondContact CG-OE1 3.44Å
307	L	77.4	Confident	82.1	Confident	140 Å²	140	64.8 Å²	64.8	73%	0.733	38%	0.376	S	S	*	.	H	α-helix	trans	-57.4	-30.9	179.8	-69.2	172.2	0	0	0	112.7	E309 L310 G311	L307-E309 VanDerWaalsContact C-N 3.25Å; L307-E309 PolarHBondContact O-N 3.02Å; L307-L310 HydrophobicContact CD2-CD1 4.33Å; L307-L310 PolarHBondContact O-N 3.43Å; L307-G311 PolarHBondContact O-N 2.8Å; L307-G311 VanDerWaalsContact O-N 3.14Å
308	S	75.4	Confident	82	Confident	93 Å²	93	64.4 Å²	64.4	65%	0.65	37%	0.371	S	S	*	.	H	α-helix	trans	-61.4	-30.3	175.7	51.3	0	0	0	0	113.5	P306	P306-S308 PolarHBondContact O-N 2.83Å; P306-S308 VanDerWaalsContact O-N 3.14Å
309	E	73.8	Confident	82	Confident	30 Å²	30	66.4 Å²	66.4	14%	0.14	38%	0.384	C	S	.	.	H	α-helix	trans	-82.2	-29.9	176.4	-67	-77	139.9	0	0	111.6	V305 P306 L307 R312	V305-E309 HydrophobicContact CG1-CB 3.88Å; P306-E309 PolarHBondContact O-N 3.32Å; L307-E309 VanDerWaalsContact C-N 3.25Å; L307-E309 PolarHBondContact O-N 3.02Å; E309-R312 IonicContact OE1-CZ 3.52Å; E309-R312 IonicContact OE1-NH2 3.69Å; E309-R312 PolarHBondContact OE1-NH2 3.18Å; E309-R312 IonicContact OE2-CZ 2.71Å; E309-R312 IonicContact OE2-NH1 3.61Å; E309-R312 PolarHBondContact OE2-NH1 3.19Å; E309-R312 IonicContact OE2-NH2 3.02Å; E309-R312 PolarHBondContact OE2-NH2 2.69Å
310	L	69.5	Low	82	Confident	74 Å²	74	62.2 Å²	62.2	39%	0.387	37%	0.365	S	S	.	.	H	α-helix	trans	-76.4	-23.4	179.2	-70.7	166.6	0	0	0	113.5	V305 P306 L307 R312	V305-L310 HydrophobicContact CB-CD1 4.42Å; V305-L310 HydrophobicContact CB-CG 4.37Å; V305-L310 HydrophobicContact CG1-CD2 4.28Å; V305-L310 HydrophobicContact CG1-CG 4Å; P306-L310 PolarHBondContact O-N 2.93Å; L307-L310 HydrophobicContact CD2-CD1 4.33Å; L307-L310 PolarHBondContact O-N 3.43Å; L310-R312 VanDerWaalsContact C-N 3.28Å; L310-R312 PolarHBondContact O-N 3.44Å
311	G	62.4	Low	82	Confident	69 Å²	69	63.9 Å²	63.9	71%	0.711	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	8.6	-178.5	0	0	0	0	0	115.8	L307	L307-G311 PolarHBondContact O-N 2.8Å; L307-G311 VanDerWaalsContact O-N 3.14Å
312	R	69.3	Low	82.2	Confident	93 Å²	93	60.3 Å²	60.3	35%	0.351	36%	0.357	S	S	.	.	S	Bend	trans	-70.1	158.4	178.9	-68.8	-175.8	174.4	145.6	10.4	111.5	E309 L310 E314 G315	E309-R312 IonicContact OE1-CZ 3.52Å; E309-R312 IonicContact OE1-NH2 3.69Å; E309-R312 PolarHBondContact OE1-NH2 3.18Å; E309-R312 IonicContact OE2-CZ 2.71Å; E309-R312 IonicContact OE2-NH1 3.61Å; E309-R312 PolarHBondContact OE2-NH1 3.19Å; E309-R312 IonicContact OE2-NH2 3.02Å; E309-R312 PolarHBondContact OE2-NH2 2.69Å; L310-R312 VanDerWaalsContact C-N 3.28Å; L310-R312 PolarHBondContact O-N 3.44Å; R312-E314 PolarHBondContact O-N 3.1Å; R312-E314 VanDerWaalsContact O-N 3.12Å; R312-G315 WeakPolarHBondContact O-CA 3.42Å; R312-G315 PolarHBondContact O-N 2.76Å
313	A	65.6	Low	82.5	Confident	118 Å²	118	55.2 Å²	55.2	98%	0.975	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.6	-179.4	0	0	0	0	0	113.7	G315	A313-G315 VanDerWaalsContact C-N 3.28Å; A313-G315 PolarHBondContact O-N 2.81Å
314	E	71.1	Confident	82.9	Confident	106 Å²	106	53.9 Å²	53.9	50%	0.495	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-4.9	176.4	-71.4	-175.8	-143.3	0	0	114.6	K144 R312 A316 T317 A318	K144-E314 IonicContact NZ-OE2 2.92Å; K144-E314 PolarHBondContact NZ-OE2 2.92Å; R312-E314 PolarHBondContact O-N 3.1Å; R312-E314 VanDerWaalsContact O-N 3.12Å; E314-A316 PolarHBondContact O-N 2.96Å; E314-T317 PolarHBondContact O-N 2.97Å; E314-T317 PolarHBondContact O-OG1 2.87Å; E314-A318 HydrophobicContact CB-CB 3.74Å
315	G	78.8	Confident	83.3	Confident	27 Å²	27	48.1 Å²	48.1	28%	0.278	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	51.9	-132.3	178.4	0	0	0	0	0	113.6	R312 A313 T317 A318	R312-G315 WeakPolarHBondContact O-CA 3.42Å; R312-G315 PolarHBondContact O-N 2.76Å; A313-G315 VanDerWaalsContact C-N 3.28Å; A313-G315 PolarHBondContact O-N 2.81Å; G315-T317 PolarHBondContact O-N 3.28Å; G315-T317 VanDerWaalsContact O-N 3.08Å; G315-A318 WeakPolarHBondContact O-CB 3.31Å; G315-A318 PolarHBondContact O-N 3.37Å
316	A	81.8	Confident	83.7	Confident	54 Å²	54	48.9 Å²	48.9	45%	0.446	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-68.9	-4.4	-175	0	0	0	0	0	115.2	E314 P372	E314-A316 PolarHBondContact O-N 2.96Å; A316-P372 WeakPolarHBondContact O-CB 3.36Å
317	T	89.6	Confident	84.1	Confident	12 Å²	12	47.8 Å²	47.8	7%	0.074	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-103.9	-4.2	-179.4	69.5	0	0	0	0	113.6	A140 K144 E314 G315	A140-T317 HydrophobicContact CB-CG2 3.69Å; K144-T317 WeakPolarHBondContact CE-OG1 3.47Å; K144-T317 PolarHBondContact NZ-O 3.13Å; K144-T317 PolarHBondContact NZ-OG1 2.84Å; E314-T317 PolarHBondContact O-N 2.97Å; E314-T317 PolarHBondContact O-OG1 2.87Å; G315-T317 PolarHBondContact O-N 3.28Å; G315-T317 VanDerWaalsContact O-N 3.08Å
318	A	89.9	Confident	84.8	Confident	6 Å²	6	41.6 Å²	41.6	5%	0.05	27%	0.271	C	S	.	.	S	Bend	trans	-68.1	144.8	-179.6	0	0	0	0	0	111.2	E314 G315 I320 P372	E314-A318 HydrophobicContact CB-CB 3.74Å; G315-A318 WeakPolarHBondContact O-CB 3.31Å; G315-A318 PolarHBondContact O-N 3.37Å; A318-I320 PolarHBondContact O-N 2.81Å; A318-P372 WeakPolarHBondContact O-CD 3.29Å; A318-P372 VanDerWaalsContact O-CG 3.26Å; A318-P372 WeakPolarHBondContact O-CG 3.45Å
319	P	93.8	Very high	85.9	Confident	43 Å²	43	37.3 Å²	37.3	28%	0.279	24%	0.241	S	C	.	.			trans	-54.5	132.6	166.2	-26.2	36	0	0	0	111.9	F369 I371	P319-F369 HydrophobicContact CB-CB 4.17Å; P319-F369 HydrophobicContact CB-CD1 3.77Å; P319-F369 HydrophobicContact CB-CE1 4.35Å; P319-F369 HydrophobicContact CB-CG 4.04Å; P319-I371 HydrophobicContact CB-CD1 3.7Å; P319-I371 HydrophobicContact CG-CD1 3.91Å
320	I	93.9	Very high	87.1	Confident	10 Å²	10	36 Å²	36	5%	0.051	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.8	-176.4	-63.2	162.9	0	0	0	109.4	V289 R291 V305 A318 S322 F369 I370 P372	V289-I320 HydrophobicContact CG1-CD1 3.1Å; R291-I320 HydrophobicContact CB-CG2 4.19Å; V305-I320 HydrophobicContact CG1-CG2 3.85Å; V305-I320 HydrophobicContact CG2-CD1 4.14Å; V305-I320 HydrophobicContact CG2-CG2 3.96Å; A318-I320 PolarHBondContact O-N 2.81Å; I320-S322 PolarHBondContact O-N 3.18Å; I320-F369 CarbonylContact O-C 3.55Å; I320-F369 WeakPolarHBondContact O-CA 3.43Å; I320-I370 HydrophobicContact CB-CB 4.44Å; I320-I370 PolarHBondContact N-O 2.88Å; I320-I370 PolarHBondContact O-N 2.75Å; I320-P372 HydrophobicContact CD1-CG 3.69Å; I320-P372 HydrophobicContact CG1-CG 4.17Å
321	K	94.8	Very high	88.5	Confident	90 Å²	90	32.5 Å²	32.5	39%	0.391	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	123.9	174.4	-69.3	-179	-179.4	177.3	0	110	R291 W362 F369	R291-K321 WeakPolarHBondContact CD-O 3.39Å; K321-W362 HydrophobicContact CG-CH2 4.43Å; K321-F369 HydrophobicContact CB-CE1 4.41Å; K321-F369 HydrophobicContact CD-CE1 4.47Å; K321-F369 HydrophobicContact CG-CD1 3.96Å; K321-F369 HydrophobicContact CG-CE1 3.39Å; K321-F369 HydrophobicContact CG-CZ 4.22Å
322	S	96.9	Very high	90.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.007	18%	0.182	C	C	.	.			trans	-116.1	118.5	-179	-162	0	0	0	0	110.5	G292 I320 T324 W362 L368	G292-S322 PolarHBondContact N-OG 3.15Å; I320-S322 PolarHBondContact O-N 3.18Å; S322-T324 PolarHBondContact O-N 3.32Å; S322-T324 PolarHBondContact OG-O 3.37Å; S322-W362 PolarHBondContact O-NE1 3.03Å; S322-L368 PolarHBondContact N-O 3.21Å
323	P	97.8	Very high	91.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-53	-41.9	174	-29.1	33	0	0	0	113.4	G292 Y447 V451 Y452	G292-P323 WeakPolarHBondContact O-CB 3.13Å; G292-P323 WeakPolarHBondContact O-CD 3.16Å; P323-Y447 VanDerWaalsContact C-OH 3.22Å; P323-Y447 WeakPolarHBondContact CB-OH 3.47Å; P323-Y447 PolarHBondContact O-OH 3.44Å; P323-V451 HydrophobicContact CB-CG1 4.44Å; P323-Y452 HydrophobicContact CB-CD1 3.89Å; P323-Y452 HydrophobicContact CB-CD2 4.2Å; P323-Y452 HydrophobicContact CB-CE1 4.48Å; P323-Y452 HydrophobicContact CB-CG 3.75Å; P323-Y452 HydrophobicContact CG-CD1 4.24Å; P323-Y452 HydrophobicContact CG-CD2 3.63Å; P323-Y452 HydrophobicContact CG-CE2 4.17Å; P323-Y452 HydrophobicContact CG-CG 3.68Å
324	T	98.5	Very high	93.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-135.7	166.6	179	69.2	0	0	0	0	111.4	G292 G293 F294 S322 L355 S358 F359	G292-T324 WeakPolarHBondContact CA-O 3.13Å; G292-T324 PolarHBondContact O-N 3.3Å; G292-T324 VanDerWaalsContact O-N 3.08Å; G292-T324 PolarHBondContact O-OG1 3.31Å; G293-T324 WeakPolarHBondContact CA-OG1 3.49Å; G293-T324 PolarHBondContact N-OG1 3.23Å; G293-T324 PolarHBondContact O-OG1 3.34Å; F294-T324 HydrophobicContact CD1-CG2 3.85Å; S322-T324 PolarHBondContact O-N 3.32Å; S322-T324 PolarHBondContact OG-O 3.37Å; T324-L355 HydrophobicContact CG2-CD2 3.68Å; T324-S358 WeakPolarHBondContact CA-OG 3.25Å; T324-F359 HydrophobicContact CG2-CE1 4.12Å
325	M	97.8	Very high	94.5	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.02	13%	0.134	C	C	.	.			trans	-109.1	154.6	168.9	65	-178.3	77.3	0	0	111.1	V269 F300 G327 F330 N354 I357 S358 I361 L368	V269-M325 HydrophobicContact CG1-CE 3.94Å; F300-M325 WeakPolarHBondContact CD2-O 2.98Å; F300-M325 VanDerWaalsContact CE2-C 3.41Å; F300-M325 WeakPolarHBondContact CE2-O 3.41Å; M325-G327 PolarHBondContact O-N 3.43Å; M325-F330 HydrophobicContact SD-CB 4.33Å; M325-F330 HydrophobicContact SD-CD1 4Å; M325-F330 HydrophobicContact SD-CD2 4.44Å; M325-F330 HydrophobicContact SD-CE1 4.42Å; M325-F330 HydrophobicContact SD-CG 4.01Å; M325-N354 HydrophobicContact CG-CB 4.41Å; M325-N354 PolarHBondContact O-ND2 3.48Å; M325-I357 HydrophobicContact CE-CG2 3.87Å; M325-I357 HydrophobicContact SD-CG2 3.85Å; M325-S358 PolarHBondContact N-OG 2.85Å; M325-I361 HydrophobicContact CE-CD1 3.54Å; M325-L368 HydrophobicContact CB-CD1 4.48Å; M325-L368 HydrophobicContact CB-CD2 4.09Å; M325-L368 HydrophobicContact CE-CD1 3.7Å; M325-L368 HydrophobicContact CE-CD2 3.95Å; M325-L368 HydrophobicContact CE-CG 4.48Å
326	A	95.8	Very high	95.5	Very high	33 Å²	33	22 Å²	22	27%	0.273	12%	0.122	S	C	.	.			trans	-62.9	-29.9	169.9	0	0	0	0	0	111.6	I274 F300 W302 N354	I274-A326 HydrophobicContact CD1-CB 3.89Å; F300-A326 HydrophobicContact CE1-CB 4.03Å; F300-A326 HydrophobicContact CE2-CB 4.28Å; F300-A326 HydrophobicContact CZ-CB 3.81Å; W302-A326 HydrophobicContact CH2-CB 3.88Å; W302-A326 HydrophobicContact CZ2-CB 3.98Å; A326-N354 PolarHBondContact O-ND2 2.81Å
327	G	92.5	Very high	96.2	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.01	10%	0.101	C	C	.	.	S	Bend	trans	99	-32.5	174.5	0	0	0	0	0	113.7	R229 M325 L329	R229-G327 PolarHBondContact NH1-O 3.05Å; R229-G327 PolarHBondContact NH2-O 3.12Å; M325-G327 PolarHBondContact O-N 3.43Å; G327-L329 PolarHBondContact O-N 3.18Å
328	G	92	Very high	96.6	Very high	10 Å²	10	21.5 Å²	21.5	10%	0.103	11%	0.11	C	C	.	.	S	Bend	trans	-56.2	-48.9	-179.9	0	0	0	0	0	114	R229 D245	R229-G328 PolarHBondContact NH2-O 3.34Å; D245-G328 WeakPolarHBondContact OD2-CA 3.37Å
329	L	98.4	Very high	97	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.016	12%	0.123	C	C	.	.	S	Bend	trans	-130.3	116.4	-167.9	-63.5	75.3	0	0	0	110.9	F243 L244 P272 I274 G327 V376	F243-L329 WeakPolarHBondContact O-CA 3.23Å; L244-L329 HydrophobicContact CD2-CB 4.29Å; L244-L329 HydrophobicContact CD2-CD2 3.85Å; L244-L329 HydrophobicContact CD2-CG 3.91Å; P272-L329 HydrophobicContact CG-CB 3.89Å; P272-L329 HydrophobicContact CG-CD2 4.25Å; I274-L329 HydrophobicContact CD1-CD1 4.17Å; G327-L329 PolarHBondContact O-N 3.18Å; L329-V376 HydrophobicContact CD2-CB 3.58Å; L329-V376 HydrophobicContact CD2-CG1 3.34Å; L329-V376 HydrophobicContact CD2-CG2 4.3Å
330	F	98.8	Very high	97.2	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.009	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	160.8	175.4	69.3	-79	0	0	0	111.7	F243 V269 V270 M325 M332 Y343	F243-F330 HydrophobicContact CB-CD1 4.11Å; F243-F330 HydrophobicContact CB-CE1 3.85Å; F243-F330 HydrophobicContact CB-CZ 4.38Å; F243-F330 HydrophobicContact CD2-CD1 4.17Å; F243-F330 HydrophobicContact CD2-CD2 4.15Å; F243-F330 AromaticContact CD2-CE1 3.5Å; F243-F330 HydrophobicContact CD2-CE1 3.5Å; F243-F330 VanDerWaalsContact CD2-CE1 3.5Å; F243-F330 AromaticContact CD2-CE2 3.49Å; F243-F330 HydrophobicContact CD2-CE2 3.49Å; F243-F330 VanDerWaalsContact CD2-CE2 3.49Å; F243-F330 HydrophobicContact CD2-CG 4.46Å; F243-F330 AromaticContact CD2-CZ 3.12Å; F243-F330 HydrophobicContact CD2-CZ 3.12Å; F243-F330 HydrophobicContact CE2-CE1 4.28Å; F243-F330 AromaticContact CE2-CE2 3.76Å; F243-F330 HydrophobicContact CE2-CE2 3.76Å; F243-F330 AromaticContact CE2-CZ 3.48Å; F243-F330 HydrophobicContact CE2-CZ 3.48Å; F243-F330 VanDerWaalsContact CE2-CZ 3.48Å; F243-F330 AromaticContact CG-CE1 3.87Å; F243-F330 HydrophobicContact CG-CE1 3.87Å; F243-F330 AromaticContact CG-CZ 3.92Å; F243-F330 HydrophobicContact CG-CZ 3.92Å; F243-F330 PolarHBondContact N-O 3.41Å; F243-F330 PolarHBondContact O-N 3.28Å; V269-F330 HydrophobicContact CG1-CD2 3.91Å; V270-F330 CarbonylContact O-C 3.08Å; V270-F330 VanDerWaalsContact O-CA 3.29Å; V270-F330 WeakPolarHBondContact O-CA 3.36Å; V270-F330 WeakPolarHBondContact O-CB 3.44Å; M325-F330 HydrophobicContact SD-CB 4.33Å; M325-F330 HydrophobicContact SD-CD1 4Å; M325-F330 HydrophobicContact SD-CD2 4.44Å; M325-F330 HydrophobicContact SD-CE1 4.42Å; M325-F330 HydrophobicContact SD-CG 4.01Å; F330-M332 HydrophobicContact CD2-CG 4.43Å; F330-M332 HydrophobicContact CD2-SD 4.35Å; F330-M332 HydrophobicContact CE2-CG 4.11Å; F330-M332 HydrophobicContact CE2-SD 3.68Å; F330-Y343 VanDerWaalsContact CE1-OH 3.25Å; F330-Y343 WeakPolarHBondContact CE1-OH 3.5Å; F330-Y343 HydrophobicContact CZ-CE2 4.44Å; F330-Y343 VanDerWaalsContact CZ-OH 3.25Å; F330-Y343 WeakPolarHBondContact CZ-OH 3.26Å
331	A	98.9	Very high	97.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.2	174.2	0	0	0	0	0	111.3	V240 L241 V242 L258 I262 V270	V240-A331 HydrophobicContact CG1-CB 4.13Å; L241-A331 CarbonylContact O-C 3.54Å; L241-A331 WeakPolarHBondContact O-CA 3.24Å; V242-A331 HydrophobicContact CB-CB 4.44Å; V242-A331 HydrophobicContact CG1-CB 4.43Å; V242-A331 HydrophobicContact CG2-CB 3.85Å; L258-A331 HydrophobicContact CB-CB 4.38Å; L258-A331 HydrophobicContact CD1-CB 4.36Å; I262-A331 HydrophobicContact CD1-CB 3.72Å; V270-A331 HydrophobicContact CG2-CB 3.98Å; V270-A331 PolarHBondContact N-O 2.96Å; V270-A331 PolarHBondContact O-N 3.2Å
332	M	98.7	Very high	97.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	156.5	174.7	64.7	-175.9	-59.8	0	0	112	L241 V269 F330 R334 Y336 F337 L340	L241-M332 PolarHBondContact N-O 3.42Å; L241-M332 PolarHBondContact O-N 2.81Å; V269-M332 HydrophobicContact CB-CB 4.4Å; V269-M332 HydrophobicContact CG1-CB 4.19Å; V269-M332 HydrophobicContact CG2-CB 3.85Å; V269-M332 HydrophobicContact CG2-CE 3.98Å; V269-M332 HydrophobicContact CG2-SD 4.41Å; F330-M332 HydrophobicContact CD2-CG 4.43Å; F330-M332 HydrophobicContact CD2-SD 4.35Å; F330-M332 HydrophobicContact CE2-CG 4.11Å; F330-M332 HydrophobicContact CE2-SD 3.68Å; M332-R334 PolarHBondContact O-N 2.83Å; M332-Y336 HydrophobicContact CE-CD1 3.8Å; M332-Y336 HydrophobicContact CE-CE1 4.4Å; M332-Y336 HydrophobicContact CE-CG 4.45Å; M332-F337 VanDerWaalsContact CE-CA 3.41Å; M332-F337 HydrophobicContact CE-CB 3.62Å; M332-F337 HydrophobicContact CE-CD2 3.93Å; M332-F337 HydrophobicContact CE-CG 4.28Å; M332-F337 HydrophobicContact CG-CB 4.2Å; M332-F337 HydrophobicContact SD-CB 3.77Å; M332-F337 HydrophobicContact SD-CD2 3.41Å; M332-F337 WeakPolarHBondContact SD-CD2 3.47Å; M332-F337 HydrophobicContact SD-CE2 4.35Å; M332-F337 HydrophobicContact SD-CG 3.97Å; M332-L340 HydrophobicContact CE-CD1 4.23Å
333	N	98.8	Very high	97.6	Very high	13 Å²	13	21.4 Å²	21.4	7%	0.07	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	131.2	173.5	178.8	-87.2	0	0	0	110.9	I262 R266 Q335 Y336 F337	I262-N333 HydrophobicContact CG2-CB 3.99Å; R266-N333 HydrophobicContact CB-CB 4.22Å; N333-Q335 PolarHBondContact O-N 3.05Å; N333-Q335 WeakPolarHBondContact OD1-CB 3.41Å; N333-Q335 PolarHBondContact OD1-N 3.25Å; N333-Q335 VanDerWaalsContact OD1-N 3.08Å; N333-Y336 PolarHBondContact O-N 3.35Å; N333-Y336 PolarHBondContact OD1-N 3.18Å; N333-F337 PolarHBondContact O-N 2.72Å
334	R	98.7	Very high	97.6	Very high	72 Å²	72	21.5 Å²	21.5	27%	0.272	11%	0.111	S	C	.	.	H	α-helix	trans	-61.4	-43.4	-175.4	-176	174.6	62	79.7	0.3	112.1	A236 G238 E239 L241 M332 Y336 F337 H338	A236-R334 WeakPolarHBondContact O-CD 3.44Å; G238-R334 WeakPolarHBondContact O-CD 3.34Å; G238-R334 PolarHBondContact O-NE 3.4Å; E239-R334 WeakPolarHBondContact O-CB 3.46Å; E239-R334 PolarHBondContact O-N 3.38Å; L241-R334 HydrophobicContact CD1-CB 4.31Å; L241-R334 HydrophobicContact CD1-CG 4.08Å; L241-R334 HydrophobicContact CD2-CB 4.35Å; L241-R334 HydrophobicContact CD2-CG 4.03Å; L241-R334 HydrophobicContact CG-CB 3.88Å; L241-R334 HydrophobicContact CG-CG 3.93Å; M332-R334 PolarHBondContact O-N 2.83Å; R334-Y336 VanDerWaalsContact C-N 3.34Å; R334-Y336 PolarHBondContact O-N 3.44Å; R334-F337 WeakPolarHBondContact O-CB 3.34Å; R334-F337 PolarHBondContact O-N 2.65Å; R334-H338 PolarHBondContact O-CD2 3.15Å; R334-H338 PolarHBondContact O-N 2.89Å
335	Q	98.5	Very high	97.5	Very high	100 Å²	100	24.2 Å²	24.2	47%	0.467	13%	0.13	S	C	.	.	H	α-helix	trans	-65.5	-40.4	178.7	-173.4	59.1	30.5	0	0	111	N333 F337 H338 E339	N333-Q335 PolarHBondContact O-N 3.05Å; N333-Q335 WeakPolarHBondContact OD1-CB 3.41Å; N333-Q335 PolarHBondContact OD1-N 3.25Å; N333-Q335 VanDerWaalsContact OD1-N 3.08Å; Q335-F337 VanDerWaalsContact C-N 3.33Å; Q335-F337 PolarHBondContact O-N 2.91Å; Q335-H338 PolarHBondContact O-N 2.79Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.46Å; Q335-E339 WeakPolarHBondContact O-CG 3.33Å; Q335-E339 PolarHBondContact O-N 2.64Å
336	Y	98.7	Very high	97.5	Very high	9 Å²	9	25 Å²	25	4%	0.035	14%	0.139	C	C	.	.	H	α-helix	trans	-63.2	-37.3	174.6	-174.3	-132.8	0	0	0	112.9	H267 V269 M332 N333 R334 H338 E339 L340 G366	H267-Y336 HydrophobicContact CB-CE1 4.22Å; H267-Y336 HydrophobicContact CB-CE2 4.32Å; H267-Y336 AromaticContact CD2-CD2 3.35Å; H267-Y336 WeakPolarHBondContact CD2-CD2 3.45Å; H267-Y336 AromaticContact CD2-CE2 3.35Å; H267-Y336 WeakPolarHBondContact CD2-CE2 3.32Å; H267-Y336 AromaticContact CD2-CG 3.92Å; H267-Y336 AromaticContact CD2-CZ 3.93Å; H267-Y336 WeakPolarHBondContact O-CE1 3.4Å; V269-Y336 HydrophobicContact CG2-CD1 4.44Å; V269-Y336 HydrophobicContact CG2-CE1 4.16Å; M332-Y336 HydrophobicContact CE-CD1 3.8Å; M332-Y336 HydrophobicContact CE-CE1 4.4Å; M332-Y336 HydrophobicContact CE-CG 4.45Å; N333-Y336 PolarHBondContact O-N 3.35Å; N333-Y336 PolarHBondContact OD1-N 3.18Å; R334-Y336 VanDerWaalsContact C-N 3.34Å; R334-Y336 PolarHBondContact O-N 3.44Å; Y336-H338 VanDerWaalsContact C-N 3.31Å; Y336-H338 PolarHBondContact O-N 3.03Å; Y336-E339 PolarHBondContact O-N 3.24Å; Y336-L340 HydrophobicContact CD1-CD1 4.15Å; Y336-L340 HydrophobicContact CD2-CD1 4.47Å; Y336-L340 HydrophobicContact CD2-CG 4.03Å; Y336-L340 HydrophobicContact CE1-CD1 3.57Å; Y336-L340 HydrophobicContact CE1-CG 4.15Å; Y336-L340 HydrophobicContact CE2-CD1 3.96Å; Y336-L340 HydrophobicContact CE2-CD2 3.79Å; Y336-L340 HydrophobicContact CE2-CG 3.59Å; Y336-L340 VanDerWaalsContact CZ-CD1 3.48Å; Y336-L340 WeakPolarHBondContact O-CB 3.39Å; Y336-L340 PolarHBondContact O-N 3.2Å; Y336-G366 WeakPolarHBondContact OH-CA 3.44Å; Y336-G366 PolarHBondContact OH-N 2.86Å
337	F	98.5	Very high	97.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.2	-42.2	173.7	-177.9	-114.7	0	0	0	112.1	M230 A233 L241 F243 M332 N333 R334 Q335 Q342 Y343 I357	M230-F337 HydrophobicContact CG-CZ 4.46Å; A233-F337 HydrophobicContact CB-CD1 4.06Å; A233-F337 HydrophobicContact CB-CE1 3.66Å; L241-F337 HydrophobicContact CD1-CB 3.96Å; L241-F337 HydrophobicContact CD1-CD1 3.61Å; L241-F337 HydrophobicContact CD1-CE1 4.32Å; L241-F337 HydrophobicContact CD1-CG 3.93Å; F243-F337 HydrophobicContact CZ-CZ 4.41Å; M332-F337 VanDerWaalsContact CE-CA 3.41Å; M332-F337 HydrophobicContact CE-CB 3.62Å; M332-F337 HydrophobicContact CE-CD2 3.93Å; M332-F337 HydrophobicContact CE-CG 4.28Å; M332-F337 HydrophobicContact CG-CB 4.2Å; M332-F337 HydrophobicContact SD-CB 3.77Å; M332-F337 HydrophobicContact SD-CD2 3.41Å; M332-F337 WeakPolarHBondContact SD-CD2 3.47Å; M332-F337 HydrophobicContact SD-CE2 4.35Å; M332-F337 HydrophobicContact SD-CG 3.97Å; N333-F337 PolarHBondContact O-N 2.72Å; R334-F337 WeakPolarHBondContact O-CB 3.34Å; R334-F337 PolarHBondContact O-N 2.65Å; Q335-F337 VanDerWaalsContact C-N 3.33Å; Q335-F337 PolarHBondContact O-N 2.91Å; F337-Q342 HydrophobicContact CD1-CB 4.24Å; F337-Q342 HydrophobicContact CD1-CG 3.9Å; F337-Q342 HydrophobicContact CE1-CB 3.62Å; F337-Q342 HydrophobicContact CE1-CG 3.65Å; F337-Q342 HydrophobicContact CE2-CB 4.2Å; F337-Q342 HydrophobicContact CZ-CB 3.61Å; F337-Q342 HydrophobicContact CZ-CG 4.18Å; F337-Q342 WeakPolarHBondContact O-CA 3.27Å; F337-Q342 PolarHBondContact O-N 2.92Å; F337-Y343 HydrophobicContact CE2-CD2 4.13Å; F337-Y343 HydrophobicContact CE2-CE2 4.16Å; F337-Y343 AromaticContact CZ-CD2 3.91Å; F337-Y343 HydrophobicContact CZ-CD2 3.91Å; F337-Y343 HydrophobicContact CZ-CE2 4.2Å; F337-I357 HydrophobicContact CD2-CD1 4.38Å; F337-I357 HydrophobicContact CE2-CD1 4.02Å
338	H	97.9	Very high	97.6	Very high	55 Å²	55	25.2 Å²	25.2	26%	0.255	14%	0.136	S	C	.	.	H	α-helix	trans	-68.1	-42.3	175.4	-64.6	-57.4	0	0	0	112.6	R334 Q335 Y336 L340 G341 Q342	R334-H338 PolarHBondContact O-CD2 3.15Å; R334-H338 PolarHBondContact O-N 2.89Å; Q335-H338 PolarHBondContact O-N 2.79Å; Y336-H338 VanDerWaalsContact C-N 3.31Å; Y336-H338 PolarHBondContact O-N 3.03Å; H338-L340 VanDerWaalsContact C-N 3.32Å; H338-L340 PolarHBondContact O-N 3.36Å; H338-G341 WeakPolarHBondContact O-CA 3.32Å; H338-G341 PolarHBondContact O-N 3.07Å; H338-Q342 PolarHBondContact ND1-NE2 3.01Å
339	E	97.8	Very high	97.5	Very high	70 Å²	70	25.6 Å²	25.6	33%	0.327	14%	0.135	S	C	.	.	H	α-helix	trans	-62.6	-37.4	177.9	-72.7	169.5	-170	0	0	112.9	R266 Q335 Y336 G341	R266-E339 IonicContact CZ-OE1 3.99Å; R266-E339 IonicContact CZ-OE2 2.7Å; R266-E339 VanDerWaalsContact NH1-CD 3.3Å; R266-E339 IonicContact NH1-OE1 2.62Å; R266-E339 PolarHBondContact NH1-OE1 3.4Å; R266-E339 IonicContact NH1-OE2 3.36Å; R266-E339 PolarHBondContact NH1-OE2 3.44Å; R266-E339 VanDerWaalsContact NH2-CD 3.31Å; R266-E339 IonicContact NH2-OE1 2.92Å; R266-E339 PolarHBondContact NH2-OE1 2.8Å; R266-E339 VanDerWaalsContact NH2-OE1 3.12Å; R266-E339 IonicContact NH2-OE2 3.88Å; R266-E339 PolarHBondContact NH2-OE2 3.2Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.46Å; Q335-E339 WeakPolarHBondContact O-CG 3.33Å; Q335-E339 PolarHBondContact O-N 2.64Å; Y336-E339 PolarHBondContact O-N 3.24Å; E339-G341 PolarHBondContact O-N 2.98Å
340	L	97.9	Very high	97.3	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	0.5	172	-74.7	-173.8	0	0	0	113.2	M332 Y336 H338 R360 I361 C364 L439	M332-L340 HydrophobicContact CE-CD1 4.23Å; Y336-L340 HydrophobicContact CD1-CD1 4.15Å; Y336-L340 HydrophobicContact CD2-CD1 4.47Å; Y336-L340 HydrophobicContact CD2-CG 4.03Å; Y336-L340 HydrophobicContact CE1-CD1 3.57Å; Y336-L340 HydrophobicContact CE1-CG 4.15Å; Y336-L340 HydrophobicContact CE2-CD1 3.96Å; Y336-L340 HydrophobicContact CE2-CD2 3.79Å; Y336-L340 HydrophobicContact CE2-CG 3.59Å; Y336-L340 VanDerWaalsContact CZ-CD1 3.48Å; Y336-L340 WeakPolarHBondContact O-CB 3.39Å; Y336-L340 PolarHBondContact O-N 3.2Å; H338-L340 VanDerWaalsContact C-N 3.32Å; H338-L340 PolarHBondContact O-N 3.36Å; L340-R360 HydrophobicContact CD2-CG 4.1Å; L340-R360 WeakPolarHBondContact O-CD 3.44Å; L340-R360 PolarHBondContact O-NE 2.81Å; L340-I361 HydrophobicContact CD1-CG1 3.82Å; L340-C364 HydrophobicContact CD2-CB 4.28Å; L340-L439 HydrophobicContact CD2-CD1 4.19Å
341	G	97.9	Very high	96.9	Very high	19 Å²	19	28.3 Å²	28.3	20%	0.196	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	34.9	-177.9	0	0	0	0	0	113.1	H338 E339 Y343 R432	H338-G341 WeakPolarHBondContact O-CA 3.32Å; H338-G341 PolarHBondContact O-N 3.07Å; E339-G341 PolarHBondContact O-N 2.98Å; G341-Y343 PolarHBondContact O-N 3.35Å; G341-R432 PolarHBondContact O-NH1 3.11Å; G341-R432 PolarHBondContact O-NH2 3.41Å
342	Q	97.7	Very high	96.8	Very high	53 Å²	53	28.3 Å²	28.3	25%	0.248	15%	0.145	C	C	.	.	S	Bend	trans	53.7	-128.8	170.2	-53.5	-179.5	23.2	0	0	113	M230 F337 H338 R360	M230-Q342 HydrophobicContact CG-CB 4.2Å; M230-Q342 HydrophobicContact SD-CB 3.99Å; F337-Q342 HydrophobicContact CD1-CB 4.24Å; F337-Q342 HydrophobicContact CD1-CG 3.9Å; F337-Q342 HydrophobicContact CE1-CB 3.62Å; F337-Q342 HydrophobicContact CE1-CG 3.65Å; F337-Q342 HydrophobicContact CE2-CB 4.2Å; F337-Q342 HydrophobicContact CZ-CB 3.61Å; F337-Q342 HydrophobicContact CZ-CG 4.18Å; F337-Q342 WeakPolarHBondContact O-CA 3.27Å; F337-Q342 PolarHBondContact O-N 2.92Å; H338-Q342 PolarHBondContact ND1-NE2 3.01Å; Q342-R360 PolarHBondContact O-NH2 3.38Å
