A0A090N7X6_HUMAN Loading...

Polypeptide N-acetylgalactosaminyltransferase

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 (Q8NCW6), UniProt , Accession A0A090N7X6, Species HUMAN (Homo sapiens, Human), Gene GALNT11, Length 608 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	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 244.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).