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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 , UniProt , Accession A0A096MQK0, Species PAPAN (Papio anubis, Olive baboon), Gene GALNT11, Length 608 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.8	Low	70.9	Confident	236 Å²	236	122 Å²	122	100%	1.163	63%	0.629	S	S	*	*				0	18.4	0	-74.2	174.1	174.8	0	0	114.2
2	G	55.5	Low	71.8	Confident	53 Å²	53	114.8 Å²	114.8	55%	0.546	61%	0.606	S	S	.	*			trans	-98.1	-15.9	-174.9	0	0	0	0	0	117.4	V6	G2-V6 WeakPolarHBondContact O-CG2 3.36Å
3	S	63.6	Low	72.6	Confident	81 Å²	81	110.5 Å²	110.5	57%	0.566	59%	0.59	S	S	*	*	H	α-helix	trans	-83.3	-29.6	-170.3	-176.2	0	0	0	0	114.1	R7	S3-R7 WeakPolarHBondContact O-CG 3.23Å; S3-R7 PolarHBondContact O-N 2.88Å
4	V	69.3	Low	73.4	Confident	93 Å²	93	111 Å²	111	56%	0.564	59%	0.592	S	S	*	*	H	α-helix	trans	-79.6	-42.3	-175.4	179	0	0	0	0	111.3	V6 R7 Y8	V4-V6 PolarHBondContact O-N 2.98Å; V4-R7 PolarHBondContact O-N 3.44Å; V4-Y8 HydrophobicContact CG1-CD2 3.71Å; V4-Y8 HydrophobicContact CG1-CE2 3.38Å; V4-Y8 WeakPolarHBondContact O-CD2 3.37Å; V4-Y8 PolarHBondContact O-N 2.88Å; V4-Y8 VanDerWaalsContact O-N 3.11Å
5	T	71.5	Confident	74.4	Confident	98 Å²	98	113.5 Å²	113.5	60%	0.601	60%	0.596	S	S	*	*	H	α-helix	trans	-65.5	-37.6	-179.9	-38.4	0	0	0	0	112.3	Y8 F9	T5-Y8 PolarHBondContact O-N 3.32Å; T5-F9 WeakPolarHBondContact O-CB 3.5Å; T5-F9 PolarHBondContact O-N 2.94Å
6	V	73.3	Confident	74.8	Confident	90 Å²	90	111.2 Å²	111.2	55%	0.545	59%	0.588	S	S	.	*	H	α-helix	trans	-67.2	-38.2	176	175	0	0	0	0	111.1	G2 V4 F9 C10	G2-V6 WeakPolarHBondContact O-CG2 3.36Å; V4-V6 PolarHBondContact O-N 2.98Å; V6-F9 PolarHBondContact O-N 3.43Å; V6-C10 WeakPolarHBondContact O-CB 3.31Å; V6-C10 PolarHBondContact O-N 3.36Å; V6-C10 PolarHBondContact O-SG 2.95Å
7	R	75.1	Confident	75.3	Confident	161 Å²	161	108.8 Å²	108.8	61%	0.608	58%	0.583	S	S	*	*	H	α-helix	trans	-63	-45.4	175.1	-78.3	-179.7	175.9	-174.3	-0.9	112	S3 V4 F9 C10 Y11	S3-R7 WeakPolarHBondContact O-CG 3.23Å; S3-R7 PolarHBondContact O-N 2.88Å; V4-R7 PolarHBondContact O-N 3.44Å; R7-F9 VanDerWaalsContact C-N 3.35Å; R7-C10 PolarHBondContact O-N 3.48Å; R7-Y11 HydrophobicContact CB-CE2 4.24Å; R7-Y11 WeakPolarHBondContact O-CD2 3.33Å; R7-Y11 PolarHBondContact O-N 3.43Å
8	Y	80.3	Confident	76	Confident	170 Å²	170	105.6 Å²	105.6	67%	0.667	57%	0.574	S	S	*	*	H	α-helix	trans	-67.4	-34.6	177.4	-74.1	-66.7	0	0	0	113	V4 T5 Y11 G12	V4-Y8 HydrophobicContact CG1-CD2 3.71Å; V4-Y8 HydrophobicContact CG1-CE2 3.38Å; V4-Y8 WeakPolarHBondContact O-CD2 3.37Å; V4-Y8 PolarHBondContact O-N 2.88Å; V4-Y8 VanDerWaalsContact O-N 3.11Å; T5-Y8 PolarHBondContact O-N 3.32Å; Y8-Y11 PolarHBondContact O-N 2.91Å; Y8-G12 PolarHBondContact O-N 2.72Å