343	Y	98.2	Very high	96.7	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.008	15%	0.146	C	C	.	.	S	Bend	trans	-99.2	164	164.2	-77.2	-72.6	0	0	0	110.6	I226 R229 M230 F330 F337 G341 S345 E353 I357	I226-Y343 HydrophobicContact CG2-CD1 4.42Å; I226-Y343 HydrophobicContact CG2-CD2 4.41Å; I226-Y343 HydrophobicContact CG2-CG 3.92Å; R229-Y343 HydrophobicContact CB-CE2 4.26Å; R229-Y343 PolarHBondContact NH1-OH 2.86Å; M230-Y343 HydrophobicContact CG-CD2 4.21Å; F330-Y343 VanDerWaalsContact CE1-OH 3.25Å; F330-Y343 WeakPolarHBondContact CE1-OH 3.5Å; F330-Y343 HydrophobicContact CZ-CE2 4.44Å; F330-Y343 VanDerWaalsContact CZ-OH 3.25Å; F330-Y343 WeakPolarHBondContact CZ-OH 3.26Å; F337-Y343 HydrophobicContact CE2-CD2 4.13Å; F337-Y343 HydrophobicContact CE2-CE2 4.16Å; F337-Y343 AromaticContact CZ-CD2 3.91Å; F337-Y343 HydrophobicContact CZ-CD2 3.91Å; F337-Y343 HydrophobicContact CZ-CE2 4.2Å; G341-Y343 PolarHBondContact O-N 3.35Å; Y343-S345 PolarHBondContact O-N 3.13Å; Y343-E353 HydrophobicContact CD1-CB 3.97Å; Y343-E353 HydrophobicContact CD1-CG 4.39Å; Y343-E353 HydrophobicContact CE1-CB 3.95Å; Y343-E353 HydrophobicContact CE1-CG 3.92Å; Y343-I357 HydrophobicContact CD1-CB 4.27Å; Y343-I357 HydrophobicContact CD1-CD1 4.21Å; Y343-I357 HydrophobicContact CE1-CB 3.83Å; Y343-I357 HydrophobicContact CE1-CD1 3.74Å; Y343-I357 HydrophobicContact CE1-CG1 4.37Å; Y343-I357 HydrophobicContact CE1-CG2 3.85Å; Y343-I357 HydrophobicContact CE2-CD1 4.45Å
344	D	98.2	Very high	96.7	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.011	15%	0.145	C	C	.	.			trans	-69.5	108.7	166.8	177.3	8.7	0	0	0	110	G346 M347 R401 R432	D344-G346 PolarHBondContact O-N 3.01Å; D344-G346 PolarHBondContact OD1-N 2.73Å; D344-M347 HydrophobicContact CB-CG 4.01Å; D344-M347 HydrophobicContact CB-SD 4.28Å; D344-M347 WeakPolarHBondContact O-CB 3.44Å; D344-M347 PolarHBondContact O-N 2.7Å; D344-R401 IonicContact OD1-CZ 3.46Å; D344-R401 IonicContact OD1-NE 2.8Å; D344-R401 IonicContact OD1-NH2 3.66Å; D344-R401 PolarHBondContact OD1-NH2 2.89Å; D344-R401 IonicContact OD2-CZ 3.2Å; D344-R401 IonicContact OD2-NE 3.04Å; D344-R401 PolarHBondContact OD2-NE 3.31Å; D344-R401 IonicContact OD2-NH2 3.42Å; D344-R401 PolarHBondContact OD2-NH2 2.86Å; D344-R401 VanDerWaalsContact OD2-NH2 3.15Å; D344-R432 HydrophobicContact CB-CG 4.34Å
345	S	96.9	Very high	96.7	Very high	57 Å²	57	25 Å²	25	40%	0.399	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.6	-178.8	61.4	0	0	0	0	114.1	R227 Y343 M347	R227-S345 PolarHBondContact NE-O 2.79Å; R227-S345 PolarHBondContact NH2-O 2.99Å; Y343-S345 PolarHBondContact O-N 3.13Å; S345-M347 VanDerWaalsContact C-N 3.28Å
346	G	96.6	Very high	96.7	Very high	20 Å²	20	20.3 Å²	20.3	21%	0.206	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-1.4	173.8	0	0	0	0	0	114.5	D344 H397 R401	D344-G346 PolarHBondContact O-N 3.01Å; D344-G346 PolarHBondContact OD1-N 2.73Å; G346-H397 PolarHBondContact O-NE2 3.29Å; G346-R401 VanDerWaalsContact O-CD 3.31Å; G346-R401 WeakPolarHBondContact O-CD 3.48Å; G346-R401 PolarHBondContact O-NE 2.94Å
347	M	96.6	Very high	96.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.109	C	C	.	.			trans	-83.1	141.4	169.8	-67.2	-174.6	164.2	0	0	111.5	I226 R227 D344 S345 E353 E356 N398 R401 L402	I226-M347 HydrophobicContact CD1-CB 3.59Å; R227-M347 PolarHBondContact NH2-O 2.89Å; D344-M347 HydrophobicContact CB-CG 4.01Å; D344-M347 HydrophobicContact CB-SD 4.28Å; D344-M347 WeakPolarHBondContact O-CB 3.44Å; D344-M347 PolarHBondContact O-N 2.7Å; S345-M347 VanDerWaalsContact C-N 3.28Å; M347-E353 HydrophobicContact SD-CB 3.99Å; M347-E356 HydrophobicContact CE-CB 3.7Å; M347-E356 HydrophobicContact CE-CG 3.6Å; M347-E356 HydrophobicContact SD-CB 4.45Å; M347-N398 VanDerWaalsContact CA-OD1 3.23Å; M347-N398 WeakPolarHBondContact CA-OD1 3.43Å; M347-N398 HydrophobicContact CB-CB 4.25Å; M347-N398 WeakPolarHBondContact CB-OD1 3.41Å; M347-N398 HydrophobicContact CE-CB 4.24Å; M347-N398 WeakPolarHBondContact CE-O 3.11Å; M347-N398 HydrophobicContact CG-CB 3.96Å; M347-N398 HydrophobicContact SD-CB 4.17Å; M347-R401 HydrophobicContact CE-CB 4.5Å; M347-L402 HydrophobicContact CE-CB 4Å
348	D	93.7	Very high	96.7	Very high	39 Å²	39	19.9 Å²	19.9	21%	0.209	11%	0.109	C	C	.	.			trans	-108.1	136.6	-172.8	-64.6	-44.4	0	0	0	112.1	R227 W350 T394 H397 N398	R227-D348 IonicContact CZ-OD1 3.91Å; R227-D348 IonicContact NH1-OD1 2.72Å; R227-D348 IonicContact NH2-OD1 2.64Å; R227-D348 PolarHBondContact NH2-OD1 2.85Å; D348-W350 VanDerWaalsContact C-N 3.29Å; D348-W350 PolarHBondContact O-N 3.07Å; D348-T394 HydrophobicContact CB-CG2 3.97Å; D348-T394 WeakPolarHBondContact O-CB 3.18Å; D348-H397 IonicContact OD2-CD2 3.53Å; D348-H397 PolarHBondContact OD2-CD2 3.45Å; D348-H397 IonicContact OD2-NE2 3.7Å; D348-H397 PolarHBondContact OD2-NE2 3.27Å; D348-N398 PolarHBondContact N-ND2 3.45Å; D348-N398 PolarHBondContact N-OD1 3.42Å; D348-N398 PolarHBondContact O-ND2 3.41Å
349	I	91.2	Very high	96.7	Very high	17 Å²	17	17.3 Å²	17.3	9%	0.087	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	51.8	-75.4	171.3	-51.1	-59.9	0	0	0	115.4	R222 L225 P389 T394	R222-I349 HydrophobicContact CG-CD1 4.38Å; L225-I349 WeakPolarHBondContact CB-O 3.39Å; L225-I349 PolarHBondContact N-O 3.28Å; I349-P389 HydrophobicContact CD1-CG 4.31Å; I349-T394 HydrophobicContact CB-CG2 4.12Å; I349-T394 HydrophobicContact CG1-CG2 4.18Å
350	W	92.4	Very high	96.7	Very high	63 Å²	63	14 Å²	14	24%	0.239	8%	0.081	C	C	.	.	S	Bend	trans	-155.4	141.9	-171.7	-176.6	92.8	0	0	0	110.7	D348 R384 T394 M395 N398	D348-W350 VanDerWaalsContact C-N 3.29Å; D348-W350 PolarHBondContact O-N 3.07Å; W350-R384 VanDerWaalsContact CH2-CZ 3.46Å; W350-R384 VanDerWaalsContact CZ3-CZ 3.48Å; W350-R384 VanDerWaalsContact CZ3-NH2 3.26Å; W350-T394 PolarHBondContact O-OG1 3Å; W350-M395 HydrophobicContact CE3-SD 4.43Å; W350-M395 HydrophobicContact CH2-SD 4.35Å; W350-M395 HydrophobicContact CZ3-SD 3.67Å; W350-N398 PolarHBondContact O-ND2 2.67Å
351	G	92.1	Very high	96.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	113.4	137	163.7	0	0	0	0	0	112.8	E353 M395 N398	G351-E353 VanDerWaalsContact CA-OE2 3.23Å; G351-E353 WeakPolarHBondContact CA-OE2 3.31Å; G351-E353 PolarHBondContact N-OE2 3.23Å; G351-E353 PolarHBondContact O-N 3.42Å; G351-M395 WeakPolarHBondContact CA-SD 2.86Å; G351-N398 WeakPolarHBondContact O-CB 3.39Å; G351-N398 PolarHBondContact O-ND2 3.11Å
352	G	94.9	Very high	96.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	80	-18.5	175.7	0	0	0	0	0	114.7	N354 L355 E356	G352-N354 VanDerWaalsContact C-N 3.26Å; G352-N354 PolarHBondContact O-N 3.44Å; G352-L355 PolarHBondContact O-N 3.04Å; G352-E356 WeakPolarHBondContact O-CB 3.28Å; G352-E356 PolarHBondContact O-N 2.73Å
353	E	97.8	Very high	96.8	Very high	5 Å²	5	11.4 Å²	11.4	2%	0.023	6%	0.063	C	C	.	.	H	α-helix	trans	-62.8	-35.5	-178.9	80.6	-67.4	161.9	0	0	112.2	I226 Y343 M347 G351 E356 I357	I226-E353 HydrophobicContact CD1-CB 3.91Å; I226-E353 HydrophobicContact CD1-CG 4.37Å; I226-E353 HydrophobicContact CG1-CB 3.72Å; I226-E353 HydrophobicContact CG1-CG 3.8Å; Y343-E353 HydrophobicContact CD1-CB 3.97Å; Y343-E353 HydrophobicContact CD1-CG 4.39Å; Y343-E353 HydrophobicContact CE1-CB 3.95Å; Y343-E353 HydrophobicContact CE1-CG 3.92Å; M347-E353 HydrophobicContact SD-CB 3.99Å; G351-E353 VanDerWaalsContact CA-OE2 3.23Å; G351-E353 WeakPolarHBondContact CA-OE2 3.31Å; G351-E353 PolarHBondContact N-OE2 3.23Å; G351-E353 PolarHBondContact O-N 3.42Å; E353-E356 PolarHBondContact O-N 3.45Å; E353-I357 WeakPolarHBondContact O-CG2 3.43Å; E353-I357 PolarHBondContact O-N 2.92Å
354	N	97.8	Very high	96.9	Very high	10 Å²	10	12.4 Å²	12.4	5%	0.053	7%	0.07	C	C	.	.	H	α-helix	trans	-68	-37.8	-179.7	69.1	-54.5	0	0	0	111.6	M325 A326 G352 S358	M325-N354 HydrophobicContact CG-CB 4.41Å; M325-N354 PolarHBondContact O-ND2 3.48Å; A326-N354 PolarHBondContact O-ND2 2.81Å; G352-N354 VanDerWaalsContact C-N 3.26Å; G352-N354 PolarHBondContact O-N 3.44Å; N354-S358 WeakPolarHBondContact O-CB 3.49Å; N354-S358 PolarHBondContact O-N 2.56Å; N354-S358 PolarHBondContact O-OG 3.05Å
355	L	98.5	Very high	96.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-72.1	-42.4	173.9	-61	-171.7	0	0	0	110.9	F294 L298 T324 G352 S358 F359 L402	F294-L355 HydrophobicContact CB-CD1 4.02Å; F294-L355 HydrophobicContact CB-CD2 3.84Å; L298-L355 HydrophobicContact CB-CD1 4.21Å; L298-L355 WeakPolarHBondContact O-CD1 3.44Å; T324-L355 HydrophobicContact CG2-CD2 3.68Å; G352-L355 PolarHBondContact O-N 3.04Å; L355-S358 WeakPolarHBondContact O-CB 3.16Å; L355-S358 PolarHBondContact O-N 2.67Å; L355-F359 HydrophobicContact CB-CE2 4.23Å; L355-F359 HydrophobicContact CB-CZ 4.25Å; L355-F359 WeakPolarHBondContact O-CD2 3.35Å; L355-F359 WeakPolarHBondContact O-CG 3.33Å; L355-F359 PolarHBondContact O-N 2.77Å; L355-L402 HydrophobicContact CB-CD1 3.57Å
356	E	98.6	Very high	96.9	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-60.2	-50.1	-178.7	-162.6	-84.5	162.6	0	0	112.3	M347 G352 E353 S358 F359 R360 L402 W406	M347-E356 HydrophobicContact CE-CB 3.7Å; M347-E356 HydrophobicContact CE-CG 3.6Å; M347-E356 HydrophobicContact SD-CB 4.45Å; G352-E356 WeakPolarHBondContact O-CB 3.28Å; G352-E356 PolarHBondContact O-N 2.73Å; E353-E356 PolarHBondContact O-N 3.45Å; E356-S358 VanDerWaalsContact C-N 3.32Å; E356-S358 PolarHBondContact O-N 2.96Å; E356-F359 PolarHBondContact O-N 2.93Å; E356-R360 WeakPolarHBondContact O-CB 3.19Å; E356-R360 PolarHBondContact O-N 3.14Å; E356-R360 IonicContact OE1-CZ 3.25Å; E356-R360 IonicContact OE1-NH1 2.64Å; E356-R360 PolarHBondContact OE1-NH1 3.01Å; E356-R360 IonicContact OE2-CZ 3.17Å; E356-R360 IonicContact OE2-NH1 3.21Å; E356-R360 PolarHBondContact OE2-NH1 2.93Å; E356-R360 IonicContact OE2-NH2 2.72Å; E356-R360 PolarHBondContact OE2-NH2 2.81Å; E356-L402 HydrophobicContact CB-CB 4.11Å; E356-L402 HydrophobicContact CB-CD1 3.86Å; E356-L402 HydrophobicContact CG-CB 3.99Å; E356-L402 HydrophobicContact CG-CD1 4.46Å; E356-L402 VanDerWaalsContact N-CD1 3.31Å; E356-W406 PolarHBondContact OE1-NE1 3.49Å
357	I	98.4	Very high	97	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-67.5	-34.9	177.2	-161.3	168.6	0	0	0	111.4	M325 F337 Y343 E353 R360 I361	M325-I357 HydrophobicContact CE-CG2 3.87Å; M325-I357 HydrophobicContact SD-CG2 3.85Å; F337-I357 HydrophobicContact CD2-CD1 4.38Å; F337-I357 HydrophobicContact CE2-CD1 4.02Å; Y343-I357 HydrophobicContact CD1-CB 4.27Å; Y343-I357 HydrophobicContact CD1-CD1 4.21Å; Y343-I357 HydrophobicContact CE1-CB 3.83Å; Y343-I357 HydrophobicContact CE1-CD1 3.74Å; Y343-I357 HydrophobicContact CE1-CG1 4.37Å; Y343-I357 HydrophobicContact CE1-CG2 3.85Å; Y343-I357 HydrophobicContact CE2-CD1 4.45Å; E353-I357 WeakPolarHBondContact O-CG2 3.43Å; E353-I357 PolarHBondContact O-N 2.92Å; I357-R360 PolarHBondContact O-N 3.04Å; I357-I361 HydrophobicContact CG1-CD1 3.99Å; I357-I361 HydrophobicContact CG1-CG1 4.35Å; I357-I361 WeakPolarHBondContact O-CB 3.4Å; I357-I361 WeakPolarHBondContact O-CD1 3.44Å; I357-I361 WeakPolarHBondContact O-CG1 3.43Å; I357-I361 PolarHBondContact O-N 2.94Å
358	S	98.8	Very high	97.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.4	-46.6	176.6	-63	0	0	0	0	112.2	T324 M325 N354 L355 E356 I361 W362	T324-S358 WeakPolarHBondContact CA-OG 3.25Å; M325-S358 PolarHBondContact N-OG 2.85Å; N354-S358 WeakPolarHBondContact O-CB 3.49Å; N354-S358 PolarHBondContact O-N 2.56Å; N354-S358 PolarHBondContact O-OG 3.05Å; L355-S358 WeakPolarHBondContact O-CB 3.16Å; L355-S358 PolarHBondContact O-N 2.67Å; E356-S358 VanDerWaalsContact C-N 3.32Å; E356-S358 PolarHBondContact O-N 2.96Å; S358-I361 PolarHBondContact O-N 3.17Å; S358-W362 PolarHBondContact O-N 3.32Å
359	F	98.7	Very high	97.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.5	-45.2	177	-61.7	-20.8	0	0	0	110.5	F294 T324 L355 E356 I361 W362 M363 L402 W406 L407 F444 Y447	F294-F359 HydrophobicContact CD1-CE1 4.05Å; F294-F359 HydrophobicContact CD1-CZ 4.05Å; F294-F359 HydrophobicContact CD2-CZ 4.3Å; F294-F359 AromaticContact CE1-CE1 3.76Å; F294-F359 HydrophobicContact CE1-CE1 3.76Å; F294-F359 AromaticContact CE1-CZ 3.82Å; F294-F359 HydrophobicContact CE1-CZ 3.82Å; F294-F359 HydrophobicContact CE2-CZ 4.11Å; F294-F359 HydrophobicContact CG-CZ 4.32Å; F294-F359 HydrophobicContact CZ-CE1 4.22Å; F294-F359 AromaticContact CZ-CZ 3.89Å; F294-F359 HydrophobicContact CZ-CZ 3.89Å; T324-F359 HydrophobicContact CG2-CE1 4.12Å; L355-F359 HydrophobicContact CB-CE2 4.23Å; L355-F359 HydrophobicContact CB-CZ 4.25Å; L355-F359 WeakPolarHBondContact O-CD2 3.35Å; L355-F359 WeakPolarHBondContact O-CG 3.33Å; L355-F359 PolarHBondContact O-N 2.77Å; E356-F359 PolarHBondContact O-N 2.93Å; F359-I361 PolarHBondContact O-N 3.48Å; F359-W362 PolarHBondContact O-N 3.21Å; F359-M363 HydrophobicContact CB-SD 4.01Å; F359-M363 WeakPolarHBondContact O-CB 3.39Å; F359-M363 WeakPolarHBondContact O-CG 3.49Å; F359-M363 PolarHBondContact O-N 3.02Å; F359-L402 HydrophobicContact CD2-CD1 3.62Å; F359-L402 HydrophobicContact CD2-CG 4.37Å; F359-L402 HydrophobicContact CE2-CD1 3.51Å; F359-L402 HydrophobicContact CE2-CG 4.23Å; F359-W406 HydrophobicContact CB-CB 4.32Å; F359-W406 HydrophobicContact CB-CG 4.38Å; F359-W406 HydrophobicContact CD2-CB 4.13Å; F359-L407 HydrophobicContact CD2-CD2 4.31Å; F359-L407 HydrophobicContact CE2-CD2 3.75Å; F359-L407 HydrophobicContact CZ-CD2 4.37Å; F359-F444 HydrophobicContact CD1-CE2 4.09Å; F359-F444 HydrophobicContact CD2-CE2 4.1Å; F359-F444 HydrophobicContact CE1-CE2 4.06Å; F359-F444 HydrophobicContact CE1-CZ 4.35Å; F359-F444 HydrophobicContact CE2-CE2 4.06Å; F359-F444 HydrophobicContact CE2-CZ 4.43Å; F359-F444 HydrophobicContact CG-CE2 4.12Å; F359-F444 HydrophobicContact CZ-CE2 4.06Å; F359-F444 HydrophobicContact CZ-CZ 4.16Å; F359-Y447 HydrophobicContact CD1-CE1 4.16Å; F359-Y447 HydrophobicContact CD1-CE2 4.05Å; F359-Y447 AromaticContact CD1-CZ 3.77Å; F359-Y447 HydrophobicContact CE1-CE1 4Å; F359-Y447 AromaticContact CE1-CZ 3.85Å
360	R	98.4	Very high	97.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.2	-49.2	176.2	176.4	166.4	54.1	-102.5	-7.1	112	L340 Q342 E356 I357 W362 C364 W406 R432	L340-R360 HydrophobicContact CD2-CG 4.1Å; L340-R360 WeakPolarHBondContact O-CD 3.44Å; L340-R360 PolarHBondContact O-NE 2.81Å; Q342-R360 PolarHBondContact O-NH2 3.38Å; E356-R360 WeakPolarHBondContact O-CB 3.19Å; E356-R360 PolarHBondContact O-N 3.14Å; E356-R360 IonicContact OE1-CZ 3.25Å; E356-R360 IonicContact OE1-NH1 2.64Å; E356-R360 PolarHBondContact OE1-NH1 3.01Å; E356-R360 IonicContact OE2-CZ 3.17Å; E356-R360 IonicContact OE2-NH1 3.21Å; E356-R360 PolarHBondContact OE2-NH1 2.93Å; E356-R360 IonicContact OE2-NH2 2.72Å; E356-R360 PolarHBondContact OE2-NH2 2.81Å; I357-R360 PolarHBondContact O-N 3.04Å; R360-W362 PolarHBondContact O-N 3.18Å; R360-C364 WeakPolarHBondContact O-CB 3.5Å; R360-C364 PolarHBondContact O-N 3.18Å; R360-C364 PolarHBondContact O-SG 2.85Å; R360-W406 HydrophobicContact CB-CH2 3.77Å; R360-W406 HydrophobicContact CB-CZ2 3.68Å; R360-W406 HydrophobicContact CB-CZ3 4.38Å; R360-W406 HydrophobicContact CG-CH2 3.79Å; R360-W406 HydrophobicContact CG-CZ2 3.95Å; R360-R432 VanDerWaalsContact CZ-NH2 3.31Å
361	I	98.7	Very high	97.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-53.8	-55.7	179.6	-71.6	157.6	0	0	0	109.9	V269 M325 L340 I357 S358 F359 G365 G366 L368	V269-I361 HydrophobicContact CB-CD1 3.9Å; V269-I361 HydrophobicContact CB-CG2 4.5Å; V269-I361 HydrophobicContact CG1-CD1 3.94Å; V269-I361 HydrophobicContact CG2-CD1 3.61Å; V269-I361 HydrophobicContact CG2-CG1 3.92Å; V269-I361 HydrophobicContact CG2-CG2 4.15Å; M325-I361 HydrophobicContact CE-CD1 3.54Å; L340-I361 HydrophobicContact CD1-CG1 3.82Å; I357-I361 HydrophobicContact CG1-CD1 3.99Å; I357-I361 HydrophobicContact CG1-CG1 4.35Å; I357-I361 WeakPolarHBondContact O-CB 3.4Å; I357-I361 WeakPolarHBondContact O-CD1 3.44Å; I357-I361 WeakPolarHBondContact O-CG1 3.43Å; I357-I361 PolarHBondContact O-N 2.94Å; S358-I361 PolarHBondContact O-N 3.17Å; F359-I361 PolarHBondContact O-N 3.48Å; I361-G365 PolarHBondContact O-N 3.03Å; I361-G366 CarbonylContact O-C 3.55Å; I361-G366 VanDerWaalsContact O-CA 3.23Å; I361-G366 WeakPolarHBondContact O-CA 3.19Å; I361-G366 PolarHBondContact O-N 2.95Å; I361-L368 HydrophobicContact CG2-CB 4.37Å
362	W	98.6	Very high	97.9	Very high	22 Å²	22	11.9 Å²	11.9	8%	0.083	7%	0.071	C	C	.	.	H	α-helix	trans	-67	-49.4	-176.8	-81.9	116.7	0	0	0	113.4	K321 S322 S358 F359 R360 C364 G365 K367 L368 W446 Y447 V451	K321-W362 HydrophobicContact CG-CH2 4.43Å; S322-W362 PolarHBondContact O-NE1 3.03Å; S358-W362 PolarHBondContact O-N 3.32Å; F359-W362 PolarHBondContact O-N 3.21Å; R360-W362 PolarHBondContact O-N 3.18Å; W362-C364 PolarHBondContact O-N 2.98Å; W362-G365 PolarHBondContact O-N 2.81Å; W362-K367 HydrophobicContact CH2-CB 4.29Å; W362-K367 HydrophobicContact CZ3-CB 4.29Å; W362-K367 HydrophobicContact CZ3-CG 4.3Å; W362-L368 HydrophobicContact CZ2-CB 4.1Å; W362-L368 WeakPolarHBondContact CZ2-O 3.42Å; W362-W446 WeakPolarHBondContact O-CZ3 3.48Å; W362-Y447 HydrophobicContact CB-CD2 3.77Å; W362-Y447 HydrophobicContact CB-CE2 3.9Å; W362-Y447 AromaticContact CD1-CE2 3.76Å; W362-Y447 HydrophobicContact CG-CD2 4.28Å; W362-Y447 AromaticContact CG-CE2 3.99Å; W362-Y447 HydrophobicContact CG-CE2 3.99Å; W362-V451 HydrophobicContact CB-CG2 4.19Å; W362-V451 HydrophobicContact CD2-CB 4.42Å; W362-V451 HydrophobicContact CD2-CG1 3.7Å; W362-V451 HydrophobicContact CD2-CG2 3.78Å; W362-V451 HydrophobicContact CE3-CG1 4.38Å; W362-V451 HydrophobicContact CE3-CG2 3.78Å; W362-V451 HydrophobicContact CG-CG1 3.81Å; W362-V451 HydrophobicContact CG-CG2 4.01Å; W362-V451 HydrophobicContact CZ2-CG1 4.15Å; W362-V451 HydrophobicContact CZ3-CG2 4.44Å
363	M	98.7	Very high	98	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-69.3	-26.7	-173.9	-65.6	170	65.4	0	0	111.6	F359 W406 C441 K442 F444 Y447	F359-M363 HydrophobicContact CB-SD 4.01Å; F359-M363 WeakPolarHBondContact O-CB 3.39Å; F359-M363 WeakPolarHBondContact O-CG 3.49Å; F359-M363 PolarHBondContact O-N 3.02Å; M363-W406 HydrophobicContact CB-CZ3 4.45Å; M363-W406 HydrophobicContact CE-CE3 3.99Å; M363-W406 HydrophobicContact SD-CE3 3.94Å; M363-C441 HydrophobicContact CB-CB 4.36Å; M363-C441 CarbonylContact O-C 3.24Å; M363-C441 VanDerWaalsContact O-CA 3.28Å; M363-C441 WeakPolarHBondContact O-CA 3.47Å; M363-K442 WeakPolarHBondContact CE-O 3.36Å; M363-K442 PolarHBondContact O-N 2.9Å; M363-F444 HydrophobicContact CE-CB 4.32Å; M363-F444 HydrophobicContact CE-CD2 4.35Å; M363-F444 HydrophobicContact SD-CD2 3.88Å; M363-Y447 HydrophobicContact CG-CD2 4.3Å; M363-Y447 HydrophobicContact CG-CG 4.47Å
364	C	98.6	Very high	98	Very high	22 Å²	22	11.7 Å²	11.7	15%	0.149	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	23.2	-179.7	-48.2	0	0	0	0	113.2	L340 R360 W362 L439 C441	L340-C364 HydrophobicContact CD2-CB 4.28Å; R360-C364 WeakPolarHBondContact O-CB 3.5Å; R360-C364 PolarHBondContact O-N 3.18Å; R360-C364 PolarHBondContact O-SG 2.85Å; W362-C364 PolarHBondContact O-N 2.98Å; C364-L439 HydrophobicContact CB-CB 4.3Å; C364-L439 HydrophobicContact CB-CD1 4.31Å; C364-C441 HydrophobicContact CB-CB 4.04Å; C364-C441 WeakPolarHBondContact CB-SG 3.18Å; C364-C441 WeakPolarHBondContact SG-CB 3.44Å; C364-C441 CovalentContact SG-SG 2.03Å; C364-C441 PolarHBondContact SG-SG 2.9Å
365	G	97.7	Very high	98	Very high	52 Å²	52	11.7 Å²	11.7	54%	0.536	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	-2.2	166.3	0	0	0	0	0	116.6	I361 W362	I361-G365 PolarHBondContact O-N 3.03Å; W362-G365 PolarHBondContact O-N 2.81Å
366	G	98.5	Very high	98	Very high	3 Å²	3	11.7 Å²	11.7	3%	0.031	7%	0.069	C	C	.	.			trans	-81.2	-177.3	172.6	0	0	0	0	0	113.7	H267 Y336 I361	H267-G366 VanDerWaalsContact O-CA 3.32Å; H267-G366 WeakPolarHBondContact O-CA 3.47Å; Y336-G366 WeakPolarHBondContact OH-CA 3.44Å; Y336-G366 PolarHBondContact OH-N 2.86Å; I361-G366 CarbonylContact O-C 3.55Å; I361-G366 VanDerWaalsContact O-CA 3.23Å; I361-G366 WeakPolarHBondContact O-CA 3.19Å; I361-G366 PolarHBondContact O-N 2.95Å
367	K	98.3	Very high	98	Very high	84 Å²	84	11.7 Å²	11.7	37%	0.365	7%	0.069	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.2	179.6	-58.9	165.1	-170.6	157.1	0	110	D265 H267 V269 W362 F369	D265-K367 IonicContact OD2-NZ 2.82Å; D265-K367 PolarHBondContact OD2-NZ 3.39Å; H267-K367 PolarHBondContact O-N 2.8Å; H267-K367 VanDerWaalsContact O-N 3.12Å; V269-K367 PolarHBondContact N-O 2.84Å; W362-K367 HydrophobicContact CH2-CB 4.29Å; W362-K367 HydrophobicContact CZ3-CB 4.29Å; W362-K367 HydrophobicContact CZ3-CG 4.3Å; K367-F369 HydrophobicContact CB-CD2 4.19Å; K367-F369 HydrophobicContact CB-CE2 3.58Å; K367-F369 HydrophobicContact CB-CZ 4.33Å; K367-F369 HydrophobicContact CD-CE2 4Å; K367-F369 HydrophobicContact CD-CZ 4.41Å; K367-F369 HydrophobicContact CG-CE2 4.32Å
368	L	98.7	Very high	98	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.6	175.9	179.7	58.6	0	0	0	110.8	V269 S322 M325 I361 W362	V269-L368 HydrophobicContact CB-CD1 4.04Å; V269-L368 HydrophobicContact CG1-CD1 3.86Å; V269-L368 WeakPolarHBondContact O-CA 3.49Å; S322-L368 PolarHBondContact N-O 3.21Å; M325-L368 HydrophobicContact CB-CD1 4.48Å; M325-L368 HydrophobicContact CB-CD2 4.09Å; M325-L368 HydrophobicContact CE-CD1 3.7Å; M325-L368 HydrophobicContact CE-CD2 3.95Å; M325-L368 HydrophobicContact CE-CG 4.48Å; I361-L368 HydrophobicContact CG2-CB 4.37Å; W362-L368 HydrophobicContact CZ2-CB 4.1Å; W362-L368 WeakPolarHBondContact CZ2-O 3.42Å
369	F	97.6	Very high	97.9	Very high	31 Å²	31	12.9 Å²	12.9	14%	0.136	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	150	179	-63.8	-83.9	0	0	0	113	T268 V269 V270 C271 P319 I320 K321 K367 I371	T268-F369 HydrophobicContact CG2-CD2 3.59Å; T268-F369 HydrophobicContact CG2-CE2 3.98Å; V269-F369 PolarHBondContact O-N 3.24Å; V270-F369 CarbonylContact C-O 3.11Å; V270-F369 VanDerWaalsContact CA-O 3.32Å; V270-F369 WeakPolarHBondContact CA-O 3.35Å; V270-F369 HydrophobicContact CG1-CB 4.41Å; C271-F369 PolarHBondContact N-O 2.8Å; P319-F369 HydrophobicContact CB-CB 4.17Å; P319-F369 HydrophobicContact CB-CD1 3.77Å; P319-F369 HydrophobicContact CB-CE1 4.35Å; P319-F369 HydrophobicContact CB-CG 4.04Å; I320-F369 CarbonylContact O-C 3.55Å; I320-F369 WeakPolarHBondContact O-CA 3.43Å; K321-F369 HydrophobicContact CB-CE1 4.41Å; K321-F369 HydrophobicContact CD-CE1 4.47Å; K321-F369 HydrophobicContact CG-CD1 3.96Å; K321-F369 HydrophobicContact CG-CE1 3.39Å; K321-F369 HydrophobicContact CG-CZ 4.22Å; K367-F369 HydrophobicContact CB-CD2 4.19Å; K367-F369 HydrophobicContact CB-CE2 3.58Å; K367-F369 HydrophobicContact CB-CZ 4.33Å; K367-F369 HydrophobicContact CD-CE2 4Å; K367-F369 HydrophobicContact CD-CZ 4.41Å; K367-F369 HydrophobicContact CG-CE2 4.32Å; F369-I371 HydrophobicContact CB-CD1 3.97Å
370	I	97	Very high	97.6	Very high	8 Å²	8	17.1 Å²	17.1	4%	0.041	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.2	158.7	-67.2	167.4	0	0	0	107.5	C271 V273 V290 R291 I320 P372	C271-I370 HydrophobicContact CB-CG1 4.11Å; C271-I370 CarbonylContact O-C 3.54Å; C271-I370 WeakPolarHBondContact O-CA 3.37Å; V273-I370 HydrophobicContact CG2-CG2 3.52Å; V290-I370 WeakPolarHBondContact O-CD1 3.43Å; R291-I370 HydrophobicContact CB-CD1 4.33Å; I320-I370 HydrophobicContact CB-CB 4.44Å; I320-I370 PolarHBondContact N-O 2.88Å; I320-I370 PolarHBondContact O-N 2.75Å; I370-P372 WeakPolarHBondContact O-CD 3.32Å
371	I	96.6	Very high	97.3	Very high	8 Å²	8	19 Å²	19	4%	0.041	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	104.7	-177.8	-53	-57.8	0	0	0	109.2	P257 L258 A261 V270 C271 P319 F369 C373 S374	P257-I371 HydrophobicContact CB-CG2 3.58Å; L258-I371 HydrophobicContact CD2-CB 3.89Å; L258-I371 HydrophobicContact CD2-CG1 3.79Å; A261-I371 HydrophobicContact CB-CD1 4.32Å; V270-I371 HydrophobicContact CB-CD1 4.42Å; V270-I371 HydrophobicContact CB-CG1 3.85Å; V270-I371 HydrophobicContact CG1-CD1 3.93Å; V270-I371 HydrophobicContact CG1-CG1 3.89Å; C271-I371 PolarHBondContact O-N 3.32Å; P319-I371 HydrophobicContact CB-CD1 3.7Å; P319-I371 HydrophobicContact CG-CD1 3.91Å; F369-I371 HydrophobicContact CB-CD1 3.97Å; I371-C373 PolarHBondContact O-N 2.84Å; I371-C373 VanDerWaalsContact O-N 3.12Å; I371-S374 PolarHBondContact O-N 2.94Å; I371-S374 VanDerWaalsContact O-O 3.1Å
372	P	95	Very high	96.5	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	-26.4	-171.2	-27.2	37.1	0	0	0	115.7	A316 A318 I320 I370 S374 R375	A316-P372 WeakPolarHBondContact O-CB 3.36Å; A318-P372 WeakPolarHBondContact O-CD 3.29Å; A318-P372 VanDerWaalsContact O-CG 3.26Å; A318-P372 WeakPolarHBondContact O-CG 3.45Å; I320-P372 HydrophobicContact CD1-CG 3.69Å; I320-P372 HydrophobicContact CG1-CG 4.17Å; I370-P372 WeakPolarHBondContact O-CD 3.32Å; P372-S374 VanDerWaalsContact C-N 3.33Å; P372-R375 PolarHBondContact O-NE 3.09Å
373	C	96.3	Very high	95.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.007	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-10.5	177.9	-62.8	0	0	0	0	113.7	R137 C141 P257 I371	R137-C373 WeakPolarHBondContact CD-O 3.38Å; C141-C373 VanDerWaalsContact CA-SG 3.6Å; C141-C373 HydrophobicContact CB-CB 3.63Å; C141-C373 WeakPolarHBondContact CB-SG 3.49Å; C141-C373 WeakPolarHBondContact SG-CA 3.27Å; C141-C373 WeakPolarHBondContact SG-CB 3.39Å; C141-C373 CovalentContact SG-SG 2.04Å; C141-C373 PolarHBondContact SG-SG 3.2Å; P257-C373 HydrophobicContact CB-CB 4.33Å; P257-C373 HydrophobicContact CG-CB 4.19Å; I371-C373 PolarHBondContact O-N 2.84Å; I371-C373 VanDerWaalsContact O-N 3.12Å
374	S	98.2	Very high	95.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.2	169	179.9	0	0	0	0	109.2	W254 L258 P272 V273 I371 P372	W254-S374 WeakPolarHBondContact O-CB 3.5Å; W254-S374 PolarHBondContact O-OG 3.21Å; L258-S374 WeakPolarHBondContact CD1-OG 3.4Å; L258-S374 WeakPolarHBondContact CG-OG 3.36Å; P272-S374 WeakPolarHBondContact CA-O 3.49Å; P272-S374 WeakPolarHBondContact CB-OG 3.21Å; V273-S374 PolarHBondContact N-O 3.15Å; I371-S374 PolarHBondContact O-N 2.94Å; I371-S374 VanDerWaalsContact O-O 3.1Å; P372-S374 VanDerWaalsContact C-N 3.33Å
375	R	98.1	Very high	94.7	Very high	10 Å²	10	35 Å²	35	4%	0.038	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.3	-176.4	-65.2	-80.3	167.9	154.6	6.6	109.3	R137 N251 V273 D275 S286 S287 P372	R137-R375 HydrophobicContact CG-CB 4.32Å; R137-R375 HydrophobicContact CG-CG 3.59Å; N251-R375 HydrophobicContact CB-CB 3.73Å; N251-R375 VanDerWaalsContact CB-O 3.22Å; N251-R375 WeakPolarHBondContact CB-O 3.37Å; N251-R375 PolarHBondContact N-O 3.46Å; V273-R375 WeakPolarHBondContact O-CA 3.29Å; D275-R375 IonicContact OD1-NH1 3.94Å; D275-R375 PolarHBondContact OD1-NH1 3.37Å; D275-R375 WeakPolarHBondContact OD2-CD 3.41Å; S286-R375 PolarHBondContact OG-NH1 2.72Å; S287-R375 PolarHBondContact O-NH1 3.14Å; S287-R375 VanDerWaalsContact O-NH1 3.08Å; P372-R375 PolarHBondContact O-NE 3.09Å
376	V	98.8	Very high	94	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	124.5	173.3	-177.2	0	0	0	0	108.1	L244 C248 V250 W254 P272 V273 I274 D275 L329	L244-V376 HydrophobicContact CD2-CG1 4.31Å; C248-V376 HydrophobicContact CB-CG1 3.85Å; V250-V376 HydrophobicContact CB-CG2 4.38Å; V250-V376 HydrophobicContact CG1-CG1 3.99Å; V250-V376 HydrophobicContact CG1-CG2 4.06Å; W254-V376 HydrophobicContact CB-CG2 4.47Å; W254-V376 HydrophobicContact CD2-CG2 4.29Å; W254-V376 HydrophobicContact CE3-CG2 3.58Å; W254-V376 HydrophobicContact CZ3-CG2 4.18Å; P272-V376 HydrophobicContact CB-CB 4.34Å; P272-V376 HydrophobicContact CB-CG2 3.81Å; P272-V376 HydrophobicContact CG-CB 4.22Å; P272-V376 HydrophobicContact CG-CG2 3.86Å; V273-V376 PolarHBondContact O-N 3.4Å; V273-V376 VanDerWaalsContact O-N 3.07Å; I274-V376 CarbonylContact C-O 3.54Å; I274-V376 WeakPolarHBondContact CA-O 3.44Å; D275-V376 PolarHBondContact N-O 3.48Å; L329-V376 HydrophobicContact CD2-CB 3.58Å; L329-V376 HydrophobicContact CD2-CG1 3.34Å; L329-V376 HydrophobicContact CD2-CG2 4.3Å
377	G	98.4	Very high	93.2	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	140.9	175	0	0	0	0	0	109.9	C248 E249 D275 I277 Y284	C248-G377 CarbonylContact C-O 3.56Å; C248-G377 WeakPolarHBondContact CA-O 3.39Å; C248-G377 WeakPolarHBondContact CB-O 3.2Å; E249-G377 PolarHBondContact N-O 3.25Å; E249-G377 PolarHBondContact O-N 2.98Å; D275-G377 WeakPolarHBondContact O-CA 3.25Å; I277-G377 VanDerWaalsContact CD1-C 3.46Å; Y284-G377 VanDerWaalsContact CE2-CA 3.42Å; Y284-G377 PolarHBondContact OH-N 3.38Å; Y284-G377 VanDerWaalsContact OH-N 3.14Å
378	H	98.4	Very high	92.4	Very high	25 Å²	25	35.1 Å²	35.1	12%	0.116	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.4	178.5	172.4	-84.4	0	0	0	110	D245 H247 I274 D275 I277 F380	D245-H378 IonicContact OD2-CD2 2.7Å; D245-H378 IonicContact OD2-NE2 3.36Å; D245-H378 PolarHBondContact OD2-NE2 3.2Å; H247-H378 AromaticContact CD2-CD2 3.88Å; H247-H378 AromaticContact CD2-CE1 3.91Å; H247-H378 AromaticContact CD2-NE2 3.41Å; H247-H378 PolarHBondContact CD2-NE2 2.85Å; H247-H378 AromaticContact NE2-CE1 3.87Å; H247-H378 AromaticContact NE2-NE2 3.28Å; H247-H378 PolarHBondContact NE2-NE2 3.08Å; I274-H378 HydrophobicContact CG2-CB 3.57Å; D275-H378 PolarHBondContact O-N 2.8Å; I277-H378 PolarHBondContact N-O 3.28Å; H378-F380 HydrophobicContact CB-CE2 4.24Å; H378-F380 AromaticContact ND1-CD2 3.98Å; H378-F380 AromaticContact ND1-CE2 3.97Å; H378-F380 AromaticContact ND1-CZ 3.99Å; H378-F380 WeakPolarHBondContact O-CD2 3.28Å; H378-F380 PolarHBondContact O-N 2.81Å; H378-F380 VanDerWaalsContact O-N 3.12Å
379	I	97.3	Very high	91.5	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	105.4	176.1	-58.3	-179.4	0	0	0	109.9	F119 A166 H247 I277 A279 L282 R381	F119-I379 HydrophobicContact CB-CG2 4.04Å; F119-I379 HydrophobicContact CD1-CG2 4.33Å; F119-I379 HydrophobicContact CG-CG2 4.15Å; A166-I379 HydrophobicContact CB-CD1 4.4Å; H247-I379 HydrophobicContact CB-CB 4.14Å; H247-I379 HydrophobicContact CB-CD1 3.95Å; H247-I379 HydrophobicContact CB-CG1 4.16Å; H247-I379 PolarHBondContact O-N 3.01Å; I277-I379 HydrophobicContact CB-CG1 3.98Å; I277-I379 HydrophobicContact CD1-CG1 4.35Å; I277-I379 HydrophobicContact CG2-CG1 3.8Å; I277-I379 WeakPolarHBondContact O-CA 3.15Å; A279-I379 HydrophobicContact CB-CG2 4.44Å; L282-I379 HydrophobicContact CD1-CD1 3.68Å; L282-I379 HydrophobicContact CD1-CG1 4.21Å; I379-R381 HydrophobicContact CG2-CG 4.29Å; I379-R381 PolarHBondContact O-N 3.24Å
380	F	92.2	Very high	90.8	Very high	88 Å²	88	44.6 Å²	44.6	39%	0.386	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	87.9	175.4	-73.7	-84.8	0	0	0	110.9	I274 I276 I277 A279 H378	I274-F380 HydrophobicContact CG2-CE2 4.14Å; I274-F380 HydrophobicContact CG2-CZ 3.87Å; I276-F380 HydrophobicContact CB-CD2 4.15Å; I276-F380 HydrophobicContact CB-CE2 4.29Å; I276-F380 HydrophobicContact CG1-CD2 3.88Å; I276-F380 HydrophobicContact CG1-CE2 3.74Å; I276-F380 HydrophobicContact CG2-CD2 4.03Å; I277-F380 PolarHBondContact O-N 2.76Å; A279-F380 WeakPolarHBondContact CB-O 3.39Å; H378-F380 HydrophobicContact CB-CE2 4.24Å; H378-F380 AromaticContact ND1-CD2 3.98Å; H378-F380 AromaticContact ND1-CE2 3.97Å; H378-F380 AromaticContact ND1-CZ 3.99Å; H378-F380 WeakPolarHBondContact O-CD2 3.28Å; H378-F380 PolarHBondContact O-N 2.81Å; H378-F380 VanDerWaalsContact O-N 3.12Å
381	R	90.7	Very high	90.1	Very high	39 Å²	39	47.4 Å²	47.4	15%	0.147	25%	0.247	C	C	.	.			trans	-59.4	150.1	-179.6	-64.5	175.1	174.2	166	-7.1	112.9	H117 A118 F119 E162 H247 I379 R383 P385	H117-R381 VanDerWaalsContact O-CD 3.3Å; H117-R381 WeakPolarHBondContact O-CD 3.47Å; H117-R381 PolarHBondContact O-NE 3.24Å; A118-R381 HydrophobicContact CB-CB 4.19Å; F119-R381 HydrophobicContact CD1-CG 4.34Å; E162-R381 IonicContact OE1-CZ 3.35Å; E162-R381 IonicContact OE1-NH2 3.62Å; E162-R381 PolarHBondContact OE1-NH2 2.85Å; E162-R381 IonicContact OE2-CZ 3.59Å; E162-R381 IonicContact OE2-NH2 3.15Å; E162-R381 PolarHBondContact OE2-NH2 2.87Å; H247-R381 PolarHBondContact ND1-NH2 3.39Å; I379-R381 HydrophobicContact CG2-CG 4.29Å; I379-R381 PolarHBondContact O-N 3.24Å; R381-R383 VanDerWaalsContact C-N 3.25Å; R381-R383 WeakPolarHBondContact CB-O 3.32Å; R381-R383 PolarHBondContact O-N 2.72Å; R381-P385 VanDerWaalsContact NH1-CG 3.28Å
382	K	82.1	Confident	89.6	Confident	90 Å²	90	51.6 Å²	51.6	39%	0.391	27%	0.266	S	S	.	.	S	Bend	trans	-63.8	-30.2	176.9	-65.7	-69.9	-176.9	-178.1	0	113.4	Y114 A118 D280 E541	Y114-K382 HydrophobicContact CE1-CG 4.47Å; A118-K382 PolarHBondContact O-N 3.03Å; D280-K382 WeakPolarHBondContact OD1-CE 3.44Å; D280-K382 IonicContact OD1-NZ 2.76Å; D280-K382 PolarHBondContact OD1-NZ 3.34Å; D280-K382 WeakPolarHBondContact OD2-CE 2.94Å; D280-K382 IonicContact OD2-NZ 4Å; D280-K382 PolarHBondContact OD2-NZ 2.83Å; K382-E541 WeakPolarHBondContact CD-OE2 3.35Å; K382-E541 VanDerWaalsContact CE-OE2 3.28Å; K382-E541 WeakPolarHBondContact CE-OE2 3.41Å; K382-E541 IonicContact NZ-OE1 3.68Å; K382-E541 PolarHBondContact NZ-OE1 3.41Å; K382-E541 IonicContact NZ-OE2 3.3Å; K382-E541 PolarHBondContact NZ-OE2 3.08Å
383	R	87.7	Confident	89.3	Confident	120 Å²	120	55.3 Å²	55.3	45%	0.453	29%	0.286	S	S	.	.	S	Bend	trans	-154.6	170.2	176.8	62.5	173.2	175.9	85.1	6.6	109.5	Y114 Q115 A118 R381	Y114-R383 PolarHBondContact O-NH2 2.64Å; Q115-R383 PolarHBondContact O-NH2 3.17Å; A118-R383 HydrophobicContact CB-CG 3.64Å; A118-R383 WeakPolarHBondContact CB-O 3.47Å; R381-R383 VanDerWaalsContact C-N 3.25Å; R381-R383 WeakPolarHBondContact CB-O 3.32Å; R381-R383 PolarHBondContact O-N 2.72Å
384	R	85.5	Confident	89.1	Confident	137 Å²	137	56.1 Å²	56.1	52%	0.517	29%	0.291	S	S	.	.			trans	-74.7	127.8	169	-61.4	179.6	-170	-177.9	0.3	109.3	W350 Y386	W350-R384 VanDerWaalsContact CH2-CZ 3.46Å; W350-R384 VanDerWaalsContact CZ3-CZ 3.48Å; W350-R384 VanDerWaalsContact CZ3-NH2 3.26Å; R384-Y386 VanDerWaalsContact C-N 3.26Å; R384-Y386 PolarHBondContact O-N 3.47Å
385	P	86.2	Confident	88.8	Confident	34 Å²	34	57.5 Å²	57.5	22%	0.221	30%	0.298	C	S	.	.	S	Bend	trans	-77.8	-13.7	179.7	27.1	-29	0	0	0	113.1	K116 R381	K116-P385 WeakPolarHBondContact O-CB 3.38Å; R381-P385 VanDerWaalsContact NH1-CG 3.28Å
386	Y	82.7	Confident	88.7	Confident	70 Å²	70	57.4 Å²	57.4	28%	0.275	30%	0.299	S	S	.	.			trans	-121.8	153.8	-177.4	50	-104.8	0	0	0	112.1	Y160 R384	Y160-Y386 HydrophobicContact CD1-CD1 4.21Å; Y160-Y386 HydrophobicContact CD1-CG 4.19Å; R384-Y386 VanDerWaalsContact C-N 3.26Å; R384-Y386 PolarHBondContact O-N 3.47Å
387	G	81.7	Confident	88.5	Confident	50 Å²	50	59.2 Å²	59.2	52%	0.515	31%	0.307	S	S	.	.			trans	-119.3	177.8	167.8	0	0	0	0	0	110.9	R222	R222-G387 VanDerWaalsContact CZ-O 3.26Å; R222-G387 PolarHBondContact NH1-O 3.09Å; R222-G387 PolarHBondContact NH2-O 2.9Å
388	S	81.3	Confident	88.5	Confident	22 Å²	22	59.2 Å²	59.2	15%	0.154	31%	0.307	C	S	.	.			trans	-64.3	144.9	168.2	54.4	0	0	0	0	110.8	E390 G391 Q392	S388-E390 PolarHBondContact O-N 3.47Å; S388-E390 VanDerWaalsContact O-N 3.12Å; S388-G391 PolarHBondContact O-N 3.09Å; S388-G391 VanDerWaalsContact O-N 3.07Å; S388-G391 WeakPolarHBondContact OG-CA 3.37Å; S388-G391 PolarHBondContact OG-N 3.01Å; S388-G391 VanDerWaalsContact OG-N 3.13Å; S388-Q392 WeakPolarHBondContact CB-O 3.46Å; S388-Q392 PolarHBondContact OG-N 3.24Å; S388-Q392 PolarHBondContact OG-O 3.03Å
389	P	80.4	Confident	88.4	Confident	76 Å²	76	58.1 Å²	58.1	49%	0.494	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-41.8	-177.4	-27.7	34.1	0	0	0	114.3	R222 I349	R222-P389 HydrophobicContact CG-CG 4.41Å; I349-P389 HydrophobicContact CD1-CG 4.31Å
390	E	82.4	Confident	88.4	Confident	156 Å²	156	58 Å²	58	73%	0.729	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	11.3	-176.9	-62.6	-176.3	-177.8	0	0	114.1	S388 Q392	S388-E390 PolarHBondContact O-N 3.47Å; S388-E390 VanDerWaalsContact O-N 3.12Å; E390-Q392 VanDerWaalsContact C-N 3.26Å; E390-Q392 HydrophobicContact CB-CG 4.02Å; E390-Q392 PolarHBondContact O-N 3.49Å; E390-Q392 PolarHBondContact OE2-NE2 3.11Å
391	G	82.1	Confident	88.7	Confident	67 Å²	67	54.4 Å²	54.4	69%	0.691	29%	0.285	S	S	*	.			trans	70.9	16.3	-176.6	0	0	0	0	0	115.3	S388	S388-G391 PolarHBondContact O-N 3.09Å; S388-G391 VanDerWaalsContact O-N 3.07Å; S388-G391 WeakPolarHBondContact OG-CA 3.37Å; S388-G391 PolarHBondContact OG-N 3.01Å; S388-G391 VanDerWaalsContact OG-N 3.13Å
392	Q	85.5	Confident	89.1	Confident	95 Å²	95	52.6 Å²	52.6	44%	0.444	28%	0.279	S	S	.	.			trans	-66.5	145.5	176.8	-61.8	162.8	-1	0	0	112.2	S388 E390 T394	S388-Q392 WeakPolarHBondContact CB-O 3.46Å; S388-Q392 PolarHBondContact OG-N 3.24Å; S388-Q392 PolarHBondContact OG-O 3.03Å; E390-Q392 VanDerWaalsContact C-N 3.26Å; E390-Q392 HydrophobicContact CB-CG 4.02Å; E390-Q392 PolarHBondContact O-N 3.49Å; E390-Q392 PolarHBondContact OE2-NE2 3.11Å; Q392-T394 VanDerWaalsContact C-N 3.34Å; Q392-T394 PolarHBondContact O-N 2.97Å
393	D	89.5	Confident	89.8	Confident	79 Å²	79	48.3 Å²	48.3	42%	0.422	26%	0.26	S	S	.	.			trans	-81	79.8	174.4	-179.1	5.4	0	0	0	111.1	M395 T396 H397 K424	D393-M395 VanDerWaalsContact C-N 3.34Å; D393-M395 PolarHBondContact O-N 3.25Å; D393-T396 VanDerWaalsContact CG-CB 3.48Å; D393-T396 PolarHBondContact O-N 2.73Å; D393-T396 PolarHBondContact OD1-N 2.9Å; D393-T396 PolarHBondContact OD1-OG1 3.16Å; D393-T396 WeakPolarHBondContact OD2-CB 3.39Å; D393-T396 PolarHBondContact OD2-OG1 2.59Å; D393-H397 PolarHBondContact O-N 2.82Å; D393-K424 IonicContact OD2-NZ 2.73Å
394	T	92.9	Very high	90.3	Very high	19 Å²	19	44.8 Å²	44.8	12%	0.117	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-36.4	-176.8	63.1	0	0	0	0	112.5	D348 I349 W350 Q392 T396 H397 N398	D348-T394 HydrophobicContact CB-CG2 3.97Å; D348-T394 WeakPolarHBondContact O-CB 3.18Å; I349-T394 HydrophobicContact CB-CG2 4.12Å; I349-T394 HydrophobicContact CG1-CG2 4.18Å; W350-T394 PolarHBondContact O-OG1 3Å; Q392-T394 VanDerWaalsContact C-N 3.34Å; Q392-T394 PolarHBondContact O-N 2.97Å; T394-T396 VanDerWaalsContact C-N 3.33Å; T394-T396 PolarHBondContact O-N 2.99Å; T394-H397 PolarHBondContact O-N 2.93Å; T394-N398 WeakPolarHBondContact O-CB 3.3Å; T394-N398 PolarHBondContact O-N 2.96Å; T394-N398 PolarHBondContact O-ND2 3.31Å; T394-N398 PolarHBondContact O-OD1 3.49Å
395	M	92	Very high	90.9	Very high	28 Å²	28	38.5 Å²	38.5	14%	0.138	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-45.2	179.6	-178	66.2	-169.4	0	0	111	L298 W350 G351 D393 S399	L298-M395 WeakPolarHBondContact O-CE 3.44Å; W350-M395 HydrophobicContact CE3-SD 4.43Å; W350-M395 HydrophobicContact CH2-SD 4.35Å; W350-M395 HydrophobicContact CZ3-SD 3.67Å; G351-M395 WeakPolarHBondContact CA-SD 2.86Å; D393-M395 VanDerWaalsContact C-N 3.34Å; D393-M395 PolarHBondContact O-N 3.25Å; M395-S399 WeakPolarHBondContact O-CB 2.77Å; M395-S399 PolarHBondContact O-N 3.43Å; M395-S399 PolarHBondContact O-OG 2.78Å
396	T	94.4	Very high	91.5	Very high	9 Å²	9	36.9 Å²	36.9	6%	0.055	22%	0.215	C	C	.	.	H	α-helix	trans	-67	-44.6	178.6	-66.3	0	0	0	0	112	D393 T394 N398 S399 L400 L421 K424	D393-T396 VanDerWaalsContact CG-CB 3.48Å; D393-T396 PolarHBondContact O-N 2.73Å; D393-T396 PolarHBondContact OD1-N 2.9Å; D393-T396 PolarHBondContact OD1-OG1 3.16Å; D393-T396 WeakPolarHBondContact OD2-CB 3.39Å; D393-T396 PolarHBondContact OD2-OG1 2.59Å; T394-T396 VanDerWaalsContact C-N 3.33Å; T394-T396 PolarHBondContact O-N 2.99Å; T396-N398 PolarHBondContact O-N 3.44Å; T396-S399 PolarHBondContact O-N 2.96Å; T396-L400 HydrophobicContact CG2-CD1 4.06Å; T396-L400 WeakPolarHBondContact O-CG 3.33Å; T396-L400 PolarHBondContact O-N 3.26Å; T396-L421 HydrophobicContact CG2-CD1 4.07Å; T396-L421 HydrophobicContact CG2-CD2 3.42Å; T396-L421 VanDerWaalsContact CG2-CD2 3.42Å; T396-L421 HydrophobicContact CG2-CG 4.37Å; T396-K424 HydrophobicContact CG2-CD 3.81Å
397	H	96.1	Very high	92.3	Very high	38 Å²	38	33.5 Å²	33.5	18%	0.176	20%	0.202	C	C	.	.	H	α-helix	trans	-57.1	-50.6	176.9	172.1	71.8	0	0	0	111.2	G346 D348 D393 T394 S399 L400 R401 Y426	G346-H397 PolarHBondContact O-NE2 3.29Å; D348-H397 IonicContact OD2-CD2 3.53Å; D348-H397 PolarHBondContact OD2-CD2 3.45Å; D348-H397 IonicContact OD2-NE2 3.7Å; D348-H397 PolarHBondContact OD2-NE2 3.27Å; D393-H397 PolarHBondContact O-N 2.82Å; T394-H397 PolarHBondContact O-N 2.93Å; H397-S399 PolarHBondContact O-N 3Å; H397-L400 PolarHBondContact O-N 2.79Å; H397-R401 WeakPolarHBondContact O-CG 3.36Å; H397-R401 PolarHBondContact O-N 2.91Å; H397-R401 VanDerWaalsContact O-N 3.13Å; H397-Y426 PolarHBondContact CE1-O 3.12Å
398	N	97.3	Very high	93	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65	-42.1	-179.8	-60.5	-8	0	0	0	111.8	M347 D348 W350 G351 T394 T396 L400 R401 L402	M347-N398 VanDerWaalsContact CA-OD1 3.23Å; M347-N398 WeakPolarHBondContact CA-OD1 3.43Å; M347-N398 HydrophobicContact CB-CB 4.25Å; M347-N398 WeakPolarHBondContact CB-OD1 3.41Å; M347-N398 HydrophobicContact CE-CB 4.24Å; M347-N398 WeakPolarHBondContact CE-O 3.11Å; M347-N398 HydrophobicContact CG-CB 3.96Å; M347-N398 HydrophobicContact SD-CB 4.17Å; D348-N398 PolarHBondContact N-ND2 3.45Å; D348-N398 PolarHBondContact N-OD1 3.42Å; D348-N398 PolarHBondContact O-ND2 3.41Å; W350-N398 PolarHBondContact O-ND2 2.67Å; G351-N398 WeakPolarHBondContact O-CB 3.39Å; G351-N398 PolarHBondContact O-ND2 3.11Å; T394-N398 WeakPolarHBondContact O-CB 3.3Å; T394-N398 PolarHBondContact O-N 2.96Å; T394-N398 PolarHBondContact O-ND2 3.31Å; T394-N398 PolarHBondContact O-OD1 3.49Å; T396-N398 PolarHBondContact O-N 3.44Å; N398-L400 VanDerWaalsContact C-N 3.3Å; N398-L400 PolarHBondContact O-N 2.68Å; N398-R401 WeakPolarHBondContact O-CB 3.43Å; N398-R401 PolarHBondContact O-N 3.42Å; N398-L402 PolarHBondContact O-N 3.45Å
399	S	97.2	Very high	93.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.007	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-36.4	177.7	-61	0	0	0	0	112	M395 T396 H397 L402 A403 Y414	M395-S399 WeakPolarHBondContact O-CB 2.77Å; M395-S399 PolarHBondContact O-N 3.43Å; M395-S399 PolarHBondContact O-OG 2.78Å; T396-S399 PolarHBondContact O-N 2.96Å; H397-S399 PolarHBondContact O-N 3Å; S399-L402 VanDerWaalsContact O-CD2 3.25Å; S399-L402 WeakPolarHBondContact O-CD2 3.26Å; S399-A403 WeakPolarHBondContact O-CB 3.38Å; S399-A403 PolarHBondContact O-N 2.94Å; S399-Y414 WeakPolarHBondContact CB-OH 3.38Å
400	L	97.7	Very high	94.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.3	-44.3	173.7	-76.6	166.2	0	0	0	111.8	T396 H397 N398 L402 A403 H404 Y414 F415 L421 K424 Y426	T396-L400 HydrophobicContact CG2-CD1 4.06Å; T396-L400 WeakPolarHBondContact O-CG 3.33Å; T396-L400 PolarHBondContact O-N 3.26Å; H397-L400 PolarHBondContact O-N 2.79Å; N398-L400 VanDerWaalsContact C-N 3.3Å; N398-L400 PolarHBondContact O-N 2.68Å; L400-L402 VanDerWaalsContact C-N 3.35Å; L400-L402 PolarHBondContact O-N 3.37Å; L400-A403 PolarHBondContact O-N 3.45Å; L400-A403 VanDerWaalsContact O-N 3.16Å; L400-H404 PolarHBondContact O-CD2 3.08Å; L400-H404 PolarHBondContact O-N 2.91Å; L400-Y414 HydrophobicContact CD2-CE1 4.25Å; L400-F415 HydrophobicContact CD2-CE1 3.71Å; L400-F415 HydrophobicContact CD2-CZ 4.23Å; L400-L421 HydrophobicContact CD2-CB 4.15Å; L400-K424 HydrophobicContact CD1-CB 3.88Å; L400-K424 HydrophobicContact CD1-CD 4.23Å; L400-K424 HydrophobicContact CD1-CG 4.14Å; L400-Y426 HydrophobicContact CB-CD1 4.29Å; L400-Y426 HydrophobicContact CB-CG 4.25Å
401	R	98.3	Very high	95.1	Very high	13 Å²	13	30.5 Å²	30.5	5%	0.049	17%	0.165	C	C	.	.	H	α-helix	trans	-56.1	-50.2	175.9	-66.6	-179.6	66.1	79.7	-2	111.4	D344 G346 M347 H397 N398 A403 H404 V405 Y426 N428 I429	D344-R401 IonicContact OD1-CZ 3.46Å; D344-R401 IonicContact OD1-NE 2.8Å; D344-R401 IonicContact OD1-NH2 3.66Å; D344-R401 PolarHBondContact OD1-NH2 2.89Å; D344-R401 IonicContact OD2-CZ 3.2Å; D344-R401 IonicContact OD2-NE 3.04Å; D344-R401 PolarHBondContact OD2-NE 3.31Å; D344-R401 IonicContact OD2-NH2 3.42Å; D344-R401 PolarHBondContact OD2-NH2 2.86Å; D344-R401 VanDerWaalsContact OD2-NH2 3.15Å; G346-R401 VanDerWaalsContact O-CD 3.31Å; G346-R401 WeakPolarHBondContact O-CD 3.48Å; G346-R401 PolarHBondContact O-NE 2.94Å; M347-R401 HydrophobicContact CE-CB 4.5Å; H397-R401 WeakPolarHBondContact O-CG 3.36Å; H397-R401 PolarHBondContact O-N 2.91Å; H397-R401 VanDerWaalsContact O-N 3.13Å; N398-R401 WeakPolarHBondContact O-CB 3.43Å; N398-R401 PolarHBondContact O-N 3.42Å; R401-A403 VanDerWaalsContact C-N 3.35Å; R401-A403 PolarHBondContact O-N 2.86Å; R401-H404 PolarHBondContact O-N 2.96Å; R401-V405 VanDerWaalsContact O-CG2 3.26Å; R401-V405 WeakPolarHBondContact O-CG2 3.42Å; R401-V405 PolarHBondContact O-N 2.76Å; R401-Y426 WeakPolarHBondContact CG-O 3.36Å; R401-Y426 PolarHBondContact NH1-O 2.71Å; R401-N428 PolarHBondContact NH1-O 2.93Å; R401-N428 PolarHBondContact NH2-O 2.92Å; R401-I429 HydrophobicContact CB-CG2 4.26Å; R401-I429 HydrophobicContact CG-CG2 4.16Å
402	L	98	Very high	95.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-44.3	175.8	138	144.1	0	0	0	111.8	L298 M347 L355 E356 F359 N398 S399 L400 H404 V405 W406	L298-L402 HydrophobicContact CB-CD2 4.42Å; L298-L402 HydrophobicContact CD1-CD2 3.49Å; L298-L402 VanDerWaalsContact CD1-CD2 3.49Å; L298-L402 HydrophobicContact CD2-CD2 4.16Å; L298-L402 HydrophobicContact CG-CD2 4.22Å; M347-L402 HydrophobicContact CE-CB 4Å; L355-L402 HydrophobicContact CB-CD1 3.57Å; E356-L402 HydrophobicContact CB-CB 4.11Å; E356-L402 HydrophobicContact CB-CD1 3.86Å; E356-L402 HydrophobicContact CG-CB 3.99Å; E356-L402 HydrophobicContact CG-CD1 4.46Å; E356-L402 VanDerWaalsContact N-CD1 3.31Å; F359-L402 HydrophobicContact CD2-CD1 3.62Å; F359-L402 HydrophobicContact CD2-CG 4.37Å; F359-L402 HydrophobicContact CE2-CD1 3.51Å; F359-L402 HydrophobicContact CE2-CG 4.23Å; N398-L402 PolarHBondContact O-N 3.45Å; S399-L402 VanDerWaalsContact O-CD2 3.25Å; S399-L402 WeakPolarHBondContact O-CD2 3.26Å; L400-L402 VanDerWaalsContact C-N 3.35Å; L400-L402 PolarHBondContact O-N 3.37Å; L402-H404 VanDerWaalsContact C-N 3.34Å; L402-H404 PolarHBondContact O-N 3.29Å; L402-V405 PolarHBondContact O-N 2.98Å; L402-W406 PolarHBondContact O-N 3.35Å
403	A	97.9	Very high	95.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.8	-44	-176.4	0	0	0	0	0	111.7	L298 S399 L400 R401 L407 K411 Y414	L298-A403 HydrophobicContact CD1-CB 4.15Å; S399-A403 WeakPolarHBondContact O-CB 3.38Å; S399-A403 PolarHBondContact O-N 2.94Å; L400-A403 PolarHBondContact O-N 3.45Å; L400-A403 VanDerWaalsContact O-N 3.16Å; R401-A403 VanDerWaalsContact C-N 3.35Å; R401-A403 PolarHBondContact O-N 2.86Å; A403-L407 HydrophobicContact CB-CD1 3.75Å; A403-L407 HydrophobicContact CB-CG 4.43Å; A403-L407 WeakPolarHBondContact O-CB 3.43Å; A403-L407 PolarHBondContact O-N 3.43Å; A403-K411 HydrophobicContact CB-CB 4.38Å; A403-Y414 HydrophobicContact CB-CD1 4.19Å
404	H	97.9	Very high	96.1	Very high	46 Å²	46	25.2 Å²	25.2	21%	0.213	12%	0.119	C	C	.	.	H	α-helix	trans	-72	-27.2	-179.8	-81.1	-90.9	0	0	0	113.6	L400 R401 L402 F415 Y426 I429	L400-H404 PolarHBondContact O-CD2 3.08Å; L400-H404 PolarHBondContact O-N 2.91Å; R401-H404 PolarHBondContact O-N 2.96Å; L402-H404 VanDerWaalsContact C-N 3.34Å; L402-H404 PolarHBondContact O-N 3.29Å; H404-F415 AromaticContact NE2-CZ 3.64Å; H404-Y426 HydrophobicContact CB-CE2 4.41Å; H404-Y426 AromaticContact CD2-CD1 3.71Å; H404-Y426 AromaticContact CD2-CE1 3.5Å; H404-Y426 AromaticContact CD2-CZ 3.87Å; H404-Y426 AromaticContact CE1-CE1 3.48Å; H404-Y426 VanDerWaalsContact CE1-CE1 3.48Å; H404-Y426 WeakPolarHBondContact CE1-CE1 3.35Å; H404-Y426 AromaticContact CE1-CZ 3.72Å; H404-Y426 AromaticContact CG-CE1 3.91Å; H404-Y426 AromaticContact CG-CZ 3.78Å; H404-Y426 AromaticContact ND1-CE1 3.89Å; H404-Y426 AromaticContact ND1-CZ 3.68Å; H404-Y426 PolarHBondContact ND1-OH 3.39Å; H404-Y426 AromaticContact NE2-CD1 3.73Å; H404-Y426 AromaticContact NE2-CE1 3.25Å; H404-Y426 WeakPolarHBondContact NE2-CE1 3.47Å; H404-Y426 AromaticContact NE2-CZ 3.86Å; H404-I429 HydrophobicContact CB-CD1 3.59Å
405	V	98.4	Very high	96.2	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.024	12%	0.115	C	C	.	.	H	α-helix	trans	-88.1	-39.3	-179.8	178.5	0	0	0	0	112.3	R401 L402 I429 R432 V433 R436	R401-V405 VanDerWaalsContact O-CG2 3.26Å; R401-V405 WeakPolarHBondContact O-CG2 3.42Å; R401-V405 PolarHBondContact O-N 2.76Å; L402-V405 PolarHBondContact O-N 2.98Å; V405-I429 HydrophobicContact CG2-CB 3.9Å; V405-I429 HydrophobicContact CG2-CD1 3.89Å; V405-I429 HydrophobicContact CG2-CG1 4.42Å; V405-I429 HydrophobicContact CG2-CG2 4.25Å; V405-R432 HydrophobicContact CG1-CB 4.01Å; V405-R432 HydrophobicContact CG2-CB 3.84Å; V405-V433 HydrophobicContact CG2-CG2 4.27Å; V405-R436 WeakPolarHBondContact O-CD 3.26Å; V405-R436 PolarHBondContact O-NH1 3.32Å
406	W	98.5	Very high	96.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-117.3	-22.6	-163.2	-63.8	107.2	0	0	0	115.8	E356 F359 R360 M363 L402 R436 C441 F444	E356-W406 PolarHBondContact OE1-NE1 3.49Å; F359-W406 HydrophobicContact CB-CB 4.32Å; F359-W406 HydrophobicContact CB-CG 4.38Å; F359-W406 HydrophobicContact CD2-CB 4.13Å; R360-W406 HydrophobicContact CB-CH2 3.77Å; R360-W406 HydrophobicContact CB-CZ2 3.68Å; R360-W406 HydrophobicContact CB-CZ3 4.38Å; R360-W406 HydrophobicContact CG-CH2 3.79Å; R360-W406 HydrophobicContact CG-CZ2 3.95Å; M363-W406 HydrophobicContact CB-CZ3 4.45Å; M363-W406 HydrophobicContact CE-CE3 3.99Å; M363-W406 HydrophobicContact SD-CE3 3.94Å; L402-W406 PolarHBondContact O-N 3.35Å; W406-R436 HydrophobicContact CE3-CG 4.28Å; W406-R436 HydrophobicContact CH2-CB 4.01Å; W406-R436 HydrophobicContact CH2-CG 3.98Å; W406-R436 HydrophobicContact CZ3-CB 4.21Å; W406-R436 HydrophobicContact CZ3-CG 3.66Å; W406-C441 HydrophobicContact CZ3-CB 4.21Å; W406-F444 WeakPolarHBondContact O-CB 3.1Å; W406-F444 VanDerWaalsContact O-CD2 3.25Å; W406-F444 WeakPolarHBondContact O-CD2 3.43Å