9	F	78.2	Confident	76.5	Confident	148 Å²	148	103.1 Å²	103.1	65%	0.649	56%	0.562	S	S	*	*	H	α-helix	trans	-63.1	-46.2	172.1	-176.4	-99.2	0	0	0	111.5	T5 V6 R7 Y11 G12 C13	T5-F9 WeakPolarHBondContact O-CB 3.5Å; T5-F9 PolarHBondContact O-N 2.94Å; V6-F9 PolarHBondContact O-N 3.43Å; R7-F9 VanDerWaalsContact C-N 3.35Å; F9-Y11 PolarHBondContact O-N 2.8Å; F9-G12 PolarHBondContact O-N 3.47Å; F9-C13 PolarHBondContact O-N 2.79Å; F9-C13 PolarHBondContact O-SG 2.89Å; F9-C13 VanDerWaalsContact O-SG 3.37Å
10	C	78.3	Confident	76.8	Confident	62 Å²	62	106.4 Å²	106.4	42%	0.419	57%	0.566	S	S	.	*	H	α-helix	trans	-63.7	-39.3	176.5	-68.4	0	0	0	0	112.7	V6 R7 G12 C13 L14	V6-C10 WeakPolarHBondContact O-CB 3.31Å; V6-C10 PolarHBondContact O-N 3.36Å; V6-C10 PolarHBondContact O-SG 2.95Å; R7-C10 PolarHBondContact O-N 3.48Å; C10-G12 VanDerWaalsContact C-N 3.35Å; C10-C13 PolarHBondContact O-N 2.66Å; C10-L14 WeakPolarHBondContact O-CB 3.38Å; C10-L14 WeakPolarHBondContact O-CG 3.17Å; C10-L14 PolarHBondContact O-N 2.76Å
11	Y	84.4	Confident	77.3	Confident	150 Å²	150	105.4 Å²	105.4	59%	0.588	57%	0.565	S	S	*	*	H	α-helix	trans	-65.5	-38.1	173.4	-69.7	-49.1	0	0	0	112.2	R7 Y8 F9 L14 F15	R7-Y11 HydrophobicContact CB-CE2 4.24Å; R7-Y11 WeakPolarHBondContact O-CD2 3.33Å; R7-Y11 PolarHBondContact O-N 3.43Å; Y8-Y11 PolarHBondContact O-N 2.91Å; F9-Y11 PolarHBondContact O-N 2.8Å; Y11-L14 PolarHBondContact O-N 3.26Å; Y11-F15 WeakPolarHBondContact O-CB 3.32Å; Y11-F15 PolarHBondContact O-N 2.89Å
12	G	81.1	Confident	78.9	Confident	35 Å²	35	98.5 Å²	98.5	36%	0.361	54%	0.535	S	S	.	.	H	α-helix	trans	-60	-47.1	172.1	0	0	0	0	0	112.1	Y8 F9 C10 L14 F15 T16	Y8-G12 PolarHBondContact O-N 2.72Å; F9-G12 PolarHBondContact O-N 3.47Å; C10-G12 VanDerWaalsContact C-N 3.35Å; G12-L14 PolarHBondContact O-N 3.38Å; G12-F15 PolarHBondContact O-N 3.33Å; G12-T16 WeakPolarHBondContact O-CG2 3.34Å; G12-T16 PolarHBondContact O-N 2.89Å; G12-T16 PolarHBondContact O-OG1 3.25Å; G12-T16 VanDerWaalsContact O-OG1 3.09Å
13	C	82.3	Confident	80.1	Confident	59 Å²	59	101.2 Å²	101.2	40%	0.399	54%	0.537	S	S	.	.	H	α-helix	trans	-64	-38	176.6	-67.5	0	0	0	0	113.1	F9 C10 T16 S17	F9-C13 PolarHBondContact O-N 2.79Å; F9-C13 PolarHBondContact O-SG 2.89Å; F9-C13 VanDerWaalsContact O-SG 3.37Å; C10-C13 PolarHBondContact O-N 2.66Å; C13-T16 WeakPolarHBondContact CA-OG1 3.34Å; C13-T16 PolarHBondContact O-OG1 2.75Å; C13-T16 VanDerWaalsContact O-OG1 3.08Å; C13-S17 WeakPolarHBondContact O-CB 3.44Å; C13-S17 PolarHBondContact O-N 3.1Å