407	L	97.9	Very high	95.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.			trans	-89.6	-1.4	-171.2	-59.9	-178.5	0	0	0	114.8	L298 F359 A403 E409 Y410 K411 F444	L298-L407 HydrophobicContact CD1-CD1 4.18Å; L298-L407 HydrophobicContact CD2-CD1 3.81Å; F359-L407 HydrophobicContact CD2-CD2 4.31Å; F359-L407 HydrophobicContact CE2-CD2 3.75Å; F359-L407 HydrophobicContact CZ-CD2 4.37Å; A403-L407 HydrophobicContact CB-CD1 3.75Å; A403-L407 HydrophobicContact CB-CG 4.43Å; A403-L407 WeakPolarHBondContact O-CB 3.43Å; A403-L407 PolarHBondContact O-N 3.43Å; L407-E409 PolarHBondContact O-N 2.64Å; L407-Y410 WeakPolarHBondContact O-CA 3.31Å; L407-Y410 VanDerWaalsContact O-CB 3.27Å; L407-Y410 WeakPolarHBondContact O-CB 3.37Å; L407-Y410 PolarHBondContact O-N 2.86Å; L407-K411 HydrophobicContact CB-CB 4.03Å; L407-K411 HydrophobicContact CD1-CB 4.47Å; L407-F444 HydrophobicContact CD2-CD1 4.09Å; L407-F444 HydrophobicContact CD2-CD2 3.81Å; L407-F444 HydrophobicContact CD2-CE1 3.64Å; L407-F444 HydrophobicContact CD2-CE2 3.35Å; L407-F444 HydrophobicContact CD2-CG 4.16Å; L407-F444 HydrophobicContact CD2-CZ 3.25Å
408	D	97.9	Very high	95.4	Very high	43 Å²	43	34.4 Å²	34.4	23%	0.23	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	48.4	-128	-178.3	-58.8	-32	0	0	0	112.1	Y410 K411 R436 S443 F444	D408-Y410 VanDerWaalsContact C-N 3.3Å; D408-K411 WeakPolarHBondContact O-CD 3.48Å; D408-K411 WeakPolarHBondContact O-CG 3.12Å; D408-R436 VanDerWaalsContact CG-NH2 3.32Å; D408-R436 IonicContact OD1-CZ 3.98Å; D408-R436 IonicContact OD1-NH1 2.94Å; D408-R436 PolarHBondContact OD1-NH1 2.99Å; D408-R436 IonicContact OD1-NH2 3.27Å; D408-R436 PolarHBondContact OD1-NH2 3.27Å; D408-R436 IonicContact OD2-CZ 3.53Å; D408-R436 IonicContact OD2-NH2 3.17Å; D408-R436 PolarHBondContact OD2-NH2 3.08Å; D408-S443 WeakPolarHBondContact OD2-CA 3.38Å; D408-F444 HydrophobicContact CB-CB 4.33Å; D408-F444 PolarHBondContact OD2-N 3.43Å
409	E	96.1	Very high	95.1	Very high	114 Å²	114	38.5 Å²	38.5	53%	0.533	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-70.2	-21	174	66.3	-86.3	-162.3	0	0	113.8	L407 K411 E412	L407-E409 PolarHBondContact O-N 2.64Å; E409-K411 PolarHBondContact O-N 3.31Å; E409-E412 PolarHBondContact O-N 2.81Å
410	Y	96.2	Very high	94.9	Very high	26 Å²	26	42.6 Å²	42.6	10%	0.102	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-73.3	-10.5	-176.9	-61.2	-94.8	0	0	0	113.4	W296 L407 D408 E412 Q413 F444 K445 L448 I457	W296-Y410 HydrophobicContact CH2-CD1 4.09Å; W296-Y410 HydrophobicContact CH2-CG 4.44Å; L407-Y410 WeakPolarHBondContact O-CA 3.31Å; L407-Y410 VanDerWaalsContact O-CB 3.27Å; L407-Y410 WeakPolarHBondContact O-CB 3.37Å; L407-Y410 PolarHBondContact O-N 2.86Å; D408-Y410 VanDerWaalsContact C-N 3.3Å; Y410-E412 PolarHBondContact O-N 3.02Å; Y410-E412 VanDerWaalsContact O-N 3.14Å; Y410-Q413 VanDerWaalsContact O-CB 3.28Å; Y410-Q413 WeakPolarHBondContact O-CB 3.12Å; Y410-Q413 PolarHBondContact O-N 3.24Å; Y410-F444 HydrophobicContact CD2-CB 4.19Å; Y410-F444 AromaticContact CD2-CD1 3.79Å; Y410-F444 HydrophobicContact CD2-CD1 3.79Å; Y410-F444 HydrophobicContact CD2-CG 4.48Å; Y410-F444 AromaticContact CG-CD1 3.85Å; Y410-F444 HydrophobicContact CG-CD1 3.85Å; Y410-F444 HydrophobicContact CG-CE1 4.49Å; Y410-K445 HydrophobicContact CE2-CB 3.88Å; Y410-L448 HydrophobicContact CD1-CD1 3.58Å; Y410-L448 HydrophobicContact CD2-CD1 4.47Å; Y410-L448 HydrophobicContact CE1-CD1 3.5Å; Y410-L448 VanDerWaalsContact CE1-CD1 3.5Å; Y410-L448 HydrophobicContact CE2-CD1 4.42Å; Y410-L448 HydrophobicContact CG-CD1 4.09Å; Y410-I457 HydrophobicContact CE1-CD1 4.07Å
411	K	95.6	Very high	94.7	Very high	58 Å²	58	42.7 Å²	42.7	25%	0.252	22%	0.215	S	C	.	.	H	α-helix	trans	-57.9	-23.5	169.8	68.8	-170.6	175.3	-176.1	0	112.8	A403 L407 D408 E409 Q413 Y414 F415	A403-K411 HydrophobicContact CB-CB 4.38Å; L407-K411 HydrophobicContact CB-CB 4.03Å; L407-K411 HydrophobicContact CD1-CB 4.47Å; D408-K411 WeakPolarHBondContact O-CD 3.48Å; D408-K411 WeakPolarHBondContact O-CG 3.12Å; E409-K411 PolarHBondContact O-N 3.31Å; K411-Q413 PolarHBondContact O-N 2.9Å; K411-Y414 WeakPolarHBondContact O-CB 3.42Å; K411-Y414 PolarHBondContact O-N 2.79Å; K411-Y414 VanDerWaalsContact O-N 3.07Å; K411-F415 HydrophobicContact CB-CE2 4.09Å; K411-F415 HydrophobicContact CD-CE2 4.04Å; K411-F415 HydrophobicContact CG-CD2 4.27Å; K411-F415 HydrophobicContact CG-CE2 3.81Å; K411-F415 VanDerWaalsContact O-CD2 3.29Å; K411-F415 WeakPolarHBondContact O-CD2 3.48Å; K411-F415 PolarHBondContact O-N 3.47Å
412	E	94	Very high	94.4	Very high	92 Å²	92	47.5 Å²	47.5	43%	0.43	24%	0.237	S	C	.	.	H	α-helix	trans	-62.4	-27.2	173.2	-66.3	-56.7	136.4	0	0	112.7	E409 Y410 F415 S416 K422	E409-E412 PolarHBondContact O-N 2.81Å; Y410-E412 PolarHBondContact O-N 3.02Å; Y410-E412 VanDerWaalsContact O-N 3.14Å; E412-F415 PolarHBondContact O-N 2.96Å; E412-S416 WeakPolarHBondContact O-CB 3.16Å; E412-S416 PolarHBondContact O-N 3.3Å; E412-K422 IonicContact OE1-NZ 3.55Å; E412-K422 WeakPolarHBondContact OE2-CE 3.36Å; E412-K422 IonicContact OE2-NZ 2.66Å; E412-K422 PolarHBondContact OE2-NZ 2.91Å
413	Q	91.1	Very high	94.2	Very high	30 Å²	30	54 Å²	54	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-43.7	171.7	-62.8	-72.1	-25.9	0	0	110.8	W296 Y410 K411 S416 I457 S458	W296-Q413 HydrophobicContact CB-CB 4.37Å; W296-Q413 HydrophobicContact CD2-CB 3.5Å; W296-Q413 VanDerWaalsContact CD2-CB 3.5Å; W296-Q413 HydrophobicContact CD2-CG 4Å; W296-Q413 HydrophobicContact CE3-CB 3.38Å; W296-Q413 HydrophobicContact CE3-CG 3.99Å; W296-Q413 HydrophobicContact CG-CB 3.95Å; W296-Q413 HydrophobicContact CH2-CB 4.41Å; W296-Q413 HydrophobicContact CH2-CG 4.12Å; W296-Q413 HydrophobicContact CZ2-CG 4.15Å; W296-Q413 HydrophobicContact CZ3-CB 3.86Å; W296-Q413 HydrophobicContact CZ3-CG 4.03Å; Y410-Q413 VanDerWaalsContact O-CB 3.28Å; Y410-Q413 WeakPolarHBondContact O-CB 3.12Å; Y410-Q413 PolarHBondContact O-N 3.24Å; K411-Q413 PolarHBondContact O-N 2.9Å; Q413-S416 PolarHBondContact O-N 2.8Å; Q413-S416 PolarHBondContact O-OG 2.96Å; Q413-I457 VanDerWaalsContact NE2-CG2 3.33Å; Q413-S458 PolarHBondContact NE2-O 3.3Å
414	Y	93	Very high	94	Very high	7 Å²	7	57.9 Å²	57.9	3%	0.027	29%	0.293	C	S	.	.	H	α-helix	trans	-63.7	-46	176.3	178	-133	0	0	0	111.2	W296 L298 S399 L400 A403 K411 S416 L417 R418 L421	W296-Y414 WeakPolarHBondContact O-CA 3.42Å; W296-Y414 WeakPolarHBondContact O-CD2 3.48Å; L298-Y414 HydrophobicContact CB-CE2 4.43Å; L298-Y414 HydrophobicContact CD1-CD1 3.6Å; L298-Y414 HydrophobicContact CD1-CD2 3.84Å; L298-Y414 HydrophobicContact CD1-CE1 3.7Å; L298-Y414 HydrophobicContact CD1-CE2 3.9Å; L298-Y414 HydrophobicContact CD1-CG 3.66Å; L298-Y414 HydrophobicContact CG-CD1 4.49Å; L298-Y414 HydrophobicContact CG-CD2 3.87Å; L298-Y414 HydrophobicContact CG-CE2 4.06Å; L298-Y414 HydrophobicContact CG-CG 4.06Å; S399-Y414 WeakPolarHBondContact CB-OH 3.38Å; L400-Y414 HydrophobicContact CD2-CE1 4.25Å; A403-Y414 HydrophobicContact CB-CD1 4.19Å; K411-Y414 WeakPolarHBondContact O-CB 3.42Å; K411-Y414 PolarHBondContact O-N 2.79Å; K411-Y414 VanDerWaalsContact O-N 3.07Å; Y414-S416 VanDerWaalsContact C-N 3.29Å; Y414-S416 PolarHBondContact O-N 3.02Å; Y414-L417 PolarHBondContact O-N 3.38Å; Y414-R418 PolarHBondContact O-N 3.13Å; Y414-R418 VanDerWaalsContact O-N 3.15Å; Y414-L421 HydrophobicContact CE1-CD1 3.86Å; Y414-L421 HydrophobicContact CE2-CD1 4.21Å; Y414-L421 VanDerWaalsContact OH-CD1 3.29Å; Y414-L421 WeakPolarHBondContact OH-CD1 3.31Å
415	F	93.8	Very high	93.8	Very high	8 Å²	8	60.2 Å²	60.2	4%	0.035	32%	0.315	C	S	.	.	H	α-helix	trans	-68.7	-24.5	178	-60.6	-44.2	0	0	0	114	L400 H404 K411 E412 L417 R418 P419 L421 K422	L400-F415 HydrophobicContact CD2-CE1 3.71Å; L400-F415 HydrophobicContact CD2-CZ 4.23Å; H404-F415 AromaticContact NE2-CZ 3.64Å; K411-F415 HydrophobicContact CB-CE2 4.09Å; K411-F415 HydrophobicContact CD-CE2 4.04Å; K411-F415 HydrophobicContact CG-CD2 4.27Å; K411-F415 HydrophobicContact CG-CE2 3.81Å; K411-F415 VanDerWaalsContact O-CD2 3.29Å; K411-F415 WeakPolarHBondContact O-CD2 3.48Å; K411-F415 PolarHBondContact O-N 3.47Å; E412-F415 PolarHBondContact O-N 2.96Å; F415-L417 VanDerWaalsContact C-N 3.27Å; F415-L417 PolarHBondContact O-N 2.93Å; F415-R418 CarbonylContact O-C 3.51Å; F415-R418 PolarHBondContact O-N 3.07Å; F415-P419 WeakPolarHBondContact O-CA 3.1Å; F415-P419 WeakPolarHBondContact O-CD 3.26Å; F415-P419 WeakPolarHBondContact O-CG 3.34Å; F415-L421 HydrophobicContact CD1-CB 4.29Å; F415-L421 HydrophobicContact CE1-CB 4.33Å; F415-K422 HydrophobicContact CB-CD 4.27Å; F415-K422 HydrophobicContact CB-CG 3.86Å; F415-K422 HydrophobicContact CD1-CG 3.9Å; F415-K422 HydrophobicContact CD2-CG 4.08Å; F415-K422 HydrophobicContact CE1-CG 4.46Å; F415-K422 HydrophobicContact CG-CD 4.45Å; F415-K422 HydrophobicContact CG-CG 3.7Å
416	S	91.2	Very high	93.7	Very high	76 Å²	76	63.1 Å²	63.1	53%	0.531	33%	0.326	S	S	.	.	H	α-helix	trans	-65.6	-32.5	173.9	77.2	0	0	0	0	112.3	E412 Q413 Y414	E412-S416 WeakPolarHBondContact O-CB 3.16Å; E412-S416 PolarHBondContact O-N 3.3Å; Q413-S416 PolarHBondContact O-N 2.8Å; Q413-S416 PolarHBondContact O-OG 2.96Å; Y414-S416 VanDerWaalsContact C-N 3.29Å; Y414-S416 PolarHBondContact O-N 3.02Å
417	L	88.4	Confident	93.5	Very high	102 Å²	102	65.1 Å²	65.1	53%	0.534	35%	0.346	S	S	.	.	H	α-helix	trans	-81.3	-31	176.2	-62	179.3	0	0	0	112.4	W296 Y414 F415	W296-L417 HydrophobicContact CB-CD1 3.66Å; Y414-L417 PolarHBondContact O-N 3.38Å; F415-L417 VanDerWaalsContact C-N 3.27Å; F415-L417 PolarHBondContact O-N 2.93Å
418	R	86.7	Confident	93.5	Very high	101 Å²	101	70.7 Å²	70.7	38%	0.381	38%	0.377	S	S	.	.			trans	-136.2	74.7	-177.7	-70.2	-64.6	-58.3	-82.4	-3.7	111.6	Y414 F415 D420 L421	Y414-R418 PolarHBondContact O-N 3.13Å; Y414-R418 VanDerWaalsContact O-N 3.15Å; F415-R418 CarbonylContact O-C 3.51Å; F415-R418 PolarHBondContact O-N 3.07Å; R418-D420 IonicContact CZ-OD1 3.89Å; R418-D420 IonicContact CZ-OD2 3.44Å; R418-D420 IonicContact NE-OD1 3.77Å; R418-D420 PolarHBondContact NE-OD1 3.3Å; R418-D420 IonicContact NE-OD2 2.96Å; R418-D420 IonicContact NH2-OD1 3.59Å; R418-D420 IonicContact NH2-OD2 3.02Å; R418-D420 PolarHBondContact NH2-OD2 2.77Å; R418-D420 PolarHBondContact O-N 2.74Å; R418-L421 HydrophobicContact CB-CD1 3.53Å; R418-L421 HydrophobicContact CB-CG 3.79Å; R418-L421 HydrophobicContact CG-CD1 4.18Å; R418-L421 WeakPolarHBondContact O-CB 3.37Å; R418-L421 PolarHBondContact O-N 2.98Å; R418-L421 VanDerWaalsContact O-N 3.14Å
419	P	91.1	Very high	93.5	Very high	87 Å²	87	69.7 Å²	69.7	57%	0.565	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-62.2	-27.3	-176.5	-24.9	35.1	0	0	0	113.8	F415 L421 K422	F415-P419 WeakPolarHBondContact O-CA 3.1Å; F415-P419 WeakPolarHBondContact O-CD 3.26Å; F415-P419 WeakPolarHBondContact O-CG 3.34Å; P419-L421 PolarHBondContact O-N 2.84Å; P419-L421 VanDerWaalsContact O-N 3.12Å; P419-K422 PolarHBondContact O-N 3.07Å
420	D	92.2	Very high	93.6	Very high	87 Å²	87	67.9 Å²	67.9	47%	0.465	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-58.7	-21.7	177	61.7	-63.9	0	0	0	113.3	R418	R418-D420 IonicContact CZ-OD1 3.89Å; R418-D420 IonicContact CZ-OD2 3.44Å; R418-D420 IonicContact NE-OD1 3.77Å; R418-D420 PolarHBondContact NE-OD1 3.3Å; R418-D420 IonicContact NE-OD2 2.96Å; R418-D420 IonicContact NH2-OD1 3.59Å; R418-D420 IonicContact NH2-OD2 3.02Å; R418-D420 PolarHBondContact NH2-OD2 2.77Å; R418-D420 PolarHBondContact O-N 2.74Å
421	L	93.8	Very high	93.7	Very high	1 Å²	1	72.5 Å²	72.5	1%	0.005	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-82.6	-14.1	-176	-58.5	-176.1	0	0	0	113.9	T396 L400 Y414 F415 R418 P419 T423 K424	T396-L421 HydrophobicContact CG2-CD1 4.07Å; T396-L421 HydrophobicContact CG2-CD2 3.42Å; T396-L421 VanDerWaalsContact CG2-CD2 3.42Å; T396-L421 HydrophobicContact CG2-CG 4.37Å; L400-L421 HydrophobicContact CD2-CB 4.15Å; Y414-L421 HydrophobicContact CE1-CD1 3.86Å; Y414-L421 HydrophobicContact CE2-CD1 4.21Å; Y414-L421 VanDerWaalsContact OH-CD1 3.29Å; Y414-L421 WeakPolarHBondContact OH-CD1 3.31Å; F415-L421 HydrophobicContact CD1-CB 4.29Å; F415-L421 HydrophobicContact CE1-CB 4.33Å; R418-L421 HydrophobicContact CB-CD1 3.53Å; R418-L421 HydrophobicContact CB-CG 3.79Å; R418-L421 HydrophobicContact CG-CD1 4.18Å; R418-L421 WeakPolarHBondContact O-CB 3.37Å; R418-L421 PolarHBondContact O-N 2.98Å; R418-L421 VanDerWaalsContact O-N 3.14Å; P419-L421 PolarHBondContact O-N 2.84Å; P419-L421 VanDerWaalsContact O-N 3.12Å; L421-T423 PolarHBondContact O-N 3.32Å; L421-K424 HydrophobicContact CD2-CD 3.81Å; L421-K424 PolarHBondContact O-N 3.5Å; L421-K424 VanDerWaalsContact O-N 3.15Å
422	K	93.2	Very high	93.9	Very high	114 Å²	114	69.9 Å²	69.9	50%	0.496	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-59.9	-29.2	-179.4	-72.9	-166.8	173.5	-158.9	0	113.6	E412 F415 P419	E412-K422 IonicContact OE1-NZ 3.55Å; E412-K422 WeakPolarHBondContact OE2-CE 3.36Å; E412-K422 IonicContact OE2-NZ 2.66Å; E412-K422 PolarHBondContact OE2-NZ 2.91Å; F415-K422 HydrophobicContact CB-CD 4.27Å; F415-K422 HydrophobicContact CB-CG 3.86Å; F415-K422 HydrophobicContact CD1-CG 3.9Å; F415-K422 HydrophobicContact CD2-CG 4.08Å; F415-K422 HydrophobicContact CE1-CG 4.46Å; F415-K422 HydrophobicContact CG-CD 4.45Å; F415-K422 HydrophobicContact CG-CG 3.7Å; P419-K422 PolarHBondContact O-N 3.07Å
423	T	92.5	Very high	94.1	Very high	137 Å²	137	67.9 Å²	67.9	84%	0.84	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-104.3	0.3	-178.3	56.8	0	0	0	0	113.1	L421	L421-T423 PolarHBondContact O-N 3.32Å
424	K	93.9	Very high	94.4	Very high	82 Å²	82	71.5 Å²	71.5	36%	0.357	39%	0.393	S	S	.	.	S	Bend	trans	-80.9	137.3	-176.6	-164.9	171.9	-177.8	178.5	0	110	D393 T396 L400 L421	D393-K424 IonicContact OD2-NZ 2.73Å; T396-K424 HydrophobicContact CG2-CD 3.81Å; L400-K424 HydrophobicContact CD1-CB 3.88Å; L400-K424 HydrophobicContact CD1-CD 4.23Å; L400-K424 HydrophobicContact CD1-CG 4.14Å; L421-K424 HydrophobicContact CD2-CD 3.81Å; L421-K424 PolarHBondContact O-N 3.5Å; L421-K424 VanDerWaalsContact O-N 3.15Å
425	S	94.7	Very high	94.7	Very high	95 Å²	95	72.4 Å²	72.4	66%	0.664	40%	0.398	S	S	*	.			trans	-68.3	143.9	177.6	-175.3	0	0	0	0	111.3	G427	S425-G427 PolarHBondContact OG-N 2.9Å
426	Y	94.9	Very high	94.9	Very high	65 Å²	65	73.8 Å²	73.8	26%	0.255	40%	0.403	S	S	.	.			trans	-129.7	11	175.6	50.9	-99.1	0	0	0	112.4	H397 L400 R401 H404 I429	H397-Y426 PolarHBondContact CE1-O 3.12Å; L400-Y426 HydrophobicContact CB-CD1 4.29Å; L400-Y426 HydrophobicContact CB-CG 4.25Å; R401-Y426 WeakPolarHBondContact CG-O 3.36Å; R401-Y426 PolarHBondContact NH1-O 2.71Å; H404-Y426 HydrophobicContact CB-CE2 4.41Å; H404-Y426 AromaticContact CD2-CD1 3.71Å; H404-Y426 AromaticContact CD2-CE1 3.5Å; H404-Y426 AromaticContact CD2-CZ 3.87Å; H404-Y426 AromaticContact CE1-CE1 3.48Å; H404-Y426 VanDerWaalsContact CE1-CE1 3.48Å; H404-Y426 WeakPolarHBondContact CE1-CE1 3.35Å; H404-Y426 AromaticContact CE1-CZ 3.72Å; H404-Y426 AromaticContact CG-CE1 3.91Å; H404-Y426 AromaticContact CG-CZ 3.78Å; H404-Y426 AromaticContact ND1-CE1 3.89Å; H404-Y426 AromaticContact ND1-CZ 3.68Å; H404-Y426 PolarHBondContact ND1-OH 3.39Å; H404-Y426 AromaticContact NE2-CD1 3.73Å; H404-Y426 AromaticContact NE2-CE1 3.25Å; H404-Y426 WeakPolarHBondContact NE2-CE1 3.47Å; H404-Y426 AromaticContact NE2-CZ 3.86Å; Y426-I429 HydrophobicContact CD2-CD1 4.48Å; Y426-I429 HydrophobicContact CD2-CG2 4.01Å; Y426-I429 HydrophobicContact CE2-CD1 3.92Å; Y426-I429 HydrophobicContact CE2-CG1 4.16Å; Y426-I429 HydrophobicContact CE2-CG2 4.39Å
427	G	96	Very high	95.2	Very high	42 Å²	42	76.6 Å²	76.6	43%	0.433	41%	0.406	S	S	.	.			trans	68.4	-166.8	-178.8	0	0	0	0	0	114.3	S425	S425-G427 PolarHBondContact OG-N 2.9Å
428	N	97.6	Very high	95.7	Very high	118 Å²	118	80 Å²	80	63%	0.631	42%	0.416	S	S	*	.			trans	-80.9	127.5	-179.2	-174.9	-3.2	0	0	0	111	R401 S430	R401-N428 PolarHBondContact NH1-O 2.93Å; R401-N428 PolarHBondContact NH2-O 2.92Å; N428-S430 VanDerWaalsContact OD1-CB 3.31Å; N428-S430 WeakPolarHBondContact OD1-CB 3.43Å; N428-S430 PolarHBondContact OD1-N 2.93Å; N428-S430 PolarHBondContact OD1-OG 2.98Å
429	I	98.2	Very high	96.3	Very high	21 Å²	21	78 Å²	78	11%	0.108	41%	0.413	C	S	.	.			trans	-118.8	6.9	178.1	60.6	168.3	0	0	0	113.1	R401 H404 V405 Y426 E431 R432 V433	R401-I429 HydrophobicContact CB-CG2 4.26Å; R401-I429 HydrophobicContact CG-CG2 4.16Å; H404-I429 HydrophobicContact CB-CD1 3.59Å; V405-I429 HydrophobicContact CG2-CB 3.9Å; V405-I429 HydrophobicContact CG2-CD1 3.89Å; V405-I429 HydrophobicContact CG2-CG1 4.42Å; V405-I429 HydrophobicContact CG2-CG2 4.25Å; Y426-I429 HydrophobicContact CD2-CD1 4.48Å; Y426-I429 HydrophobicContact CD2-CG2 4.01Å; Y426-I429 HydrophobicContact CE2-CD1 3.92Å; Y426-I429 HydrophobicContact CE2-CG1 4.16Å; Y426-I429 HydrophobicContact CE2-CG2 4.39Å; I429-E431 VanDerWaalsContact C-N 3.29Å; I429-E431 PolarHBondContact O-N 3.18Å; I429-R432 PolarHBondContact O-N 2.69Å; I429-V433 HydrophobicContact CD1-CG2 4.11Å; I429-V433 HydrophobicContact CG1-CG2 4.22Å; I429-V433 PolarHBondContact O-N 3.26Å
430	S	98.4	Very high	96.6	Very high	77 Å²	77	77 Å²	77	54%	0.538	42%	0.417	S	S	.	.	H	α-helix	trans	-56.4	-41	-172.9	-63	0	0	0	0	112.9	N428 R432 V433 E434	N428-S430 VanDerWaalsContact OD1-CB 3.31Å; N428-S430 WeakPolarHBondContact OD1-CB 3.43Å; N428-S430 PolarHBondContact OD1-N 2.93Å; N428-S430 PolarHBondContact OD1-OG 2.98Å; S430-R432 VanDerWaalsContact C-N 3.34Å; S430-R432 PolarHBondContact O-N 3.33Å; S430-V433 PolarHBondContact O-N 2.85Å; S430-E434 WeakPolarHBondContact O-CB 3.2Å; S430-E434 PolarHBondContact O-N 3.08Å
431	E	97.8	Very high	96.9	Very high	122 Å²	122	73.8 Å²	73.8	57%	0.57	40%	0.402	S	S	*	.	H	α-helix	trans	-60.2	-42.4	175.9	-172	-150.7	128.8	0	0	111.9	I429 E434 L435	I429-E431 VanDerWaalsContact C-N 3.29Å; I429-E431 PolarHBondContact O-N 3.18Å; E431-E434 PolarHBondContact O-N 2.99Å; E431-L435 WeakPolarHBondContact O-CB 3.49Å; E431-L435 PolarHBondContact O-N 2.89Å
432	R	98.5	Very high	97.1	Very high	4 Å²	4	78.6 Å²	78.6	2%	0.015	42%	0.423	C	S	.	.	H	α-helix	trans	-71.3	-37.7	-178.3	-51.1	-47.7	-63.8	179.3	-7.2	111.6	G341 D344 R360 V405 I429 S430 R436	G341-R432 PolarHBondContact O-NH1 3.11Å; G341-R432 PolarHBondContact O-NH2 3.41Å; D344-R432 HydrophobicContact CB-CG 4.34Å; R360-R432 VanDerWaalsContact CZ-NH2 3.31Å; V405-R432 HydrophobicContact CG1-CB 4.01Å; V405-R432 HydrophobicContact CG2-CB 3.84Å; I429-R432 PolarHBondContact O-N 2.69Å; S430-R432 VanDerWaalsContact C-N 3.34Å; S430-R432 PolarHBondContact O-N 3.33Å; R432-R436 PolarHBondContact O-N 2.91Å
433	V	98.4	Very high	97.4	Very high	50 Å²	50	75.6 Å²	75.6	30%	0.303	42%	0.416	S	S	.	.	H	α-helix	trans	-64	-42.9	173.2	174.3	0	0	0	0	110.8	V405 I429 S430 R436 K437	V405-V433 HydrophobicContact CG2-CG2 4.27Å; I429-V433 HydrophobicContact CD1-CG2 4.11Å; I429-V433 HydrophobicContact CG1-CG2 4.22Å; I429-V433 PolarHBondContact O-N 3.26Å; S430-V433 PolarHBondContact O-N 2.85Å; V433-R436 PolarHBondContact O-N 2.83Å; V433-K437 WeakPolarHBondContact O-CG 3.24Å; V433-K437 PolarHBondContact O-N 3.45Å
434	E	98.4	Very high	97.7	Very high	106 Å²	106	69.1 Å²	69.1	50%	0.495	38%	0.376	S	S	.	.	H	α-helix	trans	-68.9	-39.5	178.6	-167.5	55.2	-146.8	0	0	112	S430 E431 R436 K437 K438	S430-E434 WeakPolarHBondContact O-CB 3.2Å; S430-E434 PolarHBondContact O-N 3.08Å; E431-E434 PolarHBondContact O-N 2.99Å; E434-R436 VanDerWaalsContact C-N 3.33Å; E434-R436 PolarHBondContact O-N 3.47Å; E434-K437 WeakPolarHBondContact O-CB 3.48Å; E434-K437 PolarHBondContact O-N 3.39Å; E434-K437 IonicContact OE2-NZ 2.89Å; E434-K438 WeakPolarHBondContact O-CB 3.17Å; E434-K438 PolarHBondContact O-N 3.37Å
435	L	98.4	Very high	97.8	Very high	25 Å²	25	69.4 Å²	69.4	13%	0.131	38%	0.377	C	S	.	.	H	α-helix	trans	-57.3	-45.7	172.2	179.3	65.4	0	0	0	111.6	E431 K437 K438 L439	E431-L435 WeakPolarHBondContact O-CB 3.49Å; E431-L435 PolarHBondContact O-N 2.89Å; L435-K437 VanDerWaalsContact C-N 3.29Å; L435-K437 PolarHBondContact O-N 3.38Å; L435-K438 PolarHBondContact O-N 3.07Å; L435-L439 HydrophobicContact CD1-CD1 3.84Å; L435-L439 HydrophobicContact CD1-CG 4.06Å; L435-L439 HydrophobicContact CG-CD1 3.99Å; L435-L439 WeakPolarHBondContact O-CB 3.3Å; L435-L439 WeakPolarHBondContact O-CG 3.41Å; L435-L439 PolarHBondContact O-N 3.21Å
436	R	98.5	Very high	98	Very high	37 Å²	37	68 Å²	68	14%	0.14	36%	0.358	C	S	.	.	H	α-helix	trans	-58.4	-40.4	177	-176.8	177.4	177.3	-162.9	-5	112	V405 W406 D408 R432 V433 E434 C441 K442	V405-R436 WeakPolarHBondContact O-CD 3.26Å; V405-R436 PolarHBondContact O-NH1 3.32Å; W406-R436 HydrophobicContact CE3-CG 4.28Å; W406-R436 HydrophobicContact CH2-CB 4.01Å; W406-R436 HydrophobicContact CH2-CG 3.98Å; W406-R436 HydrophobicContact CZ3-CB 4.21Å; W406-R436 HydrophobicContact CZ3-CG 3.66Å; D408-R436 VanDerWaalsContact CG-NH2 3.32Å; D408-R436 IonicContact OD1-CZ 3.98Å; D408-R436 IonicContact OD1-NH1 2.94Å; D408-R436 PolarHBondContact OD1-NH1 2.99Å; D408-R436 IonicContact OD1-NH2 3.27Å; D408-R436 PolarHBondContact OD1-NH2 3.27Å; D408-R436 IonicContact OD2-CZ 3.53Å; D408-R436 IonicContact OD2-NH2 3.17Å; D408-R436 PolarHBondContact OD2-NH2 3.08Å; R432-R436 PolarHBondContact O-N 2.91Å; V433-R436 PolarHBondContact O-N 2.83Å; E434-R436 VanDerWaalsContact C-N 3.33Å; E434-R436 PolarHBondContact O-N 3.47Å; R436-C441 HydrophobicContact CG-CB 3.87Å; R436-C441 PolarHBondContact O-N 3.32Å; R436-C441 PolarHBondContact O-SG 3.03Å; R436-C441 VanDerWaalsContact O-SG 3.32Å; R436-K442 PolarHBondContact NH2-O 2.84Å
437	K	98.3	Very high	98.1	Very high	136 Å²	136	65 Å²	65	59%	0.591	35%	0.346	S	S	*	.	H	α-helix	trans	-68	-48.8	175.5	-67.2	175	-170.9	167.6	0	111.7	V433 E434 L435 L439 G440	V433-K437 WeakPolarHBondContact O-CG 3.24Å; V433-K437 PolarHBondContact O-N 3.45Å; E434-K437 WeakPolarHBondContact O-CB 3.48Å; E434-K437 PolarHBondContact O-N 3.39Å; E434-K437 IonicContact OE2-NZ 2.89Å; L435-K437 VanDerWaalsContact C-N 3.29Å; L435-K437 PolarHBondContact O-N 3.38Å; K437-L439 VanDerWaalsContact C-N 3.26Å; K437-L439 PolarHBondContact O-N 2.79Å; K437-G440 PolarHBondContact O-N 3.5Å
438	K	98.2	Very high	98.1	Very high	174 Å²	174	63.3 Å²	63.3	76%	0.757	33%	0.327	S	S	*	.	H	α-helix	trans	-57.2	-39.2	-178.7	-179.1	-179.1	175.9	-176.7	0	112.3	E434 L435 G440	E434-K438 WeakPolarHBondContact O-CB 3.17Å; E434-K438 PolarHBondContact O-N 3.37Å; L435-K438 PolarHBondContact O-N 3.07Å; K438-G440 VanDerWaalsContact C-N 3.27Å; K438-G440 PolarHBondContact O-N 3.38Å
439	L	98.3	Very high	98	Very high	59 Å²	59	61.3 Å²	61.3	31%	0.309	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.9	178.9	-67.5	177.1	0	0	0	113.7	L340 C364 L435 K437 C441	L340-L439 HydrophobicContact CD2-CD1 4.19Å; C364-L439 HydrophobicContact CB-CB 4.3Å; C364-L439 HydrophobicContact CB-CD1 4.31Å; L435-L439 HydrophobicContact CD1-CD1 3.84Å; L435-L439 HydrophobicContact CD1-CG 4.06Å; L435-L439 HydrophobicContact CG-CD1 3.99Å; L435-L439 WeakPolarHBondContact O-CB 3.3Å; L435-L439 WeakPolarHBondContact O-CG 3.41Å; L435-L439 PolarHBondContact O-N 3.21Å; K437-L439 VanDerWaalsContact C-N 3.26Å; K437-L439 PolarHBondContact O-N 2.79Å; L439-C441 VanDerWaalsContact C-N 3.28Å; L439-C441 WeakPolarHBondContact CB-SG 3.37Å; L439-C441 PolarHBondContact O-N 2.75Å
440	G	98.1	Very high	97.9	Very high	64 Å²	64	65.2 Å²	65.2	66%	0.66	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	34.1	-179.7	0	0	0	0	0	113.3	K437 K438	K437-G440 PolarHBondContact O-N 3.5Å; K438-G440 VanDerWaalsContact C-N 3.27Å; K438-G440 PolarHBondContact O-N 3.38Å
441	C	98.7	Very high	97.8	Very high	21 Å²	21	62.3 Å²	62.3	14%	0.142	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-67.6	145.7	-172.5	-48.1	0	0	0	0	112.1	M363 C364 W406 R436 L439	M363-C441 HydrophobicContact CB-CB 4.36Å; M363-C441 CarbonylContact O-C 3.24Å; M363-C441 VanDerWaalsContact O-CA 3.28Å; M363-C441 WeakPolarHBondContact O-CA 3.47Å; C364-C441 HydrophobicContact CB-CB 4.04Å; C364-C441 WeakPolarHBondContact CB-SG 3.18Å; C364-C441 WeakPolarHBondContact SG-CB 3.44Å; C364-C441 CovalentContact SG-SG 2.03Å; C364-C441 PolarHBondContact SG-SG 2.9Å; W406-C441 HydrophobicContact CZ3-CB 4.21Å; R436-C441 HydrophobicContact CG-CB 3.87Å; R436-C441 PolarHBondContact O-N 3.32Å; R436-C441 PolarHBondContact O-SG 3.03Å; R436-C441 VanDerWaalsContact O-SG 3.32Å; L439-C441 VanDerWaalsContact C-N 3.28Å; L439-C441 WeakPolarHBondContact CB-SG 3.37Å; L439-C441 PolarHBondContact O-N 2.75Å
442	K	98.7	Very high	97.7	Very high	101 Å²	101	56.6 Å²	56.6	44%	0.439	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-70.1	169.9	178.3	-57.8	-178.9	-175.3	-76.8	0	111.8	M363 R436 W446	M363-K442 WeakPolarHBondContact CE-O 3.36Å; M363-K442 PolarHBondContact O-N 2.9Å; R436-K442 PolarHBondContact NH2-O 2.84Å; K442-W446 HydrophobicContact CB-CB 4.08Å; K442-W446 HydrophobicContact CB-CD2 3.85Å; K442-W446 HydrophobicContact CB-CE3 3.76Å; K442-W446 HydrophobicContact CB-CG 3.96Å; K442-W446 HydrophobicContact CD-CD2 3.2Å; K442-W446 HydrophobicContact CD-CE3 3.54Å; K442-W446 HydrophobicContact CD-CG 3.71Å; K442-W446 HydrophobicContact CD-CH2 3.84Å; K442-W446 HydrophobicContact CD-CZ2 3.53Å; K442-W446 HydrophobicContact CD-CZ3 3.84Å; K442-W446 HydrophobicContact CG-CD2 4.15Å; K442-W446 HydrophobicContact CG-CE3 4.28Å; K442-W446 HydrophobicContact CG-CG 4.41Å
443	S	98.5	Very high	97.3	Very high	52 Å²	52	59.6 Å²	59.6	36%	0.364	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-77.2	159.8	177.3	63.1	0	0	0	0	112.5	D408 K445 W446 Y447	D408-S443 WeakPolarHBondContact OD2-CA 3.38Å; S443-K445 PolarHBondContact O-N 3.31Å; S443-W446 WeakPolarHBondContact O-CB 3.36Å; S443-W446 PolarHBondContact O-N 2.91Å; S443-W446 VanDerWaalsContact O-N 3.1Å; S443-W446 PolarHBondContact OG-N 3.43Å; S443-Y447 PolarHBondContact O-N 2.78Å
444	F	98.3	Very high	96.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.2	-31.4	174	-159.4	-107.2	0	0	0	111.7	F294 W296 F359 M363 W406 L407 D408 Y410 W446 Y447 L448	F294-F444 HydrophobicContact CE1-CZ 4.45Å; F294-F444 HydrophobicContact CE2-CZ 4.5Å; F294-F444 HydrophobicContact CZ-CE1 4.38Å; F294-F444 AromaticContact CZ-CZ 3.74Å; F294-F444 HydrophobicContact CZ-CZ 3.74Å; W296-F444 HydrophobicContact CH2-CE1 4.14Å; W296-F444 HydrophobicContact CZ3-CE1 4.25Å; F359-F444 HydrophobicContact CD1-CE2 4.09Å; F359-F444 HydrophobicContact CD2-CE2 4.1Å; F359-F444 HydrophobicContact CE1-CE2 4.06Å; F359-F444 HydrophobicContact CE1-CZ 4.35Å; F359-F444 HydrophobicContact CE2-CE2 4.06Å; F359-F444 HydrophobicContact CE2-CZ 4.43Å; F359-F444 HydrophobicContact CG-CE2 4.12Å; F359-F444 HydrophobicContact CZ-CE2 4.06Å; F359-F444 HydrophobicContact CZ-CZ 4.16Å; M363-F444 HydrophobicContact CE-CB 4.32Å; M363-F444 HydrophobicContact CE-CD2 4.35Å; M363-F444 HydrophobicContact SD-CD2 3.88Å; W406-F444 WeakPolarHBondContact O-CB 3.1Å; W406-F444 VanDerWaalsContact O-CD2 3.25Å; W406-F444 WeakPolarHBondContact O-CD2 3.43Å; L407-F444 HydrophobicContact CD2-CD1 4.09Å; L407-F444 HydrophobicContact CD2-CD2 3.81Å; L407-F444 HydrophobicContact CD2-CE1 3.64Å; L407-F444 HydrophobicContact CD2-CE2 3.35Å; L407-F444 HydrophobicContact CD2-CG 4.16Å; L407-F444 HydrophobicContact CD2-CZ 3.25Å; D408-F444 HydrophobicContact CB-CB 4.33Å; D408-F444 PolarHBondContact OD2-N 3.43Å; Y410-F444 HydrophobicContact CD2-CB 4.19Å; Y410-F444 AromaticContact CD2-CD1 3.79Å; Y410-F444 HydrophobicContact CD2-CD1 3.79Å; Y410-F444 HydrophobicContact CD2-CG 4.48Å; Y410-F444 AromaticContact CG-CD1 3.85Å; Y410-F444 HydrophobicContact CG-CD1 3.85Å; Y410-F444 HydrophobicContact CG-CE1 4.49Å; F444-W446 VanDerWaalsContact C-N 3.32Å; F444-W446 PolarHBondContact O-N 3.18Å; F444-Y447 HydrophobicContact CD2-CD1 4.28Å; F444-Y447 AromaticContact CE2-CD1 3.75Å; F444-Y447 HydrophobicContact CE2-CD1 3.75Å; F444-Y447 HydrophobicContact CE2-CE1 4.17Å; F444-Y447 HydrophobicContact CE2-CG 4.33Å; F444-Y447 AromaticContact CZ-CD1 3.95Å; F444-Y447 HydrophobicContact CZ-CD1 3.95Å; F444-Y447 HydrophobicContact CZ-CE1 4.21Å; F444-Y447 WeakPolarHBondContact O-CB 3.48Å; F444-Y447 PolarHBondContact O-N 3.36Å; F444-Y447 VanDerWaalsContact O-N 3.14Å; F444-L448 HydrophobicContact CD1-CD1 3.94Å; F444-L448 HydrophobicContact CD1-CG 4.04Å; F444-L448 HydrophobicContact CE1-CD1 3.91Å; F444-L448 HydrophobicContact CE1-CD2 3.91Å; F444-L448 HydrophobicContact CE1-CG 3.86Å; F444-L448 HydrophobicContact CZ-CD2 4.36Å; F444-L448 PolarHBondContact O-N 2.84Å
445	K	97.2	Very high	96.3	Very high	88 Å²	88	57.3 Å²	57.3	38%	0.383	30%	0.296	S	S	.	.	H	α-helix	trans	-55.5	-47.1	169	178.3	164.7	173	42.5	0	111.6	Y410 S443 Y447 L448 D449	Y410-K445 HydrophobicContact CE2-CB 3.88Å; S443-K445 PolarHBondContact O-N 3.31Å; K445-Y447 VanDerWaalsContact C-N 3.29Å; K445-Y447 PolarHBondContact O-N 3.32Å; K445-L448 PolarHBondContact O-N 3.42Å; K445-D449 WeakPolarHBondContact CG-OD2 3.36Å; K445-D449 IonicContact NZ-OD1 3.7Å; K445-D449 IonicContact NZ-OD2 3.64Å; K445-D449 PolarHBondContact NZ-OD2 2.7Å; K445-D449 WeakPolarHBondContact O-CB 3.42Å; K445-D449 PolarHBondContact O-N 2.6Å
446	W	98.1	Very high	95.4	Very high	67 Å²	67	61.5 Å²	61.5	25%	0.254	32%	0.315	S	S	.	.	H	α-helix	trans	-60.1	-41.4	176.5	174.7	91	0	0	0	111.4	W362 K442 S443 F444 D449 N450 V451	W362-W446 WeakPolarHBondContact O-CZ3 3.48Å; K442-W446 HydrophobicContact CB-CB 4.08Å; K442-W446 HydrophobicContact CB-CD2 3.85Å; K442-W446 HydrophobicContact CB-CE3 3.76Å; K442-W446 HydrophobicContact CB-CG 3.96Å; K442-W446 HydrophobicContact CD-CD2 3.2Å; K442-W446 HydrophobicContact CD-CE3 3.54Å; K442-W446 HydrophobicContact CD-CG 3.71Å; K442-W446 HydrophobicContact CD-CH2 3.84Å; K442-W446 HydrophobicContact CD-CZ2 3.53Å; K442-W446 HydrophobicContact CD-CZ3 3.84Å; K442-W446 HydrophobicContact CG-CD2 4.15Å; K442-W446 HydrophobicContact CG-CE3 4.28Å; K442-W446 HydrophobicContact CG-CG 4.41Å; S443-W446 WeakPolarHBondContact O-CB 3.36Å; S443-W446 PolarHBondContact O-N 2.91Å; S443-W446 VanDerWaalsContact O-N 3.1Å; S443-W446 PolarHBondContact OG-N 3.43Å; F444-W446 VanDerWaalsContact C-N 3.32Å; F444-W446 PolarHBondContact O-N 3.18Å; W446-D449 PolarHBondContact O-N 3.42Å; W446-N450 HydrophobicContact CD2-CB 4.34Å; W446-N450 HydrophobicContact CZ2-CB 4.04Å; W446-N450 PolarHBondContact NE1-ND2 3.16Å; W446-N450 WeakPolarHBondContact O-CB 3.29Å; W446-N450 PolarHBondContact O-N 3.43Å; W446-N450 PolarHBondContact O-ND2 3.34Å; W446-V451 HydrophobicContact CH2-CG2 4.14Å; W446-V451 HydrophobicContact CZ3-CG2 3.99Å
447	Y	98.4	Very high	94.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.7	-47.6	176.5	172.4	-88.6	0	0	0	111.7	F294 P323 F359 W362 M363 S443 F444 K445 D449 N450 V451 Y452	F294-Y447 HydrophobicContact CE1-CE1 4.12Å; P323-Y447 VanDerWaalsContact C-OH 3.22Å; P323-Y447 WeakPolarHBondContact CB-OH 3.47Å; P323-Y447 PolarHBondContact O-OH 3.44Å; F359-Y447 HydrophobicContact CD1-CE1 4.16Å; F359-Y447 HydrophobicContact CD1-CE2 4.05Å; F359-Y447 AromaticContact CD1-CZ 3.77Å; F359-Y447 HydrophobicContact CE1-CE1 4Å; F359-Y447 AromaticContact CE1-CZ 3.85Å; W362-Y447 HydrophobicContact CB-CD2 3.77Å; W362-Y447 HydrophobicContact CB-CE2 3.9Å; W362-Y447 AromaticContact CD1-CE2 3.76Å; W362-Y447 HydrophobicContact CG-CD2 4.28Å; W362-Y447 AromaticContact CG-CE2 3.99Å; W362-Y447 HydrophobicContact CG-CE2 3.99Å; M363-Y447 HydrophobicContact CG-CD2 4.3Å; M363-Y447 HydrophobicContact CG-CG 4.47Å; S443-Y447 PolarHBondContact O-N 2.78Å; F444-Y447 HydrophobicContact CD2-CD1 4.28Å; F444-Y447 AromaticContact CE2-CD1 3.75Å; F444-Y447 HydrophobicContact CE2-CD1 3.75Å; F444-Y447 HydrophobicContact CE2-CE1 4.17Å; F444-Y447 HydrophobicContact CE2-CG 4.33Å; F444-Y447 AromaticContact CZ-CD1 3.95Å; F444-Y447 HydrophobicContact CZ-CD1 3.95Å; F444-Y447 HydrophobicContact CZ-CE1 4.21Å; F444-Y447 WeakPolarHBondContact O-CB 3.48Å; F444-Y447 PolarHBondContact O-N 3.36Å; F444-Y447 VanDerWaalsContact O-N 3.14Å; K445-Y447 VanDerWaalsContact C-N 3.29Å; K445-Y447 PolarHBondContact O-N 3.32Å; Y447-D449 PolarHBondContact O-N 3.34Å; Y447-N450 PolarHBondContact O-N 3.35Å; Y447-V451 HydrophobicContact CD2-CB 3.83Å; Y447-V451 HydrophobicContact CD2-CG1 4.07Å; Y447-V451 HydrophobicContact CD2-CG2 3.99Å; Y447-V451 HydrophobicContact CE2-CB 3.92Å; Y447-V451 HydrophobicContact CE2-CG1 3.65Å; Y447-V451 HydrophobicContact CE2-CG2 4.4Å; Y447-V451 HydrophobicContact CG-CB 4.34Å; Y447-V451 WeakPolarHBondContact O-CA 3.49Å; Y447-V451 VanDerWaalsContact O-CB 3.27Å; Y447-V451 WeakPolarHBondContact O-CB 3.44Å; Y447-V451 PolarHBondContact O-N 3.4Å; Y447-Y452 PolarHBondContact O-N 3.2Å; Y447-Y452 VanDerWaalsContact O-N 3.1Å
448	L	96.2	Very high	93	Very high	7 Å²	7	58.5 Å²	58.5	4%	0.037	31%	0.314	C	S	.	.	H	α-helix	trans	-63.1	-41.9	176.6	-65.9	176.4	0	0	0	111.8	W296 Y410 F444 K445 N450 Y452 P453 M455 I457	W296-L448 HydrophobicContact CH2-CD1 4.18Å; Y410-L448 HydrophobicContact CD1-CD1 3.58Å; Y410-L448 HydrophobicContact CD2-CD1 4.47Å; Y410-L448 HydrophobicContact CE1-CD1 3.5Å; Y410-L448 VanDerWaalsContact CE1-CD1 3.5Å; Y410-L448 HydrophobicContact CE2-CD1 4.42Å; Y410-L448 HydrophobicContact CG-CD1 4.09Å; F444-L448 HydrophobicContact CD1-CD1 3.94Å; F444-L448 HydrophobicContact CD1-CG 4.04Å; F444-L448 HydrophobicContact CE1-CD1 3.91Å; F444-L448 HydrophobicContact CE1-CD2 3.91Å; F444-L448 HydrophobicContact CE1-CG 3.86Å; F444-L448 HydrophobicContact CZ-CD2 4.36Å; F444-L448 PolarHBondContact O-N 2.84Å; K445-L448 PolarHBondContact O-N 3.42Å; L448-N450 PolarHBondContact O-N 3.16Å; L448-Y452 CarbonylContact O-C 3.59Å; L448-P453 WeakPolarHBondContact O-CA 3.49Å; L448-M455 HydrophobicContact CD2-CB 3.99Å; L448-M455 HydrophobicContact CD2-CG 4.01Å; L448-I457 HydrophobicContact CD1-CD1 4.03Å; L448-I457 HydrophobicContact CD1-CG1 4.44Å
449	D	95	Very high	91.4	Very high	77 Å²	77	52.8 Å²	52.8	41%	0.412	31%	0.305	S	S	.	.	H	α-helix	trans	-71.6	-30.4	-177.4	-69.5	-27.1	0	0	0	113.2	K445 W446 Y447	K445-D449 WeakPolarHBondContact CG-OD2 3.36Å; K445-D449 IonicContact NZ-OD1 3.7Å; K445-D449 IonicContact NZ-OD2 3.64Å; K445-D449 PolarHBondContact NZ-OD2 2.7Å; K445-D449 WeakPolarHBondContact O-CB 3.42Å; K445-D449 PolarHBondContact O-N 2.6Å; W446-D449 PolarHBondContact O-N 3.42Å; Y447-D449 PolarHBondContact O-N 3.34Å
450	N	95.4	Very high	89.3	Confident	102 Å²	102	55.8 Å²	55.8	55%	0.545	33%	0.33	S	S	.	.	H	α-helix	trans	-115.1	-26.2	-168.7	-64.6	-96.4	0	0	0	114.6	W446 Y447 L448	W446-N450 HydrophobicContact CD2-CB 4.34Å; W446-N450 HydrophobicContact CZ2-CB 4.04Å; W446-N450 PolarHBondContact NE1-ND2 3.16Å; W446-N450 WeakPolarHBondContact O-CB 3.29Å; W446-N450 PolarHBondContact O-N 3.43Å; W446-N450 PolarHBondContact O-ND2 3.34Å; Y447-N450 PolarHBondContact O-N 3.35Å; L448-N450 PolarHBondContact O-N 3.16Å
451	V	95.5	Very high	87.2	Confident	17 Å²	17	59.4 Å²	59.4	10%	0.103	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-41.9	-175.9	-178.2	0	0	0	0	111.2	P323 W362 W446 Y447	P323-V451 HydrophobicContact CB-CG1 4.44Å; W362-V451 HydrophobicContact CB-CG2 4.19Å; W362-V451 HydrophobicContact CD2-CB 4.42Å; W362-V451 HydrophobicContact CD2-CG1 3.7Å; W362-V451 HydrophobicContact CD2-CG2 3.78Å; W362-V451 HydrophobicContact CE3-CG1 4.38Å; W362-V451 HydrophobicContact CE3-CG2 3.78Å; W362-V451 HydrophobicContact CG-CG1 3.81Å; W362-V451 HydrophobicContact CG-CG2 4.01Å; W362-V451 HydrophobicContact CZ2-CG1 4.15Å; W362-V451 HydrophobicContact CZ3-CG2 4.44Å; W446-V451 HydrophobicContact CH2-CG2 4.14Å; W446-V451 HydrophobicContact CZ3-CG2 3.99Å; Y447-V451 HydrophobicContact CD2-CB 3.83Å; Y447-V451 HydrophobicContact CD2-CG1 4.07Å; Y447-V451 HydrophobicContact CD2-CG2 3.99Å; Y447-V451 HydrophobicContact CE2-CB 3.92Å; Y447-V451 HydrophobicContact CE2-CG1 3.65Å; Y447-V451 HydrophobicContact CE2-CG2 4.4Å; Y447-V451 HydrophobicContact CG-CB 4.34Å; Y447-V451 WeakPolarHBondContact O-CA 3.49Å; Y447-V451 VanDerWaalsContact O-CB 3.27Å; Y447-V451 WeakPolarHBondContact O-CB 3.44Å; Y447-V451 PolarHBondContact O-N 3.4Å
452	Y	95.6	Very high	85.1	Confident	1 Å²	1	61.2 Å²	61.2	0%	0.004	35%	0.346	C	S	.	.			trans	-135.4	60.7	-176.3	-162.5	-161.9	0	0	0	114.1	F294 K301 D303 P323 Y447 L448 E454 M455	F294-Y452 HydrophobicContact CD1-CD1 4.13Å; F294-Y452 AromaticContact CD1-CE1 3.91Å; F294-Y452 HydrophobicContact CD1-CE1 3.91Å; F294-Y452 AromaticContact CE1-CD1 3.77Å; F294-Y452 HydrophobicContact CE1-CD1 3.77Å; F294-Y452 AromaticContact CE1-CE1 3.93Å; F294-Y452 HydrophobicContact CE1-CE1 3.93Å; K301-Y452 VanDerWaalsContact CE-OH 3.31Å; K301-Y452 WeakPolarHBondContact CE-OH 3.44Å; K301-Y452 PolarHBondContact NZ-OH 3.49Å; D303-Y452 WeakPolarHBondContact OD2-CE2 3.46Å; D303-Y452 PolarHBondContact OD2-OH 3.38Å; P323-Y452 HydrophobicContact CB-CD1 3.89Å; P323-Y452 HydrophobicContact CB-CD2 4.2Å; P323-Y452 HydrophobicContact CB-CE1 4.48Å; P323-Y452 HydrophobicContact CB-CG 3.75Å; P323-Y452 HydrophobicContact CG-CD1 4.24Å; P323-Y452 HydrophobicContact CG-CD2 3.63Å; P323-Y452 HydrophobicContact CG-CE2 4.17Å; P323-Y452 HydrophobicContact CG-CG 3.68Å; Y447-Y452 PolarHBondContact O-N 3.2Å; Y447-Y452 VanDerWaalsContact O-N 3.1Å; L448-Y452 CarbonylContact O-C 3.59Å; Y452-E454 HydrophobicContact CD2-CB 4.49Å; Y452-E454 WeakPolarHBondContact CD2-OE2 3.23Å; Y452-E454 HydrophobicContact CE2-CB 4.37Å; Y452-E454 PolarHBondContact O-N 3.29Å; Y452-M455 HydrophobicContact CD1-CB 3.74Å; Y452-M455 HydrophobicContact CD1-CG 4.28Å; Y452-M455 HydrophobicContact CD2-CB 4.41Å; Y452-M455 HydrophobicContact CE1-CB 3.85Å; Y452-M455 HydrophobicContact CE1-CE 4.25Å; Y452-M455 HydrophobicContact CE1-CG 4.17Å; Y452-M455 HydrophobicContact CE1-SD 3.91Å; Y452-M455 HydrophobicContact CG-CB 4.02Å; Y452-M455 WeakPolarHBondContact O-CB 3.13Å; Y452-M455 PolarHBondContact O-N 3.47Å; Y452-M455 VanDerWaalsContact O-N 3.16Å
453	P	91.6	Very high	83.1	Confident	68 Å²	68	64.3 Å²	64.3	44%	0.442	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.5	-176.8	28.8	-36.4	0	0	0	113.8	L448 M455	L448-P453 WeakPolarHBondContact O-CA 3.49Å; P453-M455 VanDerWaalsContact C-N 3.31Å
454	E	87.6	Confident	80.6	Confident	90 Å²	90	67.9 Å²	67.9	42%	0.421	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-9.1	176.8	-52.3	86.4	168.7	0	0	113.4	R291 P306 Y452 Q456	R291-E454 IonicContact CZ-OE2 3.32Å; R291-E454 IonicContact NH1-OE2 3.6Å; R291-E454 IonicContact NH2-OE1 2.81Å; R291-E454 PolarHBondContact NH2-OE1 3.04Å; R291-E454 IonicContact NH2-OE2 3.19Å; R291-E454 PolarHBondContact NH2-OE2 2.9Å; P306-E454 WeakPolarHBondContact CG-OE1 3.44Å; Y452-E454 HydrophobicContact CD2-CB 4.49Å; Y452-E454 WeakPolarHBondContact CD2-OE2 3.23Å; Y452-E454 HydrophobicContact CE2-CB 4.37Å; Y452-E454 PolarHBondContact O-N 3.29Å; E454-Q456 PolarHBondContact O-N 3.23Å
455	M	88	Confident	78.3	Confident	18 Å²	18	74.2 Å²	74.2	9%	0.089	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-64.8	118.7	176.8	-176.3	55.7	137.8	0	0	110.5	F294 W296 L448 Y452 P453 I457	F294-M455 HydrophobicContact CD1-CE 4Å; F294-M455 HydrophobicContact CD2-CE 3.52Å; F294-M455 HydrophobicContact CE1-CE 3.74Å; F294-M455 HydrophobicContact CE2-CE 3.2Å; F294-M455 HydrophobicContact CG-CE 3.88Å; F294-M455 HydrophobicContact CZ-CE 3.29Å; F294-M455 WeakPolarHBondContact O-CE 3.44Å; W296-M455 HydrophobicContact CD2-CE 4.23Å; W296-M455 HydrophobicContact CZ2-CE 4.34Å; W296-M455 HydrophobicContact CZ2-CG 3.92Å; L448-M455 HydrophobicContact CD2-CB 3.99Å; L448-M455 HydrophobicContact CD2-CG 4.01Å; Y452-M455 HydrophobicContact CD1-CB 3.74Å; Y452-M455 HydrophobicContact CD1-CG 4.28Å; Y452-M455 HydrophobicContact CD2-CB 4.41Å; Y452-M455 HydrophobicContact CE1-CB 3.85Å; Y452-M455 HydrophobicContact CE1-CE 4.25Å; Y452-M455 HydrophobicContact CE1-CG 4.17Å; Y452-M455 HydrophobicContact CE1-SD 3.91Å; Y452-M455 HydrophobicContact CG-CB 4.02Å; Y452-M455 WeakPolarHBondContact O-CB 3.13Å; Y452-M455 PolarHBondContact O-N 3.47Å; Y452-M455 VanDerWaalsContact O-N 3.16Å; P453-M455 VanDerWaalsContact C-N 3.31Å; M455-I457 PolarHBondContact O-N 2.88Å
456	Q	78.4	Confident	75.6	Confident	112 Å²	112	77.9 Å²	77.9	52%	0.523	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-73	124.5	179.7	-67.1	-171.6	-35.2	0	0	110.7	W296 E454	W296-Q456 PolarHBondContact NE1-O 3.23Å; E454-Q456 PolarHBondContact O-N 3.23Å
457	I	77.4	Confident	72.7	Confident	33 Å²	33	80 Å²	80	17%	0.169	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-103.1	132.3	176.1	-54.1	163.1	0	0	0	108.3	W296 Y410 Q413 L448 M455 A462	W296-I457 HydrophobicContact CZ2-CG1 4.02Å; Y410-I457 HydrophobicContact CE1-CD1 4.07Å; Q413-I457 VanDerWaalsContact NE2-CG2 3.33Å; L448-I457 HydrophobicContact CD1-CD1 4.03Å; L448-I457 HydrophobicContact CD1-CG1 4.44Å; M455-I457 PolarHBondContact O-N 2.88Å; I457-A462 WeakPolarHBondContact O-CA 3.39Å; I457-A462 WeakPolarHBondContact O-CB 3.38Å
458	S	70.3	Confident	70	Confident	78 Å²	78	86 Å²	86	55%	0.545	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-79.6	142	174.4	-53.5	0	0	0	0	110.8	Q413	Q413-S458 PolarHBondContact NE2-O 3.3Å
459	G	65	Low	67.2	Low	54 Å²	54	92.7 Å²	92.7	56%	0.557	51%	0.512	S	S	*	.	S	Bend	trans	105.6	-157.9	175.9	0	0	0	0	0	114.4	H461 A462	G459-H461 PolarHBondContact O-N 2.86Å; G459-A462 VanDerWaalsContact O-CB 3.3Å; G459-A462 WeakPolarHBondContact O-CB 3.36Å; G459-A462 PolarHBondContact O-N 3.45Å
460	S	52.9	Low	64.4	Low	121 Å²	121	95.1 Å²	95.1	85%	0.846	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-8.3	-171.4	41.1	0	0	0	0	115.8
461	H	54.2	Low	61.5	Low	140 Å²	140	96.5 Å²	96.5	65%	0.648	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	11.7	176.3	-62.3	-57.1	0	0	0	113.8	G459 K463	G459-H461 PolarHBondContact O-N 2.86Å; H461-K463 PolarHBondContact O-N 2.87Å; H461-K463 VanDerWaalsContact O-N 3.12Å
462	A	55.1	Low	58.8	Low	60 Å²	60	106.6 Å²	106.6	50%	0.496	57%	0.573	S	S	.	*			trans	-62.8	112.3	176.8	0	0	0	0	0	110.7	I457 G459	I457-A462 WeakPolarHBondContact O-CA 3.39Å; I457-A462 WeakPolarHBondContact O-CB 3.38Å; G459-A462 VanDerWaalsContact O-CB 3.3Å; G459-A462 WeakPolarHBondContact O-CB 3.36Å; G459-A462 PolarHBondContact O-N 3.45Å
463	K	56.4	Low	56.4	Low	165 Å²	165	109.1 Å²	109.1	72%	0.717	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-75	136.4	170	-71.8	-176.4	-178.4	173.2	0	109.5	H461 Q465	H461-K463 PolarHBondContact O-N 2.87Å; H461-K463 VanDerWaalsContact O-N 3.12Å; K463-Q465 PolarHBondContact O-N 3.44Å
464	P	45.9	Very low	54.7	Low	128 Å²	128	111.8 Å²	111.8	83%	0.831	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-60.6	131.5	174.2	-12.2	22.8	0	0	0	110.1
465	Q	50.2	Low	53.6	Low	132 Å²	132	116.7 Å²	116.7	62%	0.617	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-80.6	130.6	-179.2	-151.6	-179.9	19.4	0	0	110.2	K463	K463-Q465 PolarHBondContact O-N 3.44Å
466	Q	41.2	Very low	53	Low	166 Å²	166	126.7 Å²	126.7	78%	0.776	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-82.5	129.3	154.9	-75.6	-165	-7.7	0	0	108.1	I468	Q466-I468 PolarHBondContact O-N 2.82Å
467	P	37.3	Very low	53.1	Low	112 Å²	112	123.6 Å²	123.6	73%	0.727	66%	0.663	S	S	*	*			trans	-71.6	98.5	178.4	28	-30.6	0	0	0	109	F469	P467-F469 PolarHBondContact O-N 3.36Å; P467-F469 VanDerWaalsContact O-N 3.16Å
468	I	40.7	Very low	53.7	Low	124 Å²	124	128.5 Å²	128.5	64%	0.636	68%	0.683	S	S	*	*			trans	-86.4	74.1	165.1	-50.8	176.5	0	0	0	106.9	Q466	Q466-I468 PolarHBondContact O-N 2.82Å
469	F	38.4	Very low	54.8	Low	149 Å²	149	128.4 Å²	128.4	65%	0.654	68%	0.679	S	S	*	*			trans	-125.9	84.6	163.4	-75.4	-77.1	0	0	0	108.3	P467 N471	P467-F469 PolarHBondContact O-N 3.36Å; P467-F469 VanDerWaalsContact O-N 3.16Å; F469-N471 PolarHBondContact O-N 3.42Å; F469-N471 VanDerWaalsContact O-N 3.07Å
470	V	35.3	Very low	56.1	Low	128 Å²	128	130.2 Å²	130.2	78%	0.776	68%	0.675	S	S	*	*			trans	-78.2	76.3	149.4	-170.3	0	0	0	0	105.5	R472	V470-R472 HydrophobicContact CG1-CG 4.28Å; V470-R472 PolarHBondContact O-N 2.81Å
471	N	34.9	Very low	58.1	Low	131 Å²	131	126.9 Å²	126.9	70%	0.701	65%	0.646	S	S	*	*			trans	-65.2	90.5	159.2	-85.5	-14.2	0	0	0	105.2	F469 G473	F469-N471 PolarHBondContact O-N 3.42Å; F469-N471 VanDerWaalsContact O-N 3.07Å; N471-G473 PolarHBondContact O-N 2.04Å
472	R	38.9	Very low	60	Low	229 Å²	229	127.1 Å²	127.1	86%	0.864	64%	0.641	S	S	*	*			trans	-56.6	102.2	152	-78.2	-173.8	176.1	179	-0.7	103.7	V470	V470-R472 HydrophobicContact CG1-CG 4.28Å; V470-R472 PolarHBondContact O-N 2.81Å
473	G	43.8	Very low	61.9	Low	53 Å²	53	124.5 Å²	124.5	55%	0.546	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-48.4	140.2	179	0	0	0	0	0	108.4	N471 K475	N471-G473 PolarHBondContact O-N 2.04Å; G473-K475 PolarHBondContact O-N 3.23Å
474	P	57	Low	63.8	Low	125 Å²	125	117.6 Å²	117.6	81%	0.812	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-50.9	124.1	-179.3	19.9	-30.2	0	0	0	107.9	R476	P474-R476 PolarHBondContact O-N 2.84Å
475	K	65.3	Low	66.3	Low	192 Å²	192	111.5 Å²	111.5	84%	0.835	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-54.6	127.1	178.9	-159.6	-177.6	-177.8	-168.9	0	106.1	G473 P477	G473-K475 PolarHBondContact O-N 3.23Å; K475-P477 WeakPolarHBondContact O-CD 3.37Å
476	R	73.8	Confident	68.4	Low	229 Å²	229	107.8 Å²	107.8	86%	0.864	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-63.1	130.1	178.4	-75.7	-173.5	-178.3	-176.7	1.1	108.2	P474 K478	P474-R476 PolarHBondContact O-N 2.84Å; R476-K478 PolarHBondContact O-N 2.8Å
477	P	82.2	Confident	70.9	Confident	46 Å²	46	99.9 Å²	99.9	30%	0.299	49%	0.494	S	S	.	.			trans	-41.1	133.1	169.5	-40	42.6	0	0	0	113.8	K475 V479 N524 E526	K475-P477 WeakPolarHBondContact O-CD 3.37Å; P477-V479 PolarHBondContact O-N 2.97Å; P477-N524 HydrophobicContact CB-CB 3.72Å; P477-N524 WeakPolarHBondContact CB-ND2 3.36Å; P477-E526 WeakPolarHBondContact CB-OE2 3.36Å; P477-E526 WeakPolarHBondContact CG-OE2 3.41Å
478	K	89.9	Confident	73.6	Confident	137 Å²	137	97.2 Å²	97.2	60%	0.596	47%	0.473	S	S	*	.			trans	-64.8	127.6	165.4	-173.3	-178.5	174.9	-173.7	0	109.3	R476 L480 N524 E525	R476-K478 PolarHBondContact O-N 2.8Å; K478-L480 PolarHBondContact O-N 3.15Å; K478-N524 CarbonylContact O-C 3.51Å; K478-N524 WeakPolarHBondContact O-CA 3.15Å; K478-E525 HydrophobicContact CB-CB 4.33Å; K478-E525 VanDerWaalsContact CB-CD 3.46Å; K478-E525 HydrophobicContact CB-CG 4.12Å; K478-E525 WeakPolarHBondContact CB-OE1 3.27Å; K478-E525 PolarHBondContact N-OE1 3.04Å; K478-E525 PolarHBondContact O-N 3.07Å
479	V	92	Very high	76	Confident	75 Å²	75	95.9 Å²	95.9	46%	0.455	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	124.5	171.2	175.7	0	0	0	0	108.8	P477 R482 I522	P477-V479 PolarHBondContact O-N 2.97Å; V479-R482 HydrophobicContact CG1-CB 4.46Å; V479-I522 HydrophobicContact CB-CG2 4.29Å; V479-I522 HydrophobicContact CG1-CG2 3.85Å; V479-I522 HydrophobicContact CG2-CG2 3.67Å
480	L	93.1	Very high	78.6	Confident	92 Å²	92	90.1 Å²	90.1	48%	0.482	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-42.4	175	-61.5	-176.9	0	0	0	111.1	K478 Y523 N524 E525	K478-L480 PolarHBondContact O-N 3.15Å; L480-Y523 HydrophobicContact CB-CD1 4.18Å; L480-Y523 HydrophobicContact CD1-CD1 4.2Å; L480-Y523 HydrophobicContact CD1-CE1 4.03Å; L480-Y523 PolarHBondContact N-O 2.95Å; L480-N524 WeakPolarHBondContact CD1-O 3.35Å; L480-E525 HydrophobicContact CD2-CB 4.43Å
481	Q	94	Very high	81.3	Confident	52 Å²	52	89.4 Å²	89.4	24%	0.243	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	150	-176	-163.5	172.9	4.3	0	0	110.5	Y523 L606 E607	Q481-Y523 PolarHBondContact N-O 2.8Å; Q481-Y523 VanDerWaalsContact N-O 3.13Å; Q481-Y523 PolarHBondContact O-N 3.35Å; Q481-L606 HydrophobicContact CB-CD2 3.97Å; Q481-L606 HydrophobicContact CG-CD2 3.95Å; Q481-L606 HydrophobicContact CG-CG 4.14Å; Q481-L606 PolarHBondContact NE2-O 2.78Å; Q481-E607 VanDerWaalsContact CG-O 3.32Å; Q481-E607 WeakPolarHBondContact CG-O 3.27Å; Q481-E607 PolarHBondContact NE2-O 3.46Å
482	R	94.8	Very high	84.1	Confident	144 Å²	144	85.7 Å²	85.7	54%	0.543	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	126.1	179.2	178.2	-177.9	-179.3	129	2.9	109.9	V479 I520 W521 I522	V479-R482 HydrophobicContact CG1-CB 4.46Å; R482-I520 HydrophobicContact CG-CG2 3.81Å; R482-W521 WeakPolarHBondContact CA-O 3.08Å; R482-I522 HydrophobicContact CB-CG1 4.45Å; R482-I522 HydrophobicContact CG-CG1 4.06Å
483	G	95.4	Very high	86.8	Confident	5 Å²	5	74.8 Å²	74.8	5%	0.052	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.7	-172.4	180	0	0	0	0	0	112.9	W521 L606	G483-W521 PolarHBondContact N-O 2.88Å; G483-W521 WeakPolarHBondContact O-CA 3.21Å; G483-W521 PolarHBondContact O-N 3.48Å; G483-L606 WeakPolarHBondContact O-CD1 3.3Å
484	R	96.3	Very high	89.3	Confident	21 Å²	21	72.3 Å²	72.3	8%	0.079	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	141.7	174.5	-63.3	169.9	-177.1	71.9	12.5	110.3	D513 Y514 Q519 I520 L606 E607	R484-D513 PolarHBondContact NE-O 3.3Å; R484-D513 PolarHBondContact NH2-O 2.77Å; R484-Y514 PolarHBondContact NH2-O 2.99Å; R484-Q519 HydrophobicContact CG-CB 4.27Å; R484-I520 HydrophobicContact CG-CD1 4.04Å; R484-L606 WeakPolarHBondContact O-CA 3.12Å; R484-E607 HydrophobicContact CB-CG 4.28Å; R484-E607 WeakPolarHBondContact CB-OE2 3.5Å; R484-E607 WeakPolarHBondContact CG-OE2 3.02Å; R484-E607 PolarHBondContact N-OE2 3.34Å; R484-E607 IonicContact NH1-OE2 3.79Å; R484-E607 PolarHBondContact NH1-OE2 3.42Å; R484-E607 PolarHBondContact O-N 3.19Å
485	L	96.8	Very high	91.1	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	107.8	172.7	178.9	60.8	0	0	0	108.2	C493 L494 W521 L529 F564 L570 W604 H605 L606	L485-C493 CarbonylContact O-C 3.48Å; L485-C493 WeakPolarHBondContact O-CA 3.48Å; L485-L494 HydrophobicContact CB-CB 4.44Å; L485-L494 HydrophobicContact CD2-CB 4.31Å; L485-L494 HydrophobicContact CD2-CD2 3.7Å; L485-L494 HydrophobicContact CG-CB 4.35Å; L485-L494 PolarHBondContact O-N 2.88Å; L485-W521 HydrophobicContact CB-CG 4.07Å; L485-L529 HydrophobicContact CD2-CD1 4.04Å; L485-F564 HydrophobicContact CD1-CE1 3.97Å; L485-F564 HydrophobicContact CD1-CZ 4.15Å; L485-L570 HydrophobicContact CD1-CD2 4.43Å; L485-L570 HydrophobicContact CD2-CD2 3.74Å; L485-W604 HydrophobicContact CD1-CB 4.17Å; L485-W604 HydrophobicContact CG-CE3 4.43Å; L485-H605 CarbonylContact C-O 3.59Å; L485-H605 WeakPolarHBondContact CA-O 3.34Å; L485-L606 HydrophobicContact CB-CD1 4.09Å; L485-L606 HydrophobicContact CD1-CB 4.2Å
486	Y	94.7	Very high	92.5	Very high	54 Å²	54	57.8 Å²	57.8	21%	0.212	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	148.4	-176.1	62.4	-90.2	0	0	0	113.2	L488 K492 W604 H605 E607	Y486-L488 HydrophobicContact CD2-CD2 4.41Å; Y486-L488 HydrophobicContact CE2-CD2 3.81Å; Y486-K492 CarbonylContact C-O 3.52Å; Y486-K492 VanDerWaalsContact CA-O 3.28Å; Y486-K492 WeakPolarHBondContact CA-O 3.44Å; Y486-K492 WeakPolarHBondContact CB-O 3.48Å; Y486-W604 WeakPolarHBondContact O-CA 3.3Å; Y486-H605 WeakPolarHBondContact CD1-O 3.48Å; Y486-H605 HydrophobicContact CD2-CB 4.39Å; Y486-H605 HydrophobicContact CE1-CB 4.13Å; Y486-H605 AromaticContact CE1-CD2 3.5Å; Y486-H605 HydrophobicContact CE2-CB 3.89Å; Y486-H605 AromaticContact CZ-CD2 3.37Å; Y486-H605 AromaticContact CZ-CG 3.85Å; Y486-H605 PolarHBondContact N-O 2.89Å; Y486-H605 PolarHBondContact O-N 3.35Å; Y486-H605 PolarHBondContact OH-CD2 2.88Å; Y486-E607 HydrophobicContact CD1-CG 4.16Å; Y486-E607 HydrophobicContact CE1-CG 3.74Å
487	H	94.9	Very high	93.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123.6	176.5	178.7	-112.2	0	0	0	110	Q489 T490 N491 K492 L509 A581 S600 S601 Q603 W604	H487-Q489 PolarHBondContact O-N 2.83Å; H487-T490 WeakPolarHBondContact ND1-CG2 3.49Å; H487-T490 PolarHBondContact ND1-N 2.96Å; H487-T490 PolarHBondContact ND1-OG1 3.48Å; H487-T490 PolarHBondContact O-N 3.25Å; H487-N491 WeakPolarHBondContact O-CA 3.34Å; H487-N491 PolarHBondContact O-N 2.82Å; H487-K492 PolarHBondContact N-O 3.35Å; H487-L509 HydrophobicContact CB-CD1 4.37Å; H487-L509 HydrophobicContact CB-CD2 4.01Å; H487-A581 WeakPolarHBondContact NE2-CB 3.31Å; H487-S600 PolarHBondContact NE2-O 2.85Å; H487-S601 VanDerWaalsContact NE2-C 3.32Å; H487-S601 WeakPolarHBondContact NE2-CA 3.26Å; H487-S601 PolarHBondContact NE2-O 2.85Å; H487-Q603 PolarHBondContact CD2-O 2.79Å; H487-W604 HydrophobicContact CB-CE3 3.93Å; H487-W604 HydrophobicContact CB-CH2 4.04Å; H487-W604 HydrophobicContact CB-CZ3 3.71Å; H487-W604 AromaticContact CD2-CZ2 3.99Å
488	L	93.5	Very high	93.9	Very high	55 Å²	55	52.2 Å²	52.2	29%	0.288	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-32.1	-167.5	-77.4	170.8	0	0	0	113.9	Y486 N568 Q603 H605	Y486-L488 HydrophobicContact CD2-CD2 4.41Å; Y486-L488 HydrophobicContact CE2-CD2 3.81Å; L488-N568 HydrophobicContact CD1-CB 3.98Å; L488-Q603 HydrophobicContact CB-CB 4.06Å; L488-Q603 HydrophobicContact CD1-CB 3.8Å; L488-Q603 HydrophobicContact CG-CB 4.4Å; L488-Q603 PolarHBondContact N-O 3.3Å; L488-H605 HydrophobicContact CD2-CB 3.97Å; L488-H605 HydrophobicContact CG-CB 4.24Å
489	Q	92	Very high	94.1	Very high	96 Å²	96	54.8 Å²	54.8	45%	0.449	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-31.1	-179.6	-171	-177.4	32.5	0	0	112.9	H487 S600	H487-Q489 PolarHBondContact O-N 2.83Å; Q489-S600 PolarHBondContact NE2-OG 2.82Å
490	T	91.4	Very high	94.1	Very high	29 Å²	29	51.9 Å²	51.9	18%	0.178	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-11.2	-170.6	60.6	0	0	0	0	113.6	H487 K492 P584	H487-T490 WeakPolarHBondContact ND1-CG2 3.49Å; H487-T490 PolarHBondContact ND1-N 2.96Å; H487-T490 PolarHBondContact ND1-OG1 3.48Å; H487-T490 PolarHBondContact O-N 3.25Å; T490-K492 PolarHBondContact O-N 2.93Å; T490-K492 VanDerWaalsContact O-N 3.15Å; T490-P584 HydrophobicContact CG2-CB 3.48Å; T490-P584 VanDerWaalsContact CG2-CB 3.48Å; T490-P584 WeakPolarHBondContact CG2-O 3.44Å
491	N	91.7	Very high	94.2	Very high	112 Å²	112	51 Å²	51	60%	0.599	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	30.6	-171.8	-66.4	-26.8	0	0	0	113.3	H487 C512	H487-N491 WeakPolarHBondContact O-CA 3.34Å; H487-N491 PolarHBondContact O-N 2.82Å; N491-C512 PolarHBondContact O-SG 2.91Å
492	K	94.1	Very high	94.2	Very high	54 Å²	54	53.5 Å²	53.5	24%	0.235	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	145.3	174.3	-70.1	-179.9	-175.5	170.5	0	109.9	Y486 H487 T490 L509 K510 G586	Y486-K492 CarbonylContact C-O 3.52Å; Y486-K492 VanDerWaalsContact CA-O 3.28Å; Y486-K492 WeakPolarHBondContact CA-O 3.44Å; Y486-K492 WeakPolarHBondContact CB-O 3.48Å; H487-K492 PolarHBondContact N-O 3.35Å; T490-K492 PolarHBondContact O-N 2.93Å; T490-K492 VanDerWaalsContact O-N 3.15Å; K492-L509 HydrophobicContact CB-CB 3.97Å; K492-L509 HydrophobicContact CB-CD2 4.09Å; K492-L509 HydrophobicContact CD-CB 4.2Å; K492-K510 CarbonylContact C-O 3.58Å; K492-K510 VanDerWaalsContact CA-O 3.3Å; K492-K510 WeakPolarHBondContact CA-O 3.09Å; K492-K510 VanDerWaalsContact CB-O 3.25Å; K492-K510 WeakPolarHBondContact CB-O 3.46Å; K492-G586 PolarHBondContact NZ-O 2.82Å
493	C	95.4	Very high	94.2	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	140.3	-179.1	-76	0	0	0	0	110.9	L485 V495 L509 K510 C512	L485-C493 CarbonylContact O-C 3.48Å; L485-C493 WeakPolarHBondContact O-CA 3.48Å; C493-V495 HydrophobicContact CB-CG1 4.32Å; C493-L509 WeakPolarHBondContact O-CA 3.37Å; C493-K510 PolarHBondContact N-O 3.31Å; C493-K510 PolarHBondContact O-N 2.96Å; C493-C512 HydrophobicContact CB-CB 4.09Å; C493-C512 WeakPolarHBondContact CB-SG 3.22Å; C493-C512 PolarHBondContact N-SG 2.86Å; C493-C512 VanDerWaalsContact SG-CA 3.58Å; C493-C512 WeakPolarHBondContact SG-CB 3.47Å; C493-C512 CovalentContact SG-SG 2.04Å; C493-C512 PolarHBondContact SG-SG 3.18Å
494	L	96.4	Very high	94.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	124.7	171.3	-168.9	72.6	0	0	0	109	L485 V507 W521 L537 L579 V591 W604	L485-L494 HydrophobicContact CB-CB 4.44Å; L485-L494 HydrophobicContact CD2-CB 4.31Å; L485-L494 HydrophobicContact CD2-CD2 3.7Å; L485-L494 HydrophobicContact CG-CB 4.35Å; L485-L494 PolarHBondContact O-N 2.88Å; L494-V507 HydrophobicContact CD1-CB 4.05Å; L494-V507 HydrophobicContact CD1-CG2 4Å; L494-V507 HydrophobicContact CD2-CG2 4.45Å; L494-V507 HydrophobicContact CG-CB 4.22Å; L494-V507 HydrophobicContact CG-CG2 4.41Å; L494-W521 HydrophobicContact CB-CZ2 4.48Å; L494-W521 HydrophobicContact CD2-CH2 4.38Å; L494-W521 HydrophobicContact CD2-CZ2 3.83Å; L494-W521 HydrophobicContact CG-CZ2 4.03Å; L494-W521 PolarHBondContact O-NE1 3.4Å; L494-L537 HydrophobicContact CD2-CD2 4.21Å; L494-L579 HydrophobicContact CD1-CD2 4.43Å; L494-L579 HydrophobicContact CD2-CD2 4.04Å; L494-V591 HydrophobicContact CD1-CG1 3.92Å; L494-V591 HydrophobicContact CD1-CG2 4.08Å; L494-W604 HydrophobicContact CB-CZ3 4.23Å; L494-W604 HydrophobicContact CD1-CH2 4.36Å; L494-W604 HydrophobicContact CD1-CZ3 4.34Å
495	V	95.4	Very high	94.1	Very high	6 Å²	6	54 Å²	54	4%	0.036	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	166.1	-174.9	-59.1	0	0	0	0	111	C493 V507 V508 K510 Q519	C493-V495 HydrophobicContact CB-CG1 4.32Å; V495-V507 CarbonylContact O-C 3.54Å; V495-V507 WeakPolarHBondContact O-CA 3.43Å; V495-V507 WeakPolarHBondContact O-CB 3.46Å; V495-V508 HydrophobicContact CG2-CG2 4.14Å; V495-V508 WeakPolarHBondContact CG2-O 3.33Å; V495-V508 PolarHBondContact N-O 3.17Å; V495-V508 PolarHBondContact O-N 3.44Å; V495-K510 HydrophobicContact CG2-CB 3.77Å; V495-K510 HydrophobicContact CG2-CD 3.65Å; V495-K510 HydrophobicContact CG2-CG 3.55Å; V495-Q519 HydrophobicContact CG1-CB 3.91Å; V495-Q519 HydrophobicContact CG1-CG 3.54Å
496	A	95.5	Very high	94	Very high	6 Å²	6	57.2 Å²	57.2	5%	0.05	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	138	168.1	0	0	0	0	0	110.8	G498 P500 K510 L531 L550	A496-G498 VanDerWaalsContact C-N 3.34Å; A496-G498 WeakPolarHBondContact CB-O 3.5Å; A496-P500 HydrophobicContact CB-CG 4.25Å; A496-K510 PolarHBondContact O-NZ 2.78Å; A496-L531 HydrophobicContact CB-CD2 3.79Å; A496-L550 HydrophobicContact CB-CD1 3.76Å
497	Q	93	Very high	94	Very high	114 Å²	114	54.9 Å²	54.9	53%	0.533	29%	0.29	S	S	.	.	S	Bend	trans	-62	-47.2	170.6	-171.2	-179.4	26	0	0	110.3	L506 V508 K510	Q497-L506 HydrophobicContact CB-CB 4.49Å; Q497-L506 WeakPolarHBondContact CB-O 3.14Å; Q497-L506 PolarHBondContact N-O 2.98Å; Q497-V508 HydrophobicContact CB-CG1 4.1Å; Q497-V508 HydrophobicContact CB-CG2 4.16Å; Q497-V508 HydrophobicContact CG-CG1 4.17Å; Q497-V508 HydrophobicContact CG-CG2 4.47Å; Q497-K510 PolarHBondContact O-NZ 3.06Å
498	G	92.1	Very high	94	Very high	44 Å²	44	55.7 Å²	55.7	45%	0.454	30%	0.295	S	S	.	.	S	Bend	trans	-104.4	-132.9	174.5	0	0	0	0	0	112.6	A496	A496-G498 VanDerWaalsContact C-N 3.34Å; A496-G498 WeakPolarHBondContact CB-O 3.5Å
499	R	93.1	Very high	94	Very high	192 Å²	192	53.6 Å²	53.6	73%	0.725	28%	0.284	S	S	*	.			trans	-81.2	138.5	178.2	-62.7	-179.2	-176.6	176	0.9	110.5	S501 Q502	R499-S501 PolarHBondContact O-N 3.14Å; R499-S501 VanDerWaalsContact O-N 3.08Å; R499-Q502 HydrophobicContact CB-CB 4.47Å; R499-Q502 VanDerWaalsContact O-CB 3.24Å; R499-Q502 WeakPolarHBondContact O-CB 3.04Å; R499-Q502 PolarHBondContact O-N 2.94Å
500	P	93.2	Very high	94	Very high	13 Å²	13	53.5 Å²	53.5	8%	0.084	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.1	175.1	-27.2	36	0	0	0	114.9	A496 Q502 N518 L531 N532 L534 L535	A496-P500 HydrophobicContact CB-CG 4.25Å; P500-Q502 VanDerWaalsContact C-N 3.33Å; P500-N518 HydrophobicContact CG-CB 3.66Å; P500-N518 WeakPolarHBondContact CG-OD1 3.45Å; P500-L531 HydrophobicContact CB-CD2 3.99Å; P500-L531 HydrophobicContact CB-CG 4.15Å; P500-L531 HydrophobicContact CG-CD2 4.32Å; P500-N532 HydrophobicContact CB-CB 4.05Å; P500-N532 HydrophobicContact CG-CB 4.46Å; P500-L534 HydrophobicContact CB-CD1 4.39Å; P500-L535 VanDerWaalsContact O-CD1 3.3Å; P500-L535 WeakPolarHBondContact O-CD1 3.1Å; P500-L535 WeakPolarHBondContact O-CG 3.06Å
501	S	93.8	Very high	94.1	Very high	74 Å²	74	55.8 Å²	55.8	52%	0.517	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-4	176.5	67.3	0	0	0	0	114	R499 K503	R499-S501 PolarHBondContact O-N 3.14Å; R499-S501 VanDerWaalsContact O-N 3.08Å; S501-K503 PolarHBondContact O-N 3.35Å
502	Q	95.6	Very high	94.2	Very high	104 Å²	104	52.1 Å²	52.1	49%	0.486	29%	0.287	S	S	.	.			trans	-80.8	106.2	-175.6	-175.6	176.5	-3.2	0	0	110.7	R499 P500 G504 G505	R499-Q502 HydrophobicContact CB-CB 4.47Å; R499-Q502 VanDerWaalsContact O-CB 3.24Å; R499-Q502 WeakPolarHBondContact O-CB 3.04Å; R499-Q502 PolarHBondContact O-N 2.94Å; P500-Q502 VanDerWaalsContact C-N 3.33Å; Q502-G504 PolarHBondContact O-N 3.48Å; Q502-G505 PolarHBondContact O-N 3.09Å
503	K	94.3	Very high	94.2	Very high	135 Å²	135	52.8 Å²	52.8	59%	0.587	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	130.5	173.5	-172.8	-177.4	177.4	-172.9	0	110.4	S501 G505 M551	S501-K503 PolarHBondContact O-N 3.35Å; K503-G505 VanDerWaalsContact C-N 3.25Å; K503-M551 HydrophobicContact CD-CE 4.49Å; K503-M551 HydrophobicContact CD-SD 4.46Å; K503-M551 HydrophobicContact CG-CE 4.31Å; K503-M551 HydrophobicContact CG-SD 3.67Å
504	G	94.1	Very high	94	Very high	39 Å²	39	60.8 Å²	60.8	40%	0.402	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	3.1	-174.4	0	0	0	0	0	114.2	Q502 L550	Q502-G504 PolarHBondContact O-N 3.48Å; G504-L550 PolarHBondContact N-O 3.45Å
505	G	94.1	Very high	93.8	Very high	8 Å²	8	65.5 Å²	65.5	8%	0.082	36%	0.357	C	S	.	.			trans	-65.6	135.8	176.5	0	0	0	0	0	111.4	Q502 K503 R549 L550	Q502-G505 PolarHBondContact O-N 3.09Å; K503-G505 VanDerWaalsContact C-N 3.25Å; G505-R549 CarbonylContact O-C 3.53Å; G505-R549 WeakPolarHBondContact O-CA 3.28Å; G505-L550 PolarHBondContact O-N 2.96Å
506	L	95	Very high	93.7	Very high	66 Å²	66	67.1 Å²	67.1	35%	0.346	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-73.7	158.3	176.6	-58	-177.9	0	0	0	111.3	Q497 P547 R549	Q497-L506 HydrophobicContact CB-CB 4.49Å; Q497-L506 WeakPolarHBondContact CB-O 3.14Å; Q497-L506 PolarHBondContact N-O 2.98Å; L506-P547 HydrophobicContact CD1-CG 4.31Å; L506-P547 HydrophobicContact CD2-CB 4.28Å; L506-P547 HydrophobicContact CD2-CG 3.71Å; L506-R549 HydrophobicContact CD2-CB 4.34Å
507	V	95.2	Very high	93.5	Very high	5 Å²	5	70.4 Å²	70.4	3%	0.03	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	149.7	170	-65.1	0	0	0	0	111.6	L494 V495 W521 L537 P548 L550 V591	L494-V507 HydrophobicContact CD1-CB 4.05Å; L494-V507 HydrophobicContact CD1-CG2 4Å; L494-V507 HydrophobicContact CD2-CG2 4.45Å; L494-V507 HydrophobicContact CG-CB 4.22Å; L494-V507 HydrophobicContact CG-CG2 4.41Å; V495-V507 CarbonylContact O-C 3.54Å; V495-V507 WeakPolarHBondContact O-CA 3.43Å; V495-V507 WeakPolarHBondContact O-CB 3.46Å; V507-W521 HydrophobicContact CG1-CH2 4.19Å; V507-W521 HydrophobicContact CG1-CZ2 4.36Å; V507-L537 HydrophobicContact CB-CD1 4.43Å; V507-L537 HydrophobicContact CG1-CD1 3.88Å; V507-L537 HydrophobicContact CG2-CD1 3.71Å; V507-P548 HydrophobicContact CG2-CB 3.84Å; V507-P548 PolarHBondContact N-O 2.86Å; V507-L550 HydrophobicContact CG1-CD1 4.44Å; V507-L550 HydrophobicContact CG1-CD2 4.04Å; V507-L550 HydrophobicContact CG1-CG 4Å; V507-V591 HydrophobicContact CG2-CG2 3.89Å; V507-V591 WeakPolarHBondContact O-CG2 3.24Å
508	V	94.2	Very high	93.5	Very high	18 Å²	18	67.9 Å²	67.9	11%	0.109	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	167	-177.8	-65	0	0	0	0	110.1	V495 Q497 K510 G589	V495-V508 HydrophobicContact CG2-CG2 4.14Å; V495-V508 WeakPolarHBondContact CG2-O 3.33Å; V495-V508 PolarHBondContact N-O 3.17Å; V495-V508 PolarHBondContact O-N 3.44Å; Q497-V508 HydrophobicContact CB-CG1 4.1Å; Q497-V508 HydrophobicContact CB-CG2 4.16Å; Q497-V508 HydrophobicContact CG-CG1 4.17Å; Q497-V508 HydrophobicContact CG-CG2 4.47Å; V508-K510 HydrophobicContact CG2-CG 4.25Å; V508-G589 CarbonylContact C-O 3.54Å; V508-G589 WeakPolarHBondContact CA-O 3.37Å
509	L	94.2	Very high	93.7	Very high	11 Å²	11	66.2 Å²	66.2	6%	0.058	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.3	171.3	-71.4	173	0	0	0	110.6	H487 K492 C493 A581 G589 V591 W604	H487-L509 HydrophobicContact CB-CD1 4.37Å; H487-L509 HydrophobicContact CB-CD2 4.01Å; K492-L509 HydrophobicContact CB-CB 3.97Å; K492-L509 HydrophobicContact CB-CD2 4.09Å; K492-L509 HydrophobicContact CD-CB 4.2Å; C493-L509 WeakPolarHBondContact O-CA 3.37Å; L509-A581 HydrophobicContact CD1-CB 3.66Å; L509-G589 WeakPolarHBondContact CB-O 3.38Å; L509-G589 PolarHBondContact N-O 3.38Å; L509-V591 HydrophobicContact CD1-CG1 4.12Å; L509-V591 HydrophobicContact CG-CG1 3.82Å; L509-W604 HydrophobicContact CD1-CH2 4.28Å; L509-W604 HydrophobicContact CD2-CH2 3.75Å; L509-W604 HydrophobicContact CD2-CZ3 3.64Å; L509-W604 HydrophobicContact CG-CH2 4.26Å
510	K	92.5	Very high	93.8	Very high	93 Å²	93	58.2 Å²	58.2	40%	0.404	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	167.8	169.8	-65.3	-172.1	-169.3	156.5	0	110.4	K492 C493 V495 A496 Q497 V508 C512	K492-K510 CarbonylContact C-O 3.58Å; K492-K510 VanDerWaalsContact CA-O 3.3Å; K492-K510 WeakPolarHBondContact CA-O 3.09Å; K492-K510 VanDerWaalsContact CB-O 3.25Å; K492-K510 WeakPolarHBondContact CB-O 3.46Å; C493-K510 PolarHBondContact N-O 3.31Å; C493-K510 PolarHBondContact O-N 2.96Å; V495-K510 HydrophobicContact CG2-CB 3.77Å; V495-K510 HydrophobicContact CG2-CD 3.65Å; V495-K510 HydrophobicContact CG2-CG 3.55Å; A496-K510 PolarHBondContact O-NZ 2.78Å; Q497-K510 PolarHBondContact O-NZ 3.06Å; V508-K510 HydrophobicContact CG2-CG 4.25Å; K510-C512 PolarHBondContact O-N 2.04Å
511	A	92.9	Very high	94	Very high	78 Å²	78	57.6 Å²	57.6	65%	0.645	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.9	136.5	171.5	0	0	0	0	0	110	D513 Q519	A511-D513 PolarHBondContact O-N 2.95Å; A511-Q519 PolarHBondContact O-NE2 2.9Å
512	C	93.9	Very high	94.1	Very high	35 Å²	35	54.9 Å²	54.9	24%	0.236	30%	0.304	C	S	.	.			trans	-67	124.7	177.1	-66.1	0	0	0	0	109.9	N491 C493 K510	N491-C512 PolarHBondContact O-SG 2.91Å; C493-C512 HydrophobicContact CB-CB 4.09Å; C493-C512 WeakPolarHBondContact CB-SG 3.22Å; C493-C512 PolarHBondContact N-SG 2.86Å; C493-C512 VanDerWaalsContact SG-CA 3.58Å; C493-C512 WeakPolarHBondContact SG-CB 3.47Å; C493-C512 CovalentContact SG-SG 2.04Å; C493-C512 PolarHBondContact SG-SG 3.18Å; K510-C512 PolarHBondContact O-N 2.04Å
513	D	94	Very high	94.1	Very high	68 Å²	68	50.9 Å²	50.9	36%	0.364	28%	0.284	S	S	.	.			trans	-113.6	114.8	175.2	-175.6	-14.1	0	0	0	109	R484 A511 S515 D516	R484-D513 PolarHBondContact NE-O 3.3Å; R484-D513 PolarHBondContact NH2-O 2.77Å; A511-D513 PolarHBondContact O-N 2.95Å; D513-S515 PolarHBondContact O-N 3.39Å; D513-S515 WeakPolarHBondContact OD1-CA 3.28Å; D513-S515 WeakPolarHBondContact OD1-CB 3.18Å; D513-S515 PolarHBondContact OD1-N 2.95Å; D513-S515 PolarHBondContact OD1-OG 3.49Å; D513-S515 PolarHBondContact OD2-OG 3.31Å; D513-D516 HydrophobicContact CB-CB 3.84Å; D513-D516 PolarHBondContact O-N 2.96Å; D513-D516 PolarHBondContact OD1-N 2.78Å
514	Y	90.6	Very high	94.1	Very high	167 Å²	167	44.7 Å²	44.7	66%	0.655	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.1	-178.3	-73.4	-84.1	0	0	0	113.4	R484 E607	R484-Y514 PolarHBondContact NH2-O 2.99Å; Y514-E607 WeakPolarHBondContact CE1-OE1 3.14Å
515	S	92.7	Very high	93.9	Very high	99 Å²	99	47.1 Å²	47.1	69%	0.692	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-15.1	177.3	71.7	0	0	0	0	114.2	D513 P517	D513-S515 PolarHBondContact O-N 3.39Å; D513-S515 WeakPolarHBondContact OD1-CA 3.28Å; D513-S515 WeakPolarHBondContact OD1-CB 3.18Å; D513-S515 PolarHBondContact OD1-N 2.95Å; D513-S515 PolarHBondContact OD1-OG 3.49Å; D513-S515 PolarHBondContact OD2-OG 3.31Å; S515-P517 VanDerWaalsContact O-CD 3.26Å; S515-P517 WeakPolarHBondContact O-CD 3.42Å
516	D	93	Very high	93.7	Very high	41 Å²	41	49.5 Å²	49.5	22%	0.219	27%	0.267	C	S	.	.			trans	-89.9	109.8	-175.4	-176.4	11.6	0	0	0	112.4	D513 N518 Q519	D513-D516 HydrophobicContact CB-CB 3.84Å; D513-D516 PolarHBondContact O-N 2.96Å; D513-D516 PolarHBondContact OD1-N 2.78Å; D516-N518 PolarHBondContact O-N 2.85Å; D516-N518 WeakPolarHBondContact OD1-CB 3.48Å; D516-N518 PolarHBondContact OD1-N 2.84Å; D516-N518 PolarHBondContact OD1-ND2 3.15Å; D516-Q519 HydrophobicContact CB-CG 4.02Å; D516-Q519 PolarHBondContact O-N 2.91Å; D516-Q519 WeakPolarHBondContact OD2-CG 3.49Å
517	P	91.7	Very high	93.6	Very high	75 Å²	75	49.4 Å²	49.4	49%	0.487	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-67.5	-17.5	176.4	29.5	-35.7	0	0	0	112.8	S515 Q519 I520	S515-P517 VanDerWaalsContact O-CD 3.26Å; S515-P517 WeakPolarHBondContact O-CD 3.42Å; P517-Q519 PolarHBondContact O-N 3.23Å; P517-I520 WeakPolarHBondContact O-CB 3.37Å; P517-I520 PolarHBondContact O-N 2.72Å; P517-I520 VanDerWaalsContact O-N 3.14Å
518	N	93.6	Very high	93.6	Very high	60 Å²	60	49.4 Å²	49.4	32%	0.321	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-72.3	-5.8	178.4	-58.7	-59.4	0	0	0	113.4	P500 D516 L531 N532	P500-N518 HydrophobicContact CG-CB 3.66Å; P500-N518 WeakPolarHBondContact CG-OD1 3.45Å; D516-N518 PolarHBondContact O-N 2.85Å; D516-N518 WeakPolarHBondContact OD1-CB 3.48Å; D516-N518 PolarHBondContact OD1-N 2.84Å; D516-N518 PolarHBondContact OD1-ND2 3.15Å; N518-L531 WeakPolarHBondContact O-CD1 3.17Å; N518-N532 PolarHBondContact OD1-ND2 2.83Å
519	Q	95.1	Very high	93.8	Very high	9 Å²	9	48.6 Å²	48.6	4%	0.042	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-98	-1.1	173.1	-48.1	-162.3	-1.6	0	0	113.1	R484 V495 A511 D516 P517	R484-Q519 HydrophobicContact CG-CB 4.27Å; V495-Q519 HydrophobicContact CG1-CB 3.91Å; V495-Q519 HydrophobicContact CG1-CG 3.54Å; A511-Q519 PolarHBondContact O-NE2 2.9Å; D516-Q519 HydrophobicContact CB-CG 4.02Å; D516-Q519 PolarHBondContact O-N 2.91Å; D516-Q519 WeakPolarHBondContact OD2-CG 3.49Å; P517-Q519 PolarHBondContact O-N 3.23Å
520	I	96.2	Very high	93.9	Very high	24 Å²	24	48.8 Å²	48.8	12%	0.123	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	122.8	-177.4	-58.1	-61.4	0	0	0	110	R482 R484 P517 N532	R482-I520 HydrophobicContact CG-CG2 3.81Å; R484-I520 HydrophobicContact CG-CD1 4.04Å; P517-I520 WeakPolarHBondContact O-CB 3.37Å; P517-I520 PolarHBondContact O-N 2.72Å; P517-I520 VanDerWaalsContact O-N 3.14Å; I520-N532 PolarHBondContact O-N 2.68Å
521	W	97.5	Very high	94.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	146.7	171.1	-66.1	85.5	0	0	0	110.4	R482 G483 L485 L494 V507 L529 V530 L531 L537 L550 L606	R482-W521 WeakPolarHBondContact CA-O 3.08Å; G483-W521 PolarHBondContact N-O 2.88Å; G483-W521 WeakPolarHBondContact O-CA 3.21Å; G483-W521 PolarHBondContact O-N 3.48Å; L485-W521 HydrophobicContact CB-CG 4.07Å; L494-W521 HydrophobicContact CB-CZ2 4.48Å; L494-W521 HydrophobicContact CD2-CH2 4.38Å; L494-W521 HydrophobicContact CD2-CZ2 3.83Å; L494-W521 HydrophobicContact CG-CZ2 4.03Å; L494-W521 PolarHBondContact O-NE1 3.4Å; V507-W521 HydrophobicContact CG1-CH2 4.19Å; V507-W521 HydrophobicContact CG1-CZ2 4.36Å; W521-L529 HydrophobicContact CE3-CB 3.8Å; W521-L529 HydrophobicContact CZ3-CB 4.04Å; W521-L529 WeakPolarHBondContact CZ3-O 3.48Å; W521-V530 CarbonylContact C-O 3.18Å; W521-V530 WeakPolarHBondContact CA-O 3.41Å; W521-L531 HydrophobicContact CD2-CB 4.27Å; W521-L531 HydrophobicContact CD2-CD1 3.89Å; W521-L531 HydrophobicContact CE3-CB 3.9Å; W521-L531 HydrophobicContact CE3-CD1 4.4Å; W521-L531 HydrophobicContact CG-CD1 4.26Å; W521-L531 HydrophobicContact CH2-CB 3.8Å; W521-L531 HydrophobicContact CH2-CD1 4.39Å; W521-L531 HydrophobicContact CH2-CD2 4.31Å; W521-L531 HydrophobicContact CH2-CG 4.38Å; W521-L531 HydrophobicContact CZ2-CB 4.15Å; W521-L531 HydrophobicContact CZ2-CD1 3.85Å; W521-L531 HydrophobicContact CZ2-CD2 4.16Å; W521-L531 HydrophobicContact CZ2-CG 4.26Å; W521-L531 HydrophobicContact CZ3-CB 3.65Å; W521-L537 HydrophobicContact CH2-CB 4.03Å; W521-L537 HydrophobicContact CH2-CD1 4.15Å; W521-L537 HydrophobicContact CH2-CG 4.48Å; W521-L537 HydrophobicContact CZ3-CB 3.77Å; W521-L550 HydrophobicContact CH2-CD2 3.93Å; W521-L550 HydrophobicContact CZ3-CD2 4.36Å; W521-L606 HydrophobicContact CB-CD1 4.05Å
522	I	95.9	Very high	94.2	Very high	17 Å²	17	42.7 Å²	42.7	9%	0.087	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.9	168.5	-69.9	172.4	0	0	0	107.1	V479 R482 L529 V530 S533	V479-I522 HydrophobicContact CB-CG2 4.29Å; V479-I522 HydrophobicContact CG1-CG2 3.85Å; V479-I522 HydrophobicContact CG2-CG2 3.67Å; R482-I522 HydrophobicContact CB-CG1 4.45Å; R482-I522 HydrophobicContact CG-CG1 4.06Å; I522-L529 CarbonylContact O-C 3.14Å; I522-L529 WeakPolarHBondContact O-CA 3.43Å; I522-V530 HydrophobicContact CB-CB 4.21Å; I522-V530 PolarHBondContact N-O 3.4Å; I522-V530 PolarHBondContact O-N 3.31Å; I522-S533 VanDerWaalsContact CD1-OG 3.25Å; I522-S533 WeakPolarHBondContact CD1-OG 3.46Å
523	Y	96.2	Very high	94.1	Very high	20 Å²	20	44.2 Å²	44.2	8%	0.078	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.5	169.4	-176.2	-116.1	0	0	0	109.3	L480 Q481 H527 E528 L529 W562 F564 L606	L480-Y523 HydrophobicContact CB-CD1 4.18Å; L480-Y523 HydrophobicContact CD1-CD1 4.2Å; L480-Y523 HydrophobicContact CD1-CE1 4.03Å; L480-Y523 PolarHBondContact N-O 2.95Å; Q481-Y523 PolarHBondContact N-O 2.8Å; Q481-Y523 VanDerWaalsContact N-O 3.13Å; Q481-Y523 PolarHBondContact O-N 3.35Å; Y523-H527 HydrophobicContact CE2-CB 4.11Å; Y523-H527 AromaticContact CZ-ND1 3.61Å; Y523-H527 PolarHBondContact OH-ND1 2.79Å; Y523-E528 WeakPolarHBondContact CA-O 3.41Å; Y523-L529 HydrophobicContact CD2-CD2 3.96Å; Y523-L529 HydrophobicContact CD2-CG 4.2Å; Y523-L529 HydrophobicContact CG-CD2 4.46Å; Y523-W562 WeakPolarHBondContact CE2-O 3.32Å; Y523-W562 PolarHBondContact OH-O 3.44Å; Y523-F564 HydrophobicContact CD1-CE2 4.37Å; Y523-F564 HydrophobicContact CD2-CE2 4.16Å; Y523-F564 HydrophobicContact CE1-CD2 4.34Å; Y523-F564 HydrophobicContact CE1-CE2 4.37Å; Y523-F564 HydrophobicContact CE2-CD2 4.48Å; Y523-F564 HydrophobicContact CE2-CE2 4.16Å; Y523-F564 HydrophobicContact CG-CE2 4.24Å; Y523-L606 HydrophobicContact CG-CD2 4.37Å
524	N	93.6	Very high	94.1	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.032	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	176.7	-171.1	72.5	6	0	0	0	113.3	P477 K478 L480 E526 H527 E528	P477-N524 HydrophobicContact CB-CB 3.72Å; P477-N524 WeakPolarHBondContact CB-ND2 3.36Å; K478-N524 CarbonylContact O-C 3.51Å; K478-N524 WeakPolarHBondContact O-CA 3.15Å; L480-N524 WeakPolarHBondContact CD1-O 3.35Å; N524-E526 VanDerWaalsContact C-N 3.26Å; N524-E526 PolarHBondContact O-N 3.48Å; N524-E526 PolarHBondContact OD1-N 3.25Å; N524-H527 PolarHBondContact O-N 3.33Å; N524-H527 PolarHBondContact OD1-N 3.19Å; N524-E528 PolarHBondContact N-O 3.31Å; N524-E528 PolarHBondContact ND2-OE2 3.25Å; N524-E528 WeakPolarHBondContact OD1-CB 3.32Å; N524-E528 PolarHBondContact OD1-N 2.89Å
525	E	90.8	Very high	94.4	Very high	89 Å²	89	38 Å²	38	42%	0.416	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-20.6	-176.8	68.5	-173.1	152.8	0	0	114.3	K478 L480 H527	K478-E525 HydrophobicContact CB-CB 4.33Å; K478-E525 VanDerWaalsContact CB-CD 3.46Å; K478-E525 HydrophobicContact CB-CG 4.12Å; K478-E525 WeakPolarHBondContact CB-OE1 3.27Å; K478-E525 PolarHBondContact N-OE1 3.04Å; K478-E525 PolarHBondContact O-N 3.07Å; L480-E525 HydrophobicContact CD2-CB 4.43Å; E525-H527 PolarHBondContact O-N 3.45Å
526	E	89	Confident	94.6	Very high	58 Å²	58	33.2 Å²	33.2	27%	0.271	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	5.4	171.2	-62.3	79.6	177.9	0	0	112.6	P477 N524 E528	P477-E526 WeakPolarHBondContact CB-OE2 3.36Å; P477-E526 WeakPolarHBondContact CG-OE2 3.41Å; N524-E526 VanDerWaalsContact C-N 3.26Å; N524-E526 PolarHBondContact O-N 3.48Å; N524-E526 PolarHBondContact OD1-N 3.25Å; E526-E528 VanDerWaalsContact C-N 3.3Å; E526-E528 HydrophobicContact CB-CG 4.33Å; E526-E528 PolarHBondContact O-N 3.38Å
527	H	93.4	Very high	94.8	Very high	64 Å²	64	31.3 Å²	31.3	30%	0.296	17%	0.168	S	C	.	.			trans	63.7	30.2	178.9	-54.2	-78.4	0	0	0	114	Y523 N524 E525 Q561 W562	Y523-H527 HydrophobicContact CE2-CB 4.11Å; Y523-H527 AromaticContact CZ-ND1 3.61Å; Y523-H527 PolarHBondContact OH-ND1 2.79Å; N524-H527 PolarHBondContact O-N 3.33Å; N524-H527 PolarHBondContact OD1-N 3.19Å; E525-H527 PolarHBondContact O-N 3.45Å; H527-Q561 HydrophobicContact CB-CG 3.86Å; H527-W562 WeakPolarHBondContact CB-O 3.16Å; H527-W562 PolarHBondContact O-N 3.02Å
528	E	95.6	Very high	95	Very high	6 Å²	6	28 Å²	28	3%	0.028	15%	0.146	C	C	.	.			trans	-89.4	145.3	172.9	-56.3	175	134.1	0	0	110.9	Y523 N524 E526 G555 Q560	Y523-E528 WeakPolarHBondContact CA-O 3.41Å; N524-E528 PolarHBondContact N-O 3.31Å; N524-E528 PolarHBondContact ND2-OE2 3.25Å; N524-E528 WeakPolarHBondContact OD1-CB 3.32Å; N524-E528 PolarHBondContact OD1-N 2.89Å; E526-E528 VanDerWaalsContact C-N 3.3Å; E526-E528 HydrophobicContact CB-CG 4.33Å; E526-E528 PolarHBondContact O-N 3.38Å; E528-G555 VanDerWaalsContact OE1-CA 3.24Å; E528-G555 WeakPolarHBondContact OE1-CA 3.31Å; E528-G555 PolarHBondContact OE1-N 2.89Å; E528-Q560 WeakPolarHBondContact CA-O 3.34Å; E528-Q560 HydrophobicContact CG-CB 4.39Å; E528-Q560 PolarHBondContact OE1-OE1 3.37Å
529	L	97.2	Very high	95	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	107.9	170.2	-79	169.8	0	0	0	109.5	L485 W521 I522 Y523 C536 L537 W562 F564 L570 L606	L485-L529 HydrophobicContact CD2-CD1 4.04Å; W521-L529 HydrophobicContact CE3-CB 3.8Å; W521-L529 HydrophobicContact CZ3-CB 4.04Å; W521-L529 WeakPolarHBondContact CZ3-O 3.48Å; I522-L529 CarbonylContact O-C 3.14Å; I522-L529 WeakPolarHBondContact O-CA 3.43Å; Y523-L529 HydrophobicContact CD2-CD2 3.96Å; Y523-L529 HydrophobicContact CD2-CG 4.2Å; Y523-L529 HydrophobicContact CG-CD2 4.46Å; L529-C536 CarbonylContact O-C 3.55Å; L529-C536 VanDerWaalsContact O-CA 3.32Å; L529-C536 WeakPolarHBondContact O-CA 3.45Å; L529-L537 HydrophobicContact CB-CB 4.05Å; L529-L537 HydrophobicContact CD1-CD2 4.03Å; L529-L537 PolarHBondContact O-N 3.45Å; L529-W562 HydrophobicContact CD1-CB 3.9Å; L529-W562 HydrophobicContact CD1-CD2 4.38Å; L529-W562 HydrophobicContact CD1-CG 3.93Å; L529-W562 HydrophobicContact CG-CB 4.27Å; L529-W562 HydrophobicContact CG-CG 4.44Å; L529-F564 HydrophobicContact CD2-CZ 4.46Å; L529-L570 HydrophobicContact CD1-CD1 4.02Å; L529-L570 HydrophobicContact CD1-CD2 3.93Å; L529-L606 HydrophobicContact CD2-CD2 4.44Å
530	V	96.8	Very high	94.5	Very high	15 Å²	15	25.1 Å²	25.1	9%	0.091	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115.8	-176.3	-165	0	0	0	0	110.9	W521 I522 L535	W521-V530 CarbonylContact C-O 3.18Å; W521-V530 WeakPolarHBondContact CA-O 3.41Å; I522-V530 HydrophobicContact CB-CB 4.21Å; I522-V530 PolarHBondContact N-O 3.4Å; I522-V530 PolarHBondContact O-N 3.31Å; V530-L535 CarbonylContact C-O 3.48Å; V530-L535 WeakPolarHBondContact CA-O 3.46Å
531	L	97.2	Very high	93.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	127.8	176.8	-173.7	58.6	0	0	0	111.1	A496 P500 N518 W521 S533 L534 L535 L550	A496-L531 HydrophobicContact CB-CD2 3.79Å; P500-L531 HydrophobicContact CB-CD2 3.99Å; P500-L531 HydrophobicContact CB-CG 4.15Å; P500-L531 HydrophobicContact CG-CD2 4.32Å; N518-L531 WeakPolarHBondContact O-CD1 3.17Å; W521-L531 HydrophobicContact CD2-CB 4.27Å; W521-L531 HydrophobicContact CD2-CD1 3.89Å; W521-L531 HydrophobicContact CE3-CB 3.9Å; W521-L531 HydrophobicContact CE3-CD1 4.4Å; W521-L531 HydrophobicContact CG-CD1 4.26Å; W521-L531 HydrophobicContact CH2-CB 3.8Å; W521-L531 HydrophobicContact CH2-CD1 4.39Å; W521-L531 HydrophobicContact CH2-CD2 4.31Å; W521-L531 HydrophobicContact CH2-CG 4.38Å; W521-L531 HydrophobicContact CZ2-CB 4.15Å; W521-L531 HydrophobicContact CZ2-CD1 3.85Å; W521-L531 HydrophobicContact CZ2-CD2 4.16Å; W521-L531 HydrophobicContact CZ2-CG 4.26Å; W521-L531 HydrophobicContact CZ3-CB 3.65Å; L531-S533 PolarHBondContact O-N 3.09Å; L531-L534 PolarHBondContact O-N 3.14Å; L531-L535 PolarHBondContact N-O 3.17Å; L531-L550 HydrophobicContact CB-CD2 4.05Å; L531-L550 HydrophobicContact CD2-CD1 3.71Å; L531-L550 HydrophobicContact CD2-CD2 4.15Å
532	N	93.6	Very high	91.9	Very high	43 Å²	43	33.4 Å²	33.4	23%	0.23	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	29.9	177.8	-165.9	17.8	0	0	0	113.4	P500 N518 I520 L534	P500-N532 HydrophobicContact CB-CB 4.05Å; P500-N532 HydrophobicContact CG-CB 4.46Å; N518-N532 PolarHBondContact OD1-ND2 2.83Å; I520-N532 PolarHBondContact O-N 2.68Å; N532-L534 HydrophobicContact CB-CD1 4.45Å; N532-L534 WeakPolarHBondContact O-CG 3.49Å; N532-L534 PolarHBondContact O-N 3.45Å
533	S	92.5	Very high	90.8	Very high	68 Å²	68	40.3 Å²	40.3	48%	0.476	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	23.7	-174.2	-43	0	0	0	0	114.9	I522 L531	I522-S533 VanDerWaalsContact CD1-OG 3.25Å; I522-S533 WeakPolarHBondContact CD1-OG 3.46Å; L531-S533 PolarHBondContact O-N 3.09Å
534	L	93.3	Very high	89.8	Confident	89 Å²	89	40.4 Å²	40.4	47%	0.466	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-62.6	-174.7	-69.5	173.6	0	0	0	113.4	P500 L531 N532	P500-L534 HydrophobicContact CB-CD1 4.39Å; L531-L534 PolarHBondContact O-N 3.14Å; N532-L534 HydrophobicContact CB-CD1 4.45Å; N532-L534 WeakPolarHBondContact O-CG 3.49Å; N532-L534 PolarHBondContact O-N 3.45Å
535	L	96.7	Very high	89.2	Confident	14 Å²	14	45.2 Å²	45.2	7%	0.073	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.9	-172.3	-64.1	-174.1	0	0	0	110.6	P500 V530 L531 L550 M551 K552	P500-L535 VanDerWaalsContact O-CD1 3.3Å; P500-L535 WeakPolarHBondContact O-CD1 3.1Å; P500-L535 WeakPolarHBondContact O-CG 3.06Å; V530-L535 CarbonylContact C-O 3.48Å; V530-L535 WeakPolarHBondContact CA-O 3.46Å; L531-L535 PolarHBondContact N-O 3.17Å; L535-L550 HydrophobicContact CB-CB 3.96Å; L535-L550 HydrophobicContact CB-CD2 4.47Å; L535-L550 HydrophobicContact CD1-CB 3.87Å; L535-M551 CarbonylContact C-O 3.56Å; L535-M551 WeakPolarHBondContact CA-O 3.27Å; L535-M551 WeakPolarHBondContact CB-O 3.45Å; L535-M551 WeakPolarHBondContact CD2-O 3.44Å; L535-K552 HydrophobicContact CD2-CG 4.29Å
536	C	97.1	Very high	89	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	144.5	178.6	-78.7	0	0	0	0	111.2	L529 D538 L550 M551 C553 Q560	L529-C536 CarbonylContact O-C 3.55Å; L529-C536 VanDerWaalsContact O-CA 3.32Å; L529-C536 WeakPolarHBondContact O-CA 3.45Å; C536-D538 PolarHBondContact O-N 3.31Å; C536-L550 WeakPolarHBondContact O-CA 3.45Å; C536-M551 PolarHBondContact N-O 2.94Å; C536-M551 PolarHBondContact O-N 3.46Å; C536-C553 HydrophobicContact CB-CB 4.05Å; C536-C553 WeakPolarHBondContact CB-SG 3.49Å; C536-C553 PolarHBondContact N-SG 3.4Å; C536-C553 VanDerWaalsContact SG-CA 3.51Å; C536-C553 WeakPolarHBondContact SG-CB 3.48Å; C536-C553 CovalentContact SG-SG 2.04Å; C536-C553 PolarHBondContact SG-SG 2.94Å; C536-Q560 HydrophobicContact CB-CG 4.32Å
537	L	97.5	Very high	89.2	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	126.3	165.9	-171.7	65.2	0	0	0	109.1	L494 V507 W521 L529 P548 W562	L494-L537 HydrophobicContact CD2-CD2 4.21Å; V507-L537 HydrophobicContact CB-CD1 4.43Å; V507-L537 HydrophobicContact CG1-CD1 3.88Å; V507-L537 HydrophobicContact CG2-CD1 3.71Å; W521-L537 HydrophobicContact CH2-CB 4.03Å; W521-L537 HydrophobicContact CH2-CD1 4.15Å; W521-L537 HydrophobicContact CH2-CG 4.48Å; W521-L537 HydrophobicContact CZ3-CB 3.77Å; L529-L537 HydrophobicContact CB-CB 4.05Å; L529-L537 HydrophobicContact CD1-CD2 4.03Å; L529-L537 PolarHBondContact O-N 3.45Å; L537-P548 HydrophobicContact CD1-CB 3.85Å; L537-W562 HydrophobicContact CB-CZ2 4.34Å; L537-W562 HydrophobicContact CD2-CD2 3.99Å; L537-W562 HydrophobicContact CD2-CE3 4.28Å; L537-W562 HydrophobicContact CD2-CH2 3.85Å; L537-W562 HydrophobicContact CD2-CZ2 3.56Å; L537-W562 HydrophobicContact CD2-CZ3 4.19Å; L537-W562 HydrophobicContact CG-CH2 4.14Å; L537-W562 HydrophobicContact CG-CZ2 3.46Å; L537-W562 VanDerWaalsContact CG-CZ2 3.46Å; L537-W562 PolarHBondContact O-NE1 3.49Å
538	D	95.5	Very high	89.2	Confident	7 Å²	7	39.9 Å²	39.9	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146.8	-167.2	-178.1	84.7	0	0	0	110.4	C536 R549 M551 Q560	C536-D538 PolarHBondContact O-N 3.31Å; D538-R549 HydrophobicContact CB-CG 4.25Å; D538-R549 PolarHBondContact N-O 3.23Å; D538-R549 PolarHBondContact O-N 3.48Å; D538-R549 IonicContact OD2-CZ 2.66Å; D538-R549 IonicContact OD2-NE 3.18Å; D538-R549 PolarHBondContact OD2-NE 3.43Å; D538-R549 IonicContact OD2-NH2 3.78Å; D538-R549 PolarHBondContact OD2-NH2 3.32Å; D538-M551 HydrophobicContact CB-CB 3.74Å; D538-M551 HydrophobicContact CB-CG 3.72Å; D538-M551 WeakPolarHBondContact OD2-CG 3.47Å; D538-Q560 HydrophobicContact CB-CG 4.09Å; D538-Q560 WeakPolarHBondContact OD1-CG 3.4Å; D538-Q560 PolarHBondContact OD1-NE2 2.99Å; D538-Q560 VanDerWaalsContact OD1-NE2 3.17Å
539	M	93.6	Very high	89.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.233	C	C	.	.			trans	-114.1	148.4	169.4	-77.2	-61	-62.3	0	0	112	E541 D546 P548 S559 W562 Q572 V575 M593	M539-E541 PolarHBondContact O-N 3.34Å; M539-D546 WeakPolarHBondContact CE-O 3.3Å; M539-P548 HydrophobicContact SD-CB 3.9Å; M539-P548 HydrophobicContact SD-CG 3.77Å; M539-S559 PolarHBondContact N-O 3.44Å; M539-S559 VanDerWaalsContact O-CB 3.29Å; M539-S559 WeakPolarHBondContact O-CB 3.4Å; M539-W562 HydrophobicContact CG-CH2 3.94Å; M539-W562 HydrophobicContact CG-CZ2 3.92Å; M539-W562 HydrophobicContact SD-CH2 4.5Å; M539-Q572 HydrophobicContact CB-CG 4.33Å; M539-Q572 HydrophobicContact CG-CG 3.71Å; M539-V575 HydrophobicContact CB-CG2 3.74Å; M539-V575 HydrophobicContact CE-CG2 4.08Å; M539-V575 HydrophobicContact CG-CG2 4.07Å; M539-M593 HydrophobicContact CE-CB 4.3Å; M539-M593 HydrophobicContact CE-CG 3.33Å; M539-M593 HydrophobicContact CG-CG 4.46Å; M539-M593 HydrophobicContact SD-CG 3.56Å; M539-M593 VanDerWaalsContact SD-CG 3.56Å; M539-M593 HydrophobicContact SD-SD 4.07Å
540	S	85.1	Confident	89.2	Confident	8 Å²	8	42.7 Å²	42.7	6%	0.056	23%	0.233	C	C	.	.			trans	-69.3	117.5	171.8	-156.5	0	0	0	0	110.5	T542 D546 R549	S540-T542 PolarHBondContact O-N 2.9Å; S540-T542 PolarHBondContact OG-OG1 2.9Å; S540-D546 WeakPolarHBondContact CB-OD2 3.47Å; S540-D546 PolarHBondContact OG-OD2 3.13Å; S540-R549 PolarHBondContact OG-NH1 3.46Å
541	E	71.4	Confident	89.2	Confident	73 Å²	73	44 Å²	44	34%	0.341	24%	0.238	S	C	.	.	S	Bend	trans	-68.6	-24.3	179.3	-59.7	-173.7	160.5	0	0	113	K382 M539 S559	K382-E541 WeakPolarHBondContact CD-OE2 3.35Å; K382-E541 VanDerWaalsContact CE-OE2 3.28Å; K382-E541 WeakPolarHBondContact CE-OE2 3.41Å; K382-E541 IonicContact NZ-OE1 3.68Å; K382-E541 PolarHBondContact NZ-OE1 3.41Å; K382-E541 IonicContact NZ-OE2 3.3Å; K382-E541 PolarHBondContact NZ-OE2 3.08Å; M539-E541 PolarHBondContact O-N 3.34Å; E541-S559 WeakPolarHBondContact OE1-CB 3.45Å; E541-S559 PolarHBondContact OE1-OG 3.1Å
542	T	67.1	Low	89.1	Confident	125 Å²	125	51 Å²	51	77%	0.767	27%	0.269	S	S	*	.	S	Bend	trans	-88.6	-23	-175.2	54.5	0	0	0	0	113.4	S540	S540-T542 PolarHBondContact O-N 2.9Å; S540-T542 PolarHBondContact OG-OG1 2.9Å
543	R	73.6	Confident	89	Confident	162 Å²	162	51.5 Å²	51.5	61%	0.611	28%	0.275	S	S	*	.			trans	-141.4	99.1	-174.5	-69.3	-177.4	173.2	-166	-3.7	109.6	S545 D546	R543-S545 PolarHBondContact O-N 3.42Å; R543-S545 VanDerWaalsContact O-N 3.15Å; R543-D546 HydrophobicContact CB-CB 4.37Å; R543-D546 WeakPolarHBondContact CB-OD2 3.45Å; R543-D546 WeakPolarHBondContact O-CB 3.25Å; R543-D546 PolarHBondContact O-N 3.42Å; R543-D546 VanDerWaalsContact O-N 3.07Å
544	S	74.7	Confident	88.8	Confident	22 Å²	22	52.4 Å²	52.4	15%	0.154	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.4	176.1	45.8	0	0	0	0	113.2
545	S	81.5	Confident	88.3	Confident	106 Å²	106	50.1 Å²	50.1	74%	0.741	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-10.3	177.5	56.3	0	0	0	0	115	R543	R543-S545 PolarHBondContact O-N 3.42Å; R543-S545 VanDerWaalsContact O-N 3.15Å
546	D	87.8	Confident	87.5	Confident	42 Å²	42	53.9 Å²	53.9	23%	0.225	30%	0.297	C	S	.	.	S	Bend	trans	-67.3	141.5	177	-73.6	-10.5	0	0	0	110	M539 S540 R543	M539-D546 WeakPolarHBondContact CE-O 3.3Å; S540-D546 WeakPolarHBondContact CB-OD2 3.47Å; S540-D546 PolarHBondContact OG-OD2 3.13Å; R543-D546 HydrophobicContact CB-CB 4.37Å; R543-D546 WeakPolarHBondContact CB-OD2 3.45Å; R543-D546 WeakPolarHBondContact O-CB 3.25Å; R543-D546 PolarHBondContact O-N 3.42Å; R543-D546 VanDerWaalsContact O-N 3.07Å
547	P	91.2	Very high	87	Confident	58 Å²	58	54.5 Å²	54.5	38%	0.377	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-68.7	153.6	176.8	28.1	-34.8	0	0	0	112	L506	L506-P547 HydrophobicContact CD1-CG 4.31Å; L506-P547 HydrophobicContact CD2-CB 4.28Å; L506-P547 HydrophobicContact CD2-CG 3.71Å
548	P	95.2	Very high	86.4	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-59.5	141.6	175.3	-18.2	28.2	0	0	0	112.3	V507 L537 M539 L579 V591 M593	V507-P548 HydrophobicContact CG2-CB 3.84Å; V507-P548 PolarHBondContact N-O 2.86Å; L537-P548 HydrophobicContact CD1-CB 3.85Å; M539-P548 HydrophobicContact SD-CB 3.9Å; M539-P548 HydrophobicContact SD-CG 3.77Å; P548-L579 HydrophobicContact CG-CD1 3.62Å; P548-V591 HydrophobicContact CG-CG2 4.49Å; P548-M593 HydrophobicContact CG-CG 4.31Å; P548-M593 HydrophobicContact CG-SD 3.97Å
549	R	95.3	Very high	86.2	Confident	65 Å²	65	54.7 Å²	54.7	25%	0.245	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	168.2	-173.6	64.4	-179.7	-178.6	-140.9	-3.2	112.1	G505 L506 D538 S540 M551	G505-R549 CarbonylContact O-C 3.53Å; G505-R549 WeakPolarHBondContact O-CA 3.28Å; L506-R549 HydrophobicContact CD2-CB 4.34Å; D538-R549 HydrophobicContact CB-CG 4.25Å; D538-R549 PolarHBondContact N-O 3.23Å; D538-R549 PolarHBondContact O-N 3.48Å; D538-R549 IonicContact OD2-CZ 2.66Å; D538-R549 IonicContact OD2-NE 3.18Å; D538-R549 PolarHBondContact OD2-NE 3.43Å; D538-R549 IonicContact OD2-NH2 3.78Å; D538-R549 PolarHBondContact OD2-NH2 3.32Å; S540-R549 PolarHBondContact OG-NH1 3.46Å; R549-M551 HydrophobicContact CG-CG 4.11Å
550	L	97.2	Very high	86.2	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125	175.9	-65.2	173.2	0	0	0	111.3	A496 G504 G505 V507 W521 L531 L535 C536	A496-L550 HydrophobicContact CB-CD1 3.76Å; G504-L550 PolarHBondContact N-O 3.45Å; G505-L550 PolarHBondContact O-N 2.96Å; V507-L550 HydrophobicContact CG1-CD1 4.44Å; V507-L550 HydrophobicContact CG1-CD2 4.04Å; V507-L550 HydrophobicContact CG1-CG 4Å; W521-L550 HydrophobicContact CH2-CD2 3.93Å; W521-L550 HydrophobicContact CZ3-CD2 4.36Å; L531-L550 HydrophobicContact CB-CD2 4.05Å; L531-L550 HydrophobicContact CD2-CD1 3.71Å; L531-L550 HydrophobicContact CD2-CD2 4.15Å; L535-L550 HydrophobicContact CB-CB 3.96Å; L535-L550 HydrophobicContact CB-CD2 4.47Å; L535-L550 HydrophobicContact CD1-CB 3.87Å; C536-L550 WeakPolarHBondContact O-CA 3.45Å
551	M	96.2	Very high	86.6	Confident	42 Å²	42	56.4 Å²	56.4	21%	0.207	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	169.2	179.4	-68.2	-64.8	-79.1	0	0	111.7	K503 L535 C536 D538 R549 C553	K503-M551 HydrophobicContact CD-CE 4.49Å; K503-M551 HydrophobicContact CD-SD 4.46Å; K503-M551 HydrophobicContact CG-CE 4.31Å; K503-M551 HydrophobicContact CG-SD 3.67Å; L535-M551 CarbonylContact C-O 3.56Å; L535-M551 WeakPolarHBondContact CA-O 3.27Å; L535-M551 WeakPolarHBondContact CB-O 3.45Å; L535-M551 WeakPolarHBondContact CD2-O 3.44Å; C536-M551 PolarHBondContact N-O 2.94Å; C536-M551 PolarHBondContact O-N 3.46Å; D538-M551 HydrophobicContact CB-CB 3.74Å; D538-M551 HydrophobicContact CB-CG 3.72Å; D538-M551 WeakPolarHBondContact OD2-CG 3.47Å; R549-M551 HydrophobicContact CG-CG 4.11Å; M551-C553 PolarHBondContact O-N 3.33Å
552	K	94.7	Very high	87.7	Confident	147 Å²	147	52.9 Å²	52.9	64%	0.639	30%	0.297	S	S	*	.			trans	-64.1	131.6	173.2	-74.9	-170	174.6	-173.4	0	108.8	L535 Q560	L535-K552 HydrophobicContact CD2-CG 4.29Å; K552-Q560 PolarHBondContact O-NE2 3Å
553	C	92.4	Very high	88.9	Confident	53 Å²	53	47.7 Å²	47.7	36%	0.358	27%	0.265	S	S	.	.			trans	-61.1	135	173.5	-57.4	0	0	0	0	110.3	C536 M551 Q560	C536-C553 HydrophobicContact CB-CB 4.05Å; C536-C553 WeakPolarHBondContact CB-SG 3.49Å; C536-C553 PolarHBondContact N-SG 3.4Å; C536-C553 VanDerWaalsContact SG-CA 3.51Å; C536-C553 WeakPolarHBondContact SG-CB 3.48Å; C536-C553 CovalentContact SG-SG 2.04Å; C536-C553 PolarHBondContact SG-SG 2.94Å; M551-C553 PolarHBondContact O-N 3.33Å; C553-Q560 VanDerWaalsContact CA-OE1 3.29Å
554	H	87.7	Confident	89.8	Confident	87 Å²	87	43.1 Å²	43.1	40%	0.403	25%	0.249	S	C	.	.			trans	-127.9	-6.7	-178.8	57	71.6	0	0	0	114.5	S556 Q560	H554-S556 PolarHBondContact CE1-OG 3.21Å; H554-S556 PolarHBondContact ND1-N 3.44Å; H554-S556 PolarHBondContact ND1-OG 3.17Å; H554-S556 PolarHBondContact O-N 3.47Å; H554-S556 VanDerWaalsContact O-N 3.1Å; H554-Q560 PolarHBondContact CD2-NE2 3.24Å; H554-Q560 PolarHBondContact CD2-OE1 3.25Å; H554-Q560 VanDerWaalsContact N-OE1 3.09Å; H554-Q560 WeakPolarHBondContact NE2-CG 3.16Å; H554-Q560 PolarHBondContact NE2-NE2 2.91Å; H554-Q560 PolarHBondContact NE2-OE1 3.16Å
555	G	83.8	Confident	90.2	Very high	41 Å²	41	42.9 Å²	42.9	42%	0.423	25%	0.25	S	S	.	.	S	Bend	trans	65.4	14.1	170	0	0	0	0	0	115.3	E528	E528-G555 VanDerWaalsContact OE1-CA 3.24Å; E528-G555 WeakPolarHBondContact OE1-CA 3.31Å; E528-G555 PolarHBondContact OE1-N 2.89Å
556	S	79.9	Confident	90.4	Very high	94 Å²	94	44.9 Å²	44.9	66%	0.657	25%	0.246	S	C	*	.	S	Bend	trans	-101.8	8.4	-176.6	72.8	0	0	0	0	113.6	H554	H554-S556 PolarHBondContact CE1-OG 3.21Å; H554-S556 PolarHBondContact ND1-N 3.44Å; H554-S556 PolarHBondContact ND1-OG 3.17Å; H554-S556 PolarHBondContact O-N 3.47Å; H554-S556 VanDerWaalsContact O-N 3.1Å
557	G	84.9	Confident	90.4	Very high	12 Å²	12	47.7 Å²	47.7	12%	0.124	26%	0.261	C	S	.	.			trans	62.9	-155.5	-174.1	0	0	0	0	0	113.3	S559	G557-S559 PolarHBondContact O-N 3.18Å
558	G	86.2	Confident	90.4	Very high	5 Å²	5	48.8 Å²	48.8	5%	0.052	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	70.6	-108.8	179.7	0	0	0	0	0	112.7	Q560 Q561 Q572 S574	G558-Q560 PolarHBondContact O-N 2.87Å; G558-Q561 PolarHBondContact O-N 3.38Å; G558-Q561 VanDerWaalsContact O-N 3.15Å; G558-Q572 PolarHBondContact O-NE2 3.36Å; G558-Q572 VanDerWaalsContact O-NE2 3.09Å; G558-S574 PolarHBondContact O-OG 3.37Å
559	S	91.1	Very high	90.4	Very high	7 Å²	7	50.2 Å²	50.2	5%	0.049	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-60.6	-25.1	-178	31.8	0	0	0	0	114.6	M539 E541 G557 Q572 S574	M539-S559 PolarHBondContact N-O 3.44Å; M539-S559 VanDerWaalsContact O-CB 3.29Å; M539-S559 WeakPolarHBondContact O-CB 3.4Å; E541-S559 WeakPolarHBondContact OE1-CB 3.45Å; E541-S559 PolarHBondContact OE1-OG 3.1Å; G557-S559 PolarHBondContact O-N 3.18Å; S559-Q572 VanDerWaalsContact C-NE2 3.28Å; S559-Q572 VanDerWaalsContact CA-NE2 3.33Å; S559-Q572 PolarHBondContact O-NE2 3.25Å; S559-S574 WeakPolarHBondContact CA-OG 3.37Å; S559-S574 PolarHBondContact N-OG 3.36Å
560	Q	94	Very high	90.4	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-108.3	7.9	178.5	-64.8	-176.2	-5.2	0	0	113.5	E528 C536 D538 K552 C553 H554 G558 W562	E528-Q560 WeakPolarHBondContact CA-O 3.34Å; E528-Q560 HydrophobicContact CG-CB 4.39Å; E528-Q560 PolarHBondContact OE1-OE1 3.37Å; C536-Q560 HydrophobicContact CB-CG 4.32Å; D538-Q560 HydrophobicContact CB-CG 4.09Å; D538-Q560 WeakPolarHBondContact OD1-CG 3.4Å; D538-Q560 PolarHBondContact OD1-NE2 2.99Å; D538-Q560 VanDerWaalsContact OD1-NE2 3.17Å; K552-Q560 PolarHBondContact O-NE2 3Å; C553-Q560 VanDerWaalsContact CA-OE1 3.29Å; H554-Q560 PolarHBondContact CD2-NE2 3.24Å; H554-Q560 PolarHBondContact CD2-OE1 3.25Å; H554-Q560 VanDerWaalsContact N-OE1 3.09Å; H554-Q560 WeakPolarHBondContact NE2-CG 3.16Å; H554-Q560 PolarHBondContact NE2-NE2 2.91Å; H554-Q560 PolarHBondContact NE2-OE1 3.16Å; G558-Q560 PolarHBondContact O-N 2.87Å; Q560-W562 VanDerWaalsContact O-CD1 3.24Å
561	Q	93.2	Very high	90.2	Very high	42 Å²	42	47.1 Å²	47.1	20%	0.196	26%	0.257	C	S	.	.			trans	-92.1	118.4	179.7	-161.3	178.2	-7.9	0	0	110.7	H527 G558 V573	H527-Q561 HydrophobicContact CB-CG 3.86Å; G558-Q561 PolarHBondContact O-N 3.38Å; G558-Q561 VanDerWaalsContact O-N 3.15Å; Q561-V573 HydrophobicContact CB-CB 4.22Å; Q561-V573 HydrophobicContact CB-CG2 4.01Å; Q561-V573 HydrophobicContact CG-CB 4.4Å; Q561-V573 HydrophobicContact CG-CG2 3.8Å; Q561-V573 PolarHBondContact O-N 2.95Å
562	W	94.4	Very high	90.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.8	-178.8	-62.4	87.4	0	0	0	110.1	Y523 H527 L529 L537 M539 Q560 L570 Y571 Q572 L579 M593	Y523-W562 WeakPolarHBondContact CE2-O 3.32Å; Y523-W562 PolarHBondContact OH-O 3.44Å; H527-W562 WeakPolarHBondContact CB-O 3.16Å; H527-W562 PolarHBondContact O-N 3.02Å; L529-W562 HydrophobicContact CD1-CB 3.9Å; L529-W562 HydrophobicContact CD1-CD2 4.38Å; L529-W562 HydrophobicContact CD1-CG 3.93Å; L529-W562 HydrophobicContact CG-CB 4.27Å; L529-W562 HydrophobicContact CG-CG 4.44Å; L537-W562 HydrophobicContact CB-CZ2 4.34Å; L537-W562 HydrophobicContact CD2-CD2 3.99Å; L537-W562 HydrophobicContact CD2-CE3 4.28Å; L537-W562 HydrophobicContact CD2-CH2 3.85Å; L537-W562 HydrophobicContact CD2-CZ2 3.56Å; L537-W562 HydrophobicContact CD2-CZ3 4.19Å; L537-W562 HydrophobicContact CG-CH2 4.14Å; L537-W562 HydrophobicContact CG-CZ2 3.46Å; L537-W562 VanDerWaalsContact CG-CZ2 3.46Å; L537-W562 PolarHBondContact O-NE1 3.49Å; M539-W562 HydrophobicContact CG-CH2 3.94Å; M539-W562 HydrophobicContact CG-CZ2 3.92Å; M539-W562 HydrophobicContact SD-CH2 4.5Å; Q560-W562 VanDerWaalsContact O-CD1 3.24Å; W562-L570 HydrophobicContact CB-CD1 4.14Å; W562-L570 HydrophobicContact CE3-CD1 4.3Å; W562-L570 HydrophobicContact CE3-CD2 4.35Å; W562-L570 HydrophobicContact CE3-CG 3.92Å; W562-L570 HydrophobicContact CZ3-CG 4.46Å; W562-Y571 CarbonylContact C-O 3.6Å; W562-Y571 WeakPolarHBondContact CA-O 3.36Å; W562-Q572 HydrophobicContact CD2-CB 4.31Å; W562-Q572 HydrophobicContact CD2-CG 3.9Å; W562-Q572 HydrophobicContact CE3-CB 3.75Å; W562-Q572 HydrophobicContact CE3-CG 3.82Å; W562-Q572 HydrophobicContact CH2-CB 3.84Å; W562-Q572 HydrophobicContact CH2-CG 3.51Å; W562-Q572 HydrophobicContact CZ2-CB 4.34Å; W562-Q572 HydrophobicContact CZ2-CG 3.53Å; W562-Q572 HydrophobicContact CZ3-CB 3.52Å; W562-Q572 HydrophobicContact CZ3-CG 3.66Å; W562-L579 HydrophobicContact CZ3-CB 4.45Å; W562-M593 HydrophobicContact CH2-CE 4.42Å; W562-M593 HydrophobicContact CH2-SD 3.99Å; W562-M593 HydrophobicContact CZ3-CE 4.19Å; W562-M593 HydrophobicContact CZ3-SD 4.14Å
563	T	93	Very high	89.9	Confident	15 Å²	15	38.5 Å²	38.5	9%	0.092	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.9	179.9	13	0	0	0	0	110.6	G565 Y571 V573	T563-G565 PolarHBondContact O-N 2.91Å; T563-Y571 PolarHBondContact N-O 2.84Å; T563-Y571 WeakPolarHBondContact O-CB 3.43Å; T563-Y571 PolarHBondContact O-N 3.46Å; T563-Y571 WeakPolarHBondContact OG1-CD1 3.38Å; T563-V573 WeakPolarHBondContact OG1-CG2 3.35Å
564	F	91	Very high	89.7	Confident	66 Å²	66	36 Å²	36	29%	0.289	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	103.5	169.9	-64.6	-85.6	0	0	0	107.9	L485 Y523 L529 R569 L570 L606	L485-F564 HydrophobicContact CD1-CE1 3.97Å; L485-F564 HydrophobicContact CD1-CZ 4.15Å; Y523-F564 HydrophobicContact CD1-CE2 4.37Å; Y523-F564 HydrophobicContact CD2-CE2 4.16Å; Y523-F564 HydrophobicContact CE1-CD2 4.34Å; Y523-F564 HydrophobicContact CE1-CE2 4.37Å; Y523-F564 HydrophobicContact CE2-CD2 4.48Å; Y523-F564 HydrophobicContact CE2-CE2 4.16Å; Y523-F564 HydrophobicContact CG-CE2 4.24Å; L529-F564 HydrophobicContact CD2-CZ 4.46Å; F564-R569 CarbonylContact C-O 3.51Å; F564-R569 WeakPolarHBondContact CA-O 3.47Å; F564-L570 HydrophobicContact CD1-CD1 4.08Å; F564-L570 HydrophobicContact CE1-CD1 3.81Å; F564-L570 HydrophobicContact CE2-CD1 4.38Å; F564-L570 HydrophobicContact CG-CD1 4.49Å; F564-L570 HydrophobicContact CZ-CD1 3.96Å; F564-L606 HydrophobicContact CE1-CB 4.16Å; F564-L606 HydrophobicContact CE2-CD2 4.23Å; F564-L606 HydrophobicContact CZ-CB 3.76Å; F564-L606 HydrophobicContact CZ-CD2 4.07Å
565	G	84.4	Confident	89.8	Confident	17 Å²	17	31.9 Å²	31.9	18%	0.175	18%	0.183	C	C	.	.			trans	-86.8	-174.2	-179.4	0	0	0	0	0	112.8	T563 N568 R569	T563-G565 PolarHBondContact O-N 2.91Å; G565-N568 PolarHBondContact O-N 3.35Å; G565-R569 PolarHBondContact N-O 3.43Å
566	K	85.8	Confident	90.2	Very high	149 Å²	149	30 Å²	30	65%	0.648	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-56.6	152.2	173.6	-66.3	177.3	-176.6	170.8	0	111.1	E97 N568 R569	E97-K566 PolarHBondContact OE1-N 3.3Å; K566-N568 PolarHBondContact O-N 2.89Å; K566-R569 WeakPolarHBondContact O-CD 3.34Å; K566-R569 VanDerWaalsContact O-CG 3.27Å; K566-R569 WeakPolarHBondContact O-CG 3.2Å; K566-R569 PolarHBondContact O-N 2.9Å
567	N	86.6	Confident	90.8	Very high	100 Å²	100	26.4 Å²	26.4	54%	0.535	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	57.6	31.9	-177.9	-55.8	-21.7	0	0	0	113.9	R569 Q603	N567-R569 PolarHBondContact O-N 3.42Å; N567-R569 VanDerWaalsContact O-N 3.17Å; N567-Q603 WeakPolarHBondContact O-CG 3.49Å
568	N	92.3	Very high	91.3	Very high	82 Å²	82	25.8 Å²	25.8	44%	0.439	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	58.2	28.3	178.5	-60	-37.5	0	0	0	113.6	L488 G565 K566 Q603 W604	L488-N568 HydrophobicContact CD1-CB 3.98Å; G565-N568 PolarHBondContact O-N 3.35Å; K566-N568 PolarHBondContact O-N 2.89Å; N568-Q603 HydrophobicContact CB-CB 4.45Å; N568-Q603 WeakPolarHBondContact O-CA 3.25Å; N568-W604 WeakPolarHBondContact CB-O 3.31Å; N568-W604 PolarHBondContact O-N 3.2Å
569	R	93.9	Very high	91.8	Very high	29 Å²	29	25.6 Å²	25.6	11%	0.109	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-72.7	134.2	175.7	-63.7	170.8	-167.9	-174.8	-4.9	109.4	F564 G565 K566 N567 Y571 D597 Q602	F564-R569 CarbonylContact C-O 3.51Å; F564-R569 WeakPolarHBondContact CA-O 3.47Å; G565-R569 PolarHBondContact N-O 3.43Å; K566-R569 WeakPolarHBondContact O-CD 3.34Å; K566-R569 VanDerWaalsContact O-CG 3.27Å; K566-R569 WeakPolarHBondContact O-CG 3.2Å; K566-R569 PolarHBondContact O-N 2.9Å; N567-R569 PolarHBondContact O-N 3.42Å; N567-R569 VanDerWaalsContact O-N 3.17Å; R569-Y571 PolarHBondContact O-N 3.41Å; R569-D597 PolarHBondContact NH2-O 2.96Å; R569-Q602 WeakPolarHBondContact CA-O 3.04Å
570	L	95.3	Very high	91.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	99	168.1	-175.6	58.2	0	0	0	109	L485 L529 W562 F564 C578 L579 W604	L485-L570 HydrophobicContact CD1-CD2 4.43Å; L485-L570 HydrophobicContact CD2-CD2 3.74Å; L529-L570 HydrophobicContact CD1-CD1 4.02Å; L529-L570 HydrophobicContact CD1-CD2 3.93Å; W562-L570 HydrophobicContact CB-CD1 4.14Å; W562-L570 HydrophobicContact CE3-CD1 4.3Å; W562-L570 HydrophobicContact CE3-CD2 4.35Å; W562-L570 HydrophobicContact CE3-CG 3.92Å; W562-L570 HydrophobicContact CZ3-CG 4.46Å; F564-L570 HydrophobicContact CD1-CD1 4.08Å; F564-L570 HydrophobicContact CE1-CD1 3.81Å; F564-L570 HydrophobicContact CE2-CD1 4.38Å; F564-L570 HydrophobicContact CG-CD1 4.49Å; F564-L570 HydrophobicContact CZ-CD1 3.96Å; L570-C578 WeakPolarHBondContact O-CA 3.33Å; L570-L579 HydrophobicContact CB-CB 4.21Å; L570-L579 HydrophobicContact CD2-CB 4.41Å; L570-L579 HydrophobicContact CD2-CD2 3.81Å; L570-L579 HydrophobicContact CG-CB 4.45Å; L570-L579 PolarHBondContact O-N 3.05Å; L570-W604 HydrophobicContact CB-CB 4.09Å; L570-W604 HydrophobicContact CB-CG 3.91Å
571	Y	94.4	Very high	92	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135.8	-174	169.5	-115.8	0	0	0	111.3	S96 G99 M100 W562 T563 R569 V573 G576 Q577	S96-Y571 WeakPolarHBondContact O-CE1 3.18Å; G99-Y571 WeakPolarHBondContact CA-OH 3.47Å; G99-Y571 PolarHBondContact O-OH 2.95Å; M100-Y571 HydrophobicContact CB-CD2 4.49Å; M100-Y571 HydrophobicContact CB-CE2 3.93Å; M100-Y571 HydrophobicContact CE-CD1 4.35Å; M100-Y571 HydrophobicContact CE-CD2 3.88Å; M100-Y571 HydrophobicContact CE-CE2 4.38Å; M100-Y571 HydrophobicContact CE-CG 3.86Å; M100-Y571 HydrophobicContact CG-CD2 4.17Å; M100-Y571 HydrophobicContact CG-CE2 4.03Å; M100-Y571 PolarHBondContact N-OH 3.08Å; W562-Y571 CarbonylContact C-O 3.6Å; W562-Y571 WeakPolarHBondContact CA-O 3.36Å; T563-Y571 PolarHBondContact N-O 2.84Å; T563-Y571 WeakPolarHBondContact O-CB 3.43Å; T563-Y571 PolarHBondContact O-N 3.46Å; T563-Y571 WeakPolarHBondContact OG1-CD1 3.38Å; R569-Y571 PolarHBondContact O-N 3.41Å; Y571-V573 HydrophobicContact CD1-CG2 4.2Å; Y571-V573 HydrophobicContact CE1-CB 4.17Å; Y571-V573 HydrophobicContact CE1-CG1 4.28Å; Y571-V573 HydrophobicContact CE1-CG2 3.87Å; Y571-G576 VanDerWaalsContact CE2-C 3.44Å; Y571-Q577 WeakPolarHBondContact CD2-O 3.46Å
572	Q	94	Very high	91.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.5	174.8	-156.3	-75.3	-8.2	0	0	109.7	M539 G558 S559 W562 S574 G576 Q577 M593	M539-Q572 HydrophobicContact CB-CG 4.33Å; M539-Q572 HydrophobicContact CG-CG 3.71Å; G558-Q572 PolarHBondContact O-NE2 3.36Å; G558-Q572 VanDerWaalsContact O-NE2 3.09Å; S559-Q572 VanDerWaalsContact C-NE2 3.28Å; S559-Q572 VanDerWaalsContact CA-NE2 3.33Å; S559-Q572 PolarHBondContact O-NE2 3.25Å; W562-Q572 HydrophobicContact CD2-CB 4.31Å; W562-Q572 HydrophobicContact CD2-CG 3.9Å; W562-Q572 HydrophobicContact CE3-CB 3.75Å; W562-Q572 HydrophobicContact CE3-CG 3.82Å; W562-Q572 HydrophobicContact CH2-CB 3.84Å; W562-Q572 HydrophobicContact CH2-CG 3.51Å; W562-Q572 HydrophobicContact CZ2-CB 4.34Å; W562-Q572 HydrophobicContact CZ2-CG 3.53Å; W562-Q572 HydrophobicContact CZ3-CB 3.52Å; W562-Q572 HydrophobicContact CZ3-CG 3.66Å; Q572-S574 PolarHBondContact NE2-OG 2.91Å; Q572-S574 PolarHBondContact OE1-OG 3.45Å; Q572-G576 PolarHBondContact O-N 2.96Å; Q572-Q577 PolarHBondContact N-O 2.88Å; Q572-M593 HydrophobicContact CB-CE 3.55Å
573	V	90.5	Very high	91.2	Very high	8 Å²	8	35.5 Å²	35.5	5%	0.048	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-39.3	-164.3	-168.7	0	0	0	0	113.9	T281 Q561 T563 Y571	T281-V573 HydrophobicContact CG2-CB 4.42Å; T281-V573 HydrophobicContact CG2-CG1 3.45Å; T281-V573 VanDerWaalsContact CG2-CG1 3.45Å; Q561-V573 HydrophobicContact CB-CB 4.22Å; Q561-V573 HydrophobicContact CB-CG2 4.01Å; Q561-V573 HydrophobicContact CG-CB 4.4Å; Q561-V573 HydrophobicContact CG-CG2 3.8Å; Q561-V573 PolarHBondContact O-N 2.95Å; T563-V573 WeakPolarHBondContact OG1-CG2 3.35Å; Y571-V573 HydrophobicContact CD1-CG2 4.2Å; Y571-V573 HydrophobicContact CE1-CB 4.17Å; Y571-V573 HydrophobicContact CE1-CG1 4.28Å; Y571-V573 HydrophobicContact CE1-CG2 3.87Å
574	S	87.2	Confident	90	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-29.2	-177.8	65.3	0	0	0	0	114.2	R110 G558 S559 Q572	R110-S574 PolarHBondContact NE-O 3.34Å; R110-S574 PolarHBondContact NH2-O 2.87Å; G558-S574 PolarHBondContact O-OG 3.37Å; S559-S574 WeakPolarHBondContact CA-OG 3.37Å; S559-S574 PolarHBondContact N-OG 3.36Å; Q572-S574 PolarHBondContact NE2-OG 2.91Å; Q572-S574 PolarHBondContact OE1-OG 3.45Å
575	V	89.7	Confident	88.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-25.8	179.5	-175.2	0	0	0	0	110.9	I101 R110 M539 Q577	I101-V575 VanDerWaalsContact CD1-O 3.31Å; I101-V575 WeakPolarHBondContact CD1-O 3.08Å; R110-V575 VanDerWaalsContact CD-O 3.32Å; R110-V575 WeakPolarHBondContact CD-O 3.42Å; R110-V575 PolarHBondContact NE-O 3.46Å; M539-V575 HydrophobicContact CB-CG2 3.74Å; M539-V575 HydrophobicContact CE-CG2 4.08Å; M539-V575 HydrophobicContact CG-CG2 4.07Å; V575-Q577 HydrophobicContact CG1-CB 4Å; V575-Q577 HydrophobicContact CG1-CG 3.96Å; V575-Q577 PolarHBondContact O-N 3.28Å
576	G	91.6	Very high	88.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	9.4	-179.2	0	0	0	0	0	113.3	G99 I101 Y571 Q572	G99-G576 WeakPolarHBondContact O-CA 3.09Å; I101-G576 VanDerWaalsContact CB-O 3.27Å; I101-G576 WeakPolarHBondContact CB-O 3.34Å; I101-G576 WeakPolarHBondContact CG1-O 3.5Å; I101-G576 PolarHBondContact N-O 3.46Å; Y571-G576 VanDerWaalsContact CE2-C 3.44Å; Q572-G576 PolarHBondContact O-N 2.96Å
577	Q	93.7	Very high	87.3	Confident	19 Å²	19	42.8 Å²	42.8	9%	0.089	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	166.6	-174.5	-71.3	-175.5	-23.7	0	0	111.7	I101 Y571 Q572 V575 M593 A594	I101-Q577 HydrophobicContact CD1-CG 4.05Å; Y571-Q577 WeakPolarHBondContact CD2-O 3.46Å; Q572-Q577 PolarHBondContact N-O 2.88Å; V575-Q577 HydrophobicContact CG1-CB 4Å; V575-Q577 HydrophobicContact CG1-CG 3.96Å; V575-Q577 PolarHBondContact O-N 3.28Å; Q577-M593 VanDerWaalsContact C-CE 3.43Å; Q577-M593 HydrophobicContact CB-CB 3.98Å; Q577-M593 HydrophobicContact CB-CE 3.85Å; Q577-M593 WeakPolarHBondContact O-CE 3.5Å; Q577-A594 VanDerWaalsContact CB-O 3.32Å; Q577-A594 WeakPolarHBondContact CB-O 3.46Å
578	C	95	Very high	86.6	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	144.6	178.6	-69.2	0	0	0	0	110.6	L570 R580 A594 C596	L570-C578 WeakPolarHBondContact O-CA 3.33Å; C578-R580 PolarHBondContact O-N 3.05Å; C578-A594 PolarHBondContact N-O 2.78Å; C578-A594 PolarHBondContact O-N 3.1Å; C578-C596 HydrophobicContact CB-CB 4.03Å; C578-C596 WeakPolarHBondContact CB-SG 3.28Å; C578-C596 PolarHBondContact N-SG 3.38Å; C578-C596 WeakPolarHBondContact SG-CB 3.28Å; C578-C596 CovalentContact SG-SG 2.04Å; C578-C596 PolarHBondContact SG-SG 3.48Å
579	L	95.8	Very high	86.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	130	174.6	-171.8	67.8	0	0	0	109.5	L494 P548 W562 L570 V591 M593 Q602 W604	L494-L579 HydrophobicContact CD1-CD2 4.43Å; L494-L579 HydrophobicContact CD2-CD2 4.04Å; P548-L579 HydrophobicContact CG-CD1 3.62Å; W562-L579 HydrophobicContact CZ3-CB 4.45Å; L570-L579 HydrophobicContact CB-CB 4.21Å; L570-L579 HydrophobicContact CD2-CB 4.41Å; L570-L579 HydrophobicContact CD2-CD2 3.81Å; L570-L579 HydrophobicContact CG-CB 4.45Å; L570-L579 PolarHBondContact O-N 3.05Å; L579-V591 HydrophobicContact CD1-CB 4.04Å; L579-V591 HydrophobicContact CD1-CG2 4.18Å; L579-M593 HydrophobicContact CB-SD 4.36Å; L579-M593 HydrophobicContact CD1-SD 3.91Å; L579-Q602 WeakPolarHBondContact O-CA 3.4Å; L579-W604 HydrophobicContact CB-CZ2 4.36Å; L579-W604 HydrophobicContact CD2-CD2 4.14Å; L579-W604 HydrophobicContact CD2-CE3 4.39Å; L579-W604 HydrophobicContact CD2-CH2 3.84Å; L579-W604 HydrophobicContact CD2-CZ2 3.56Å; L579-W604 HydrophobicContact CD2-CZ3 4.23Å; L579-W604 HydrophobicContact CG-CH2 4.28Å; L579-W604 HydrophobicContact CG-CZ2 3.61Å; L579-W604 PolarHBondContact O-NE1 2.83Å
580	R	95.1	Very high	86	Confident	103 Å²	103	43.8 Å²	43.8	39%	0.389	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.1	-179.1	-179.6	174.3	179	166.2	0.9	111	C578 V582 V591 A592 A594 S601 Q602	C578-R580 PolarHBondContact O-N 3.05Å; R580-V582 PolarHBondContact O-N 3.27Å; R580-V591 VanDerWaalsContact O-CA 3.28Å; R580-V591 WeakPolarHBondContact O-CA 3.41Å; R580-A592 PolarHBondContact N-O 2.93Å; R580-A592 PolarHBondContact O-N 2.95Å; R580-A594 HydrophobicContact CB-CB 3.94Å; R580-A594 HydrophobicContact CG-CB 4.48Å; R580-S601 WeakPolarHBondContact CA-O 3.44Å; R580-S601 PolarHBondContact NE-OG 2.81Å; R580-Q602 HydrophobicContact CB-CG 4.04Å; R580-Q602 HydrophobicContact CG-CG 4.23Å
581	A	94.3	Very high	85.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	118.3	164	0	0	0	0	0	109.7	H487 L509 P584 S601	H487-A581 WeakPolarHBondContact NE2-CB 3.31Å; L509-A581 HydrophobicContact CD1-CB 3.66Å; A581-P584 HydrophobicContact CB-CB 4.25Å; A581-S601 PolarHBondContact N-O 2.91Å
582	V	90.2	Very high	85.9	Confident	58 Å²	58	45.8 Å²	45.8	35%	0.352	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	122.1	176.4	179	0	0	0	0	108.1	R580 S590 A592	R580-V582 PolarHBondContact O-N 3.27Å; V582-S590 WeakPolarHBondContact CB-OG 3.39Å; V582-S590 PolarHBondContact N-O 3.29Å; V582-S590 PolarHBondContact O-OG 2.96Å; V582-A592 HydrophobicContact CG2-CB 3.47Å; V582-A592 VanDerWaalsContact CG2-CB 3.47Å
583	D	82.5	Confident	85.9	Confident	98 Å²	98	46.9 Å²	46.9	52%	0.524	24%	0.241	S	C	.	.	S	Bend	trans	52.2	68.8	-173.3	-173.1	15.8	0	0	0	111.4	L585 G586	D583-L585 PolarHBondContact O-N 3.06Å; D583-L585 VanDerWaalsContact O-N 3.1Å; D583-G586 VanDerWaalsContact CG-CA 3.49Å; D583-G586 WeakPolarHBondContact O-CA 3.21Å; D583-G586 PolarHBondContact O-N 3.28Å; D583-G586 PolarHBondContact OD1-N 2.95Å; D583-G586 VanDerWaalsContact OD1-N 3.1Å; D583-G586 WeakPolarHBondContact OD2-CA 3.44Å
584	P	66	Low	86.1	Confident	31 Å²	31	47.2 Å²	47.2	20%	0.201	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.5	-174.2	20.5	-30.9	0	0	0	113.1	T490 A581	T490-P584 HydrophobicContact CG2-CB 3.48Å; T490-P584 VanDerWaalsContact CG2-CB 3.48Å; T490-P584 WeakPolarHBondContact CG2-O 3.44Å; A581-P584 HydrophobicContact CB-CB 4.25Å
585	L	68.4	Low	86.4	Confident	159 Å²	159	49.6 Å²	49.6	83%	0.832	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-14.9	177.3	-61.4	173.3	0	0	0	112.7	D583	D583-L585 PolarHBondContact O-N 3.06Å; D583-L585 VanDerWaalsContact O-N 3.1Å
586	G	69.6	Low	86.6	Confident	11 Å²	11	49.8 Å²	49.8	11%	0.113	26%	0.258	C	S	.	.	S	Bend	trans	-69.7	154.8	177.7	0	0	0	0	0	114.3	K492 D583 K588	K492-G586 PolarHBondContact NZ-O 2.82Å; D583-G586 VanDerWaalsContact CG-CA 3.49Å; D583-G586 WeakPolarHBondContact O-CA 3.21Å; D583-G586 PolarHBondContact O-N 3.28Å; D583-G586 PolarHBondContact OD1-N 2.95Å; D583-G586 VanDerWaalsContact OD1-N 3.1Å; D583-G586 WeakPolarHBondContact OD2-CA 3.44Å; G586-K588 VanDerWaalsContact C-N 3.34Å
587	Q	67.3	Low	86.7	Confident	198 Å²	198	53.7 Å²	53.7	93%	0.925	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-24	177	-72.7	-171.3	-13.7	0	0	113.3	G589	Q587-G589 VanDerWaalsContact C-N 3.31Å; Q587-G589 PolarHBondContact O-N 2.95Å
588	K	73	Confident	86.4	Confident	188 Å²	188	53.3 Å²	53.3	82%	0.817	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-24.3	-173	-69.8	-175.5	179.8	177.4	0	113.9	G586 S590	G586-K588 VanDerWaalsContact C-N 3.34Å; K588-S590 PolarHBondContact O-N 3.49Å
589	G	82.2	Confident	86.3	Confident	4 Å²	4	55.1 Å²	55.1	4%	0.041	29%	0.293	C	S	.	.			trans	57.9	32.2	177.4	0	0	0	0	0	113.7	V508 L509 Q587	V508-G589 CarbonylContact C-O 3.54Å; V508-G589 WeakPolarHBondContact CA-O 3.37Å; L509-G589 WeakPolarHBondContact CB-O 3.38Å; L509-G589 PolarHBondContact N-O 3.38Å; Q587-G589 VanDerWaalsContact C-N 3.31Å; Q587-G589 PolarHBondContact O-N 2.95Å
590	S	90.5	Very high	86.2	Confident	41 Å²	41	57.7 Å²	57.7	29%	0.287	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	149.7	178.9	36.4	0	0	0	0	111.9	V582 K588	V582-S590 WeakPolarHBondContact CB-OG 3.39Å; V582-S590 PolarHBondContact N-O 3.29Å; V582-S590 PolarHBondContact O-OG 2.96Å; K588-S590 PolarHBondContact O-N 3.49Å
591	V	94.1	Very high	86.1	Confident	10 Å²	10	53.2 Å²	53.2	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150.7	170.3	-60.4	0	0	0	0	109.8	L494 V507 L509 P548 L579 R580 W604	L494-V591 HydrophobicContact CD1-CG1 3.92Å; L494-V591 HydrophobicContact CD1-CG2 4.08Å; V507-V591 HydrophobicContact CG2-CG2 3.89Å; V507-V591 WeakPolarHBondContact O-CG2 3.24Å; L509-V591 HydrophobicContact CD1-CG1 4.12Å; L509-V591 HydrophobicContact CG-CG1 3.82Å; P548-V591 HydrophobicContact CG-CG2 4.49Å; L579-V591 HydrophobicContact CD1-CB 4.04Å; L579-V591 HydrophobicContact CD1-CG2 4.18Å; R580-V591 VanDerWaalsContact O-CA 3.28Å; R580-V591 WeakPolarHBondContact O-CA 3.41Å; V591-W604 HydrophobicContact CG1-CH2 3.85Å; V591-W604 HydrophobicContact CG1-CZ2 4.39Å
592	A	93.6	Very high	86.1	Confident	32 Å²	32	53.2 Å²	53.2	26%	0.264	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	167.5	177.3	0	0	0	0	0	110.1	R580 V582	R580-A592 PolarHBondContact N-O 2.93Å; R580-A592 PolarHBondContact O-N 2.95Å; V582-A592 HydrophobicContact CG2-CB 3.47Å; V582-A592 VanDerWaalsContact CG2-CB 3.47Å
593	M	94	Very high	86.4	Confident	23 Å²	23	53.2 Å²	53.2	11%	0.113	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	140.7	169.4	-59.9	-53	-62.9	0	0	110	M539 P548 W562 Q572 Q577 L579	M539-M593 HydrophobicContact CE-CB 4.3Å; M539-M593 HydrophobicContact CE-CG 3.33Å; M539-M593 HydrophobicContact CG-CG 4.46Å; M539-M593 HydrophobicContact SD-CG 3.56Å; M539-M593 VanDerWaalsContact SD-CG 3.56Å; M539-M593 HydrophobicContact SD-SD 4.07Å; P548-M593 HydrophobicContact CG-CG 4.31Å; P548-M593 HydrophobicContact CG-SD 3.97Å; W562-M593 HydrophobicContact CH2-CE 4.42Å; W562-M593 HydrophobicContact CH2-SD 3.99Å; W562-M593 HydrophobicContact CZ3-CE 4.19Å; W562-M593 HydrophobicContact CZ3-SD 4.14Å; Q572-M593 HydrophobicContact CB-CE 3.55Å; Q577-M593 VanDerWaalsContact C-CE 3.43Å; Q577-M593 HydrophobicContact CB-CB 3.98Å; Q577-M593 HydrophobicContact CB-CE 3.85Å; Q577-M593 WeakPolarHBondContact O-CE 3.5Å; L579-M593 HydrophobicContact CB-SD 4.36Å; L579-M593 HydrophobicContact CD1-SD 3.91Å
594	A	93.5	Very high	87	Confident	16 Å²	16	48.6 Å²	48.6	13%	0.132	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	160.2	179.9	0	0	0	0	0	111.5	Q577 C578 R580 C596	Q577-A594 VanDerWaalsContact CB-O 3.32Å; Q577-A594 WeakPolarHBondContact CB-O 3.46Å; C578-A594 PolarHBondContact N-O 2.78Å; C578-A594 PolarHBondContact O-N 3.1Å; R580-A594 HydrophobicContact CB-CB 3.94Å; R580-A594 HydrophobicContact CG-CB 4.48Å; A594-C596 PolarHBondContact O-N 2.88Å
595	I	94.3	Very high	88.5	Confident	51 Å²	51	50.6 Å²	50.6	26%	0.262	27%	0.273	S	S	.	.			trans	-51.3	133.1	170.5	-64.5	178	0	0	0	109.1	I101 F102 E104 D597 Q602	I101-I595 HydrophobicContact CG2-CG1 3.96Å; I101-I595 HydrophobicContact CG2-CG2 4.36Å; I101-I595 WeakPolarHBondContact O-CG2 3.5Å; F102-I595 WeakPolarHBondContact O-CG2 3.39Å; E104-I595 HydrophobicContact CG-CD1 4.07Å; I595-D597 PolarHBondContact O-N 3.39Å; I595-D597 VanDerWaalsContact O-N 3.14Å; I595-Q602 PolarHBondContact O-NE2 3.43Å
596	C	94.2	Very high	89.8	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.02	24%	0.235	C	C	.	.			trans	-75.3	104.6	-172.9	-69.3	0	0	0	0	111	M100 I101 C578 A594	M100-C596 HydrophobicContact CG-CB 3.56Å; M100-C596 WeakPolarHBondContact CG-SG 3.25Å; M100-C596 HydrophobicContact SD-CB 3.57Å; M100-C596 VanDerWaalsContact SD-CB 3.57Å; I101-C596 PolarHBondContact O-N 3.18Å; C578-C596 HydrophobicContact CB-CB 4.03Å; C578-C596 WeakPolarHBondContact CB-SG 3.28Å; C578-C596 PolarHBondContact N-SG 3.38Å; C578-C596 WeakPolarHBondContact SG-CB 3.28Å; C578-C596 CovalentContact SG-SG 2.04Å; C578-C596 PolarHBondContact SG-SG 3.48Å; A594-C596 PolarHBondContact O-N 2.88Å
597	D	92.7	Very high	90.8	Very high	83 Å²	83	44.5 Å²	44.5	44%	0.444	24%	0.238	S	C	.	.			trans	-111.8	-19.8	-179.7	64.7	10.7	0	0	0	112.6	R569 I595 S599 Q602	R569-D597 PolarHBondContact NH2-O 2.96Å; I595-D597 PolarHBondContact O-N 3.39Å; I595-D597 VanDerWaalsContact O-N 3.14Å; D597-S599 PolarHBondContact O-N 2.92Å; D597-S599 WeakPolarHBondContact OD1-CB 3.06Å; D597-S599 PolarHBondContact OD1-N 2.84Å; D597-S599 PolarHBondContact OD1-OG 3.28Å; D597-S599 PolarHBondContact OD2-OG 3.43Å; D597-Q602 PolarHBondContact OD1-NE2 2.56Å; D597-Q602 PolarHBondContact OD1-OE1 2.94Å; D597-Q602 VanDerWaalsContact OD1-OE1 3.09Å
598	G	87.4	Confident	91	Very high	11 Å²	11	40.5 Å²	40.5	11%	0.113	25%	0.25	C	C	.	.			trans	71.7	16	-176.2	0	0	0	0	0	114.3	Q603	G598-Q603 PolarHBondContact O-NE2 2.83Å
599	S	93.3	Very high	92	Very high	37 Å²	37	33.1 Å²	33.1	26%	0.259	22%	0.221	S	C	.	.			trans	-54.5	157.6	167.6	63	0	0	0	0	110.7	D597 S601 Q602 Q603	D597-S599 PolarHBondContact O-N 2.92Å; D597-S599 WeakPolarHBondContact OD1-CB 3.06Å; D597-S599 PolarHBondContact OD1-N 2.84Å; D597-S599 PolarHBondContact OD1-OG 3.28Å; D597-S599 PolarHBondContact OD2-OG 3.43Å; S599-S601 PolarHBondContact O-N 3.39Å; S599-S601 PolarHBondContact OG-OG 2.82Å; S599-Q602 PolarHBondContact O-N 3.33Å; S599-Q603 WeakPolarHBondContact O-CG 3.49Å
600	S	93.1	Very high	92.5	Very high	55 Å²	55	34.6 Å²	34.6	39%	0.385	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-53.5	-29.5	176.7	54.8	0	0	0	0	113.2	H487 Q489 Q602 Q603	H487-S600 PolarHBondContact NE2-O 2.85Å; Q489-S600 PolarHBondContact NE2-OG 2.82Å; S600-Q602 PolarHBondContact O-N 3.49Å; S600-Q603 PolarHBondContact O-N 3.46Å
601	S	93.7	Very high	92.6	Very high	8 Å²	8	34.3 Å²	34.3	6%	0.056	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-69.1	-10.7	177.2	73.2	0	0	0	0	114.8	H487 R580 A581 S599	H487-S601 VanDerWaalsContact NE2-C 3.32Å; H487-S601 WeakPolarHBondContact NE2-CA 3.26Å; H487-S601 PolarHBondContact NE2-O 2.85Å; R580-S601 WeakPolarHBondContact CA-O 3.44Å; R580-S601 PolarHBondContact NE-OG 2.81Å; A581-S601 PolarHBondContact N-O 2.91Å; S599-S601 PolarHBondContact O-N 3.39Å; S599-S601 PolarHBondContact OG-OG 2.82Å
602	Q	95.2	Very high	92.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-113.1	9.8	179.1	-65	-172	-7.2	0	0	112.9	R569 L579 R580 I595 D597 S599 S600	R569-Q602 WeakPolarHBondContact CA-O 3.04Å; L579-Q602 WeakPolarHBondContact O-CA 3.4Å; R580-Q602 HydrophobicContact CB-CG 4.04Å; R580-Q602 HydrophobicContact CG-CG 4.23Å; I595-Q602 PolarHBondContact O-NE2 3.43Å; D597-Q602 PolarHBondContact OD1-NE2 2.56Å; D597-Q602 PolarHBondContact OD1-OE1 2.94Å; D597-Q602 VanDerWaalsContact OD1-OE1 3.09Å; S599-Q602 PolarHBondContact O-N 3.33Å; S600-Q602 PolarHBondContact O-N 3.49Å
603	Q	95.8	Very high	92.4	Very high	59 Å²	59	35.9 Å²	35.9	28%	0.276	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-96.4	120.7	-176	-61.8	-172.2	-2.1	0	0	110.8	H487 L488 N567 N568 G598 S599 S600	H487-Q603 PolarHBondContact CD2-O 2.79Å; L488-Q603 HydrophobicContact CB-CB 4.06Å; L488-Q603 HydrophobicContact CD1-CB 3.8Å; L488-Q603 HydrophobicContact CG-CB 4.4Å; L488-Q603 PolarHBondContact N-O 3.3Å; N567-Q603 WeakPolarHBondContact O-CG 3.49Å; N568-Q603 HydrophobicContact CB-CB 4.45Å; N568-Q603 WeakPolarHBondContact O-CA 3.25Å; G598-Q603 PolarHBondContact O-NE2 2.83Å; S599-Q603 WeakPolarHBondContact O-CG 3.49Å; S600-Q603 PolarHBondContact O-N 3.46Å
604	W	96	Very high	92.3	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.4	-174.1	-58.8	89	0	0	0	110.9	L485 Y486 H487 L494 L509 N568 L570 L579 V591	L485-W604 HydrophobicContact CD1-CB 4.17Å; L485-W604 HydrophobicContact CG-CE3 4.43Å; Y486-W604 WeakPolarHBondContact O-CA 3.3Å; H487-W604 HydrophobicContact CB-CE3 3.93Å; H487-W604 HydrophobicContact CB-CH2 4.04Å; H487-W604 HydrophobicContact CB-CZ3 3.71Å; H487-W604 AromaticContact CD2-CZ2 3.99Å; L494-W604 HydrophobicContact CB-CZ3 4.23Å; L494-W604 HydrophobicContact CD1-CH2 4.36Å; L494-W604 HydrophobicContact CD1-CZ3 4.34Å; L509-W604 HydrophobicContact CD1-CH2 4.28Å; L509-W604 HydrophobicContact CD2-CH2 3.75Å; L509-W604 HydrophobicContact CD2-CZ3 3.64Å; L509-W604 HydrophobicContact CG-CH2 4.26Å; N568-W604 WeakPolarHBondContact CB-O 3.31Å; N568-W604 PolarHBondContact O-N 3.2Å; L570-W604 HydrophobicContact CB-CB 4.09Å; L570-W604 HydrophobicContact CB-CG 3.91Å; L579-W604 HydrophobicContact CB-CZ2 4.36Å; L579-W604 HydrophobicContact CD2-CD2 4.14Å; L579-W604 HydrophobicContact CD2-CE3 4.39Å; L579-W604 HydrophobicContact CD2-CH2 3.84Å; L579-W604 HydrophobicContact CD2-CZ2 3.56Å; L579-W604 HydrophobicContact CD2-CZ3 4.23Å; L579-W604 HydrophobicContact CG-CH2 4.28Å; L579-W604 HydrophobicContact CG-CZ2 3.61Å; L579-W604 PolarHBondContact O-NE1 2.83Å; V591-W604 HydrophobicContact CG1-CH2 3.85Å; V591-W604 HydrophobicContact CG1-CZ2 4.39Å
605	H	95.9	Very high	92.2	Very high	72 Å²	72	38.3 Å²	38.3	33%	0.333	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.8	174	-172.2	80.5	0	0	0	110.1	L485 Y486 L488	L485-H605 CarbonylContact C-O 3.59Å; L485-H605 WeakPolarHBondContact CA-O 3.34Å; Y486-H605 WeakPolarHBondContact CD1-O 3.48Å; Y486-H605 HydrophobicContact CD2-CB 4.39Å; Y486-H605 HydrophobicContact CE1-CB 4.13Å; Y486-H605 AromaticContact CE1-CD2 3.5Å; Y486-H605 HydrophobicContact CE2-CB 3.89Å; Y486-H605 AromaticContact CZ-CD2 3.37Å; Y486-H605 AromaticContact CZ-CG 3.85Å; Y486-H605 PolarHBondContact N-O 2.89Å; Y486-H605 PolarHBondContact O-N 3.35Å; Y486-H605 PolarHBondContact OH-CD2 2.88Å; L488-H605 HydrophobicContact CD2-CB 3.97Å; L488-H605 HydrophobicContact CG-CB 4.24Å
606	L	95.3	Very high	92.1	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.2	169.2	-177.7	62.2	0	0	0	107.7	Q481 G483 R484 L485 W521 Y523 L529 F564	Q481-L606 HydrophobicContact CB-CD2 3.97Å; Q481-L606 HydrophobicContact CG-CD2 3.95Å; Q481-L606 HydrophobicContact CG-CG 4.14Å; Q481-L606 PolarHBondContact NE2-O 2.78Å; G483-L606 WeakPolarHBondContact O-CD1 3.3Å; R484-L606 WeakPolarHBondContact O-CA 3.12Å; L485-L606 HydrophobicContact CB-CD1 4.09Å; L485-L606 HydrophobicContact CD1-CB 4.2Å; W521-L606 HydrophobicContact CB-CD1 4.05Å; Y523-L606 HydrophobicContact CG-CD2 4.37Å; L529-L606 HydrophobicContact CD2-CD2 4.44Å; F564-L606 HydrophobicContact CE1-CB 4.16Å; F564-L606 HydrophobicContact CE2-CD2 4.23Å; F564-L606 HydrophobicContact CZ-CB 3.76Å; F564-L606 HydrophobicContact CZ-CD2 4.07Å
607	E	91.4	Very high	91.9	Very high	38 Å²	38	40.2 Å²	40.2	18%	0.178	27%	0.27	C	S	.	.			trans	-55.9	138.6	173.9	-68.1	174.5	160.5	0	0	110.5	Q481 R484 Y486 Y514	Q481-E607 VanDerWaalsContact CG-O 3.32Å; Q481-E607 WeakPolarHBondContact CG-O 3.27Å; Q481-E607 PolarHBondContact NE2-O 3.46Å; R484-E607 HydrophobicContact CB-CG 4.28Å; R484-E607 WeakPolarHBondContact CB-OE2 3.5Å; R484-E607 WeakPolarHBondContact CG-OE2 3.02Å; R484-E607 PolarHBondContact N-OE2 3.34Å; R484-E607 IonicContact NH1-OE2 3.79Å; R484-E607 PolarHBondContact NH1-OE2 3.42Å; R484-E607 PolarHBondContact O-N 3.19Å; Y486-E607 HydrophobicContact CD1-CG 4.16Å; Y486-E607 HydrophobicContact CE1-CG 3.74Å; Y514-E607 WeakPolarHBondContact CE1-OE1 3.14Å
608	G	72.7	Confident	91.8	Very high	114 Å²	114	36.3 Å²	36.3	100%	1.175	25%	0.254	S	S	*	.			trans	-100.3	0	-176.4	0	0	0	0	0	114.2

Retrieved 608 of 608 residues in 350.4 ms (Link to these results)

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