14	L	84.7	Confident	80.7	Confident	118 Å²	118	101.1 Å²	101.1	62%	0.618	53%	0.53	S	S	*	.	H	α-helix	trans	-66.9	-41.8	175.7	-83.9	160.9	0	0	0	111.5	C10 Y11 G12 S17 A18	C10-L14 WeakPolarHBondContact O-CB 3.38Å; C10-L14 WeakPolarHBondContact O-CG 3.17Å; C10-L14 PolarHBondContact O-N 2.76Å; Y11-L14 PolarHBondContact O-N 3.26Å; G12-L14 PolarHBondContact O-N 3.38Å; L14-S17 PolarHBondContact O-N 2.81Å; L14-A18 WeakPolarHBondContact O-CB 3.44Å; L14-A18 PolarHBondContact O-N 2.87Å
15	F	87	Confident	81.2	Confident	148 Å²	148	103.2 Å²	103.2	65%	0.649	53%	0.531	S	S	*	.	H	α-helix	trans	-69.1	-40.3	179.3	-164.2	-93.7	0	0	0	112	Y11 G12 A18 T19	Y11-F15 WeakPolarHBondContact O-CB 3.32Å; Y11-F15 PolarHBondContact O-N 2.89Å; G12-F15 PolarHBondContact O-N 3.33Å; F15-A18 PolarHBondContact O-N 3.12Å; F15-T19 HydrophobicContact CD1-CG2 4.16Å; F15-T19 HydrophobicContact CE1-CG2 3.87Å; F15-T19 HydrophobicContact CZ-CG2 4.35Å; F15-T19 WeakPolarHBondContact O-CB 3.42Å; F15-T19 WeakPolarHBondContact O-CG2 3.4Å; F15-T19 PolarHBondContact O-N 3.33Å; F15-T19 PolarHBondContact O-OG1 3.21Å
16	T	81.6	Confident	81.4	Confident	77 Å²	77	101.9 Å²	101.9	47%	0.472	52%	0.523	S	S	.	.	H	α-helix	trans	-67.6	-38.8	175.1	55.5	0	0	0	0	111.8	G12 C13 T19 W20	G12-T16 WeakPolarHBondContact O-CG2 3.34Å; G12-T16 PolarHBondContact O-N 2.89Å; G12-T16 PolarHBondContact O-OG1 3.25Å; G12-T16 VanDerWaalsContact O-OG1 3.09Å; C13-T16 WeakPolarHBondContact CA-OG1 3.34Å; C13-T16 PolarHBondContact O-OG1 2.75Å; C13-T16 VanDerWaalsContact O-OG1 3.08Å; T16-T19 VanDerWaalsContact CA-OG1 3.26Å; T16-T19 WeakPolarHBondContact CA-OG1 3.34Å; T16-T19 PolarHBondContact O-N 2.83Å; T16-T19 PolarHBondContact O-OG1 3.36Å; T16-W20 WeakPolarHBondContact O-CB 3.49Å; T16-W20 PolarHBondContact O-N 2.79Å
17	S	83.9	Confident	81.4	Confident	70 Å²	70	104.7 Å²	104.7	49%	0.49	53%	0.525	S	S	.	.	H	α-helix	trans	-63.7	-44.6	174.5	-174.6	0	0	0	0	112.1	C13 L14 W20 T21	C13-S17 WeakPolarHBondContact O-CB 3.44Å; C13-S17 PolarHBondContact O-N 3.1Å; L14-S17 PolarHBondContact O-N 2.81Å; S17-W20 PolarHBondContact O-N 2.82Å; S17-T21 WeakPolarHBondContact O-CB 3.37Å; S17-T21 PolarHBondContact O-N 2.78Å; S17-T21 PolarHBondContact O-OG1 3.25Å
18	A	87.2	Confident	80.9	Confident	52 Å²	52	103.9 Å²	103.9	43%	0.43	53%	0.526	S	S	.	.	H	α-helix	trans	-63.7	-43.6	177.7	0	0	0	0	0	112.2	L14 F15 T21 V22	L14-A18 WeakPolarHBondContact O-CB 3.44Å; L14-A18 PolarHBondContact O-N 2.87Å; F15-A18 PolarHBondContact O-N 3.12Å; A18-T21 PolarHBondContact O-N 3.29Å; A18-V22 WeakPolarHBondContact O-CG2 3.39Å; A18-V22 PolarHBondContact O-N 3.16Å
19	T	85.9	Confident	80.2	Confident	57 Å²	57	100.4 Å²	100.4	35%	0.35	52%	0.519	S	S	.	.	H	α-helix	trans	-66.1	-40.7	178.1	44.4	0	0	0	0	112.5	F15 T16 T21 V22 L23	F15-T19 HydrophobicContact CD1-CG2 4.16Å; F15-T19 HydrophobicContact CE1-CG2 3.87Å; F15-T19 HydrophobicContact CZ-CG2 4.35Å; F15-T19 WeakPolarHBondContact O-CB 3.42Å; F15-T19 WeakPolarHBondContact O-CG2 3.4Å; F15-T19 PolarHBondContact O-N 3.33Å; F15-T19 PolarHBondContact O-OG1 3.21Å; T16-T19 VanDerWaalsContact CA-OG1 3.26Å; T16-T19 WeakPolarHBondContact CA-OG1 3.34Å; T16-T19 PolarHBondContact O-N 2.83Å; T16-T19 PolarHBondContact O-OG1 3.36Å; T19-T21 VanDerWaalsContact C-N 3.35Å; T19-V22 PolarHBondContact O-N 3.44Å; T19-L23 WeakPolarHBondContact O-CB 3.41Å; T19-L23 WeakPolarHBondContact O-CG 3.48Å; T19-L23 PolarHBondContact O-N 3.37Å
20	W	82.6	Confident	78.9	Confident	170 Å²	170	101.8 Å²	101.8	64%	0.644	53%	0.525	S	S	*	.	H	α-helix	trans	-64.8	-37.3	172	-91.5	96.8	0	0	0	112.9	T16 S17 L23 L24	T16-W20 WeakPolarHBondContact O-CB 3.49Å; T16-W20 PolarHBondContact O-N 2.79Å; S17-W20 PolarHBondContact O-N 2.82Å; W20-L23 PolarHBondContact O-N 3.12Å; W20-L24 HydrophobicContact CE3-CG 4.45Å; W20-L24 WeakPolarHBondContact O-CB 2.95Å; W20-L24 VanDerWaalsContact O-CG 3.29Å; W20-L24 WeakPolarHBondContact O-CG 3.38Å; W20-L24 PolarHBondContact O-N 2.88Å
21	T	86.3	Confident	77.3	Confident	86 Å²	86	101.4 Å²	101.4	53%	0.528	52%	0.523	S	S	.	.	H	α-helix	trans	-66	-41.6	177.6	-54.2	0	0	0	0	111.2	S17 A18 T19 L24 F25	S17-T21 WeakPolarHBondContact O-CB 3.37Å; S17-T21 PolarHBondContact O-N 2.78Å; S17-T21 PolarHBondContact O-OG1 3.25Å; A18-T21 PolarHBondContact O-N 3.29Å; T19-T21 VanDerWaalsContact C-N 3.35Å; T21-L24 PolarHBondContact O-N 3.17Å; T21-F25 VanDerWaalsContact O-CB 3.28Å; T21-F25 WeakPolarHBondContact O-CB 3.39Å; T21-F25 PolarHBondContact O-N 3.08Å
22	V	85.7	Confident	75.4	Confident	91 Å²	91	103.1 Å²	103.1	55%	0.552	54%	0.536	S	S	*	.	H	α-helix	trans	-67.1	-42.3	175.3	173.6	0	0	0	0	111.2	A18 T19 F25 V26	A18-V22 WeakPolarHBondContact O-CG2 3.39Å; A18-V22 PolarHBondContact O-N 3.16Å; T19-V22 PolarHBondContact O-N 3.44Å; V22-F25 PolarHBondContact O-N 2.94Å; V22-V26 HydrophobicContact CG1-CG2 4.49Å; V22-V26 WeakPolarHBondContact O-CG2 3.41Å; V22-V26 PolarHBondContact O-N 3.2Å
23	L	79.6	Confident	73.6	Confident	110 Å²	110	106.9 Å²	106.9	58%	0.576	55%	0.552	S	S	*	*	H	α-helix	trans	-63.2	-41.9	176.1	-81.2	164.9	0	0	0	112.3	T19 W20 V26 Y27	T19-L23 WeakPolarHBondContact O-CB 3.41Å; T19-L23 WeakPolarHBondContact O-CG 3.48Å; T19-L23 PolarHBondContact O-N 3.37Å; W20-L23 PolarHBondContact O-N 3.12Å; L23-V26 PolarHBondContact O-N 3.21Å; L23-Y27 VanDerWaalsContact O-CB 3.29Å; L23-Y27 WeakPolarHBondContact O-CB 3.31Å; L23-Y27 PolarHBondContact O-N 2.81Å
24	L	76.6	Confident	71.4	Confident	79 Å²	79	110.1 Å²	110.1	41%	0.414	57%	0.57	S	S	.	*	H	α-helix	trans	-66.2	-40.7	174.1	-74.6	168.5	0	0	0	111.3	W20 T21 V26 Y27 F28	W20-L24 HydrophobicContact CE3-CG 4.45Å; W20-L24 WeakPolarHBondContact O-CB 2.95Å; W20-L24 VanDerWaalsContact O-CG 3.29Å; W20-L24 WeakPolarHBondContact O-CG 3.38Å; W20-L24 PolarHBondContact O-N 2.88Å; T21-L24 PolarHBondContact O-N 3.17Å; L24-V26 PolarHBondContact O-N 3.46Å; L24-Y27 PolarHBondContact O-N 2.91Å; L24-F28 HydrophobicContact CB-CD2 4.39Å; L24-F28 HydrophobicContact CB-CE2 4.47Å; L24-F28 HydrophobicContact CD2-CE2 4.16Å; L24-F28 WeakPolarHBondContact O-CB 3.4Å; L24-F28 WeakPolarHBondContact O-CD2 3.34Å; L24-F28 PolarHBondContact O-N 2.63Å
25	F	80.3	Confident	68.8	Low	136 Å²	136	113.3 Å²	113.3	60%	0.596	58%	0.582	S	S	*	*	H	α-helix	trans	-61.7	-43.4	175.3	-179.2	-94.5	0	0	0	111.8	T21 V22 F28 N29	T21-F25 VanDerWaalsContact O-CB 3.28Å; T21-F25 WeakPolarHBondContact O-CB 3.39Å; T21-F25 PolarHBondContact O-N 3.08Å; V22-F25 PolarHBondContact O-N 2.94Å; F25-F28 PolarHBondContact O-N 2.85Å; F25-N29 VanDerWaalsContact CD2-ND2 3.34Å; F25-N29 WeakPolarHBondContact CD2-ND2 3.45Å; F25-N29 WeakPolarHBondContact CE2-ND2 3.43Å; F25-N29 VanDerWaalsContact CZ-ND2 3.3Å; F25-N29 WeakPolarHBondContact CZ-ND2 3.31Å; F25-N29 WeakPolarHBondContact O-CB 2.76Å; F25-N29 PolarHBondContact O-N 2.89Å; F25-N29 PolarHBondContact O-ND2 3.33Å
26	V	75.4	Confident	66.4	Low	71 Å²	71	111.6 Å²	111.6	43%	0.43	59%	0.585	S	S	.	*	H	α-helix	trans	-65.1	-43.6	174.5	172.1	0	0	0	0	110.7	V22 L23 L24 F28 N29 F30	V22-V26 HydrophobicContact CG1-CG2 4.49Å; V22-V26 WeakPolarHBondContact O-CG2 3.41Å; V22-V26 PolarHBondContact O-N 3.2Å; L23-V26 PolarHBondContact O-N 3.21Å; L24-V26 PolarHBondContact O-N 3.46Å; V26-F28 PolarHBondContact O-N 3.07Å; V26-N29 PolarHBondContact O-N 2.93Å; V26-F30 HydrophobicContact CG1-CD2 4.17Å; V26-F30 WeakPolarHBondContact O-CB 3.33Å; V26-F30 PolarHBondContact O-N 2.81Å
27	Y	73.3	Confident	64.1	Low	148 Å²	148	115.4 Å²	115.4	58%	0.58	60%	0.602	S	S	*	*	H	α-helix	trans	-59	-46.2	175.7	179.9	-97	0	0	0	111.7	L23 L24 S31	L23-Y27 VanDerWaalsContact O-CB 3.29Å; L23-Y27 WeakPolarHBondContact O-CB 3.31Å; L23-Y27 PolarHBondContact O-N 2.81Å; L24-Y27 PolarHBondContact O-N 2.91Å; Y27-S31 WeakPolarHBondContact O-CA 3.34Å; Y27-S31 WeakPolarHBondContact O-CB 3.45Å; Y27-S31 PolarHBondContact O-N 2.89Å
28	F	64.8	Low	61.5	Low	145 Å²	145	121 Å²	121	64%	0.636	62%	0.618	S	S	*	*	H	α-helix	trans	-74.9	-28	-179.1	-78	-65.3	0	0	0	114.1	L24 F25 V26	L24-F28 HydrophobicContact CB-CD2 4.39Å; L24-F28 HydrophobicContact CB-CE2 4.47Å; L24-F28 HydrophobicContact CD2-CE2 4.16Å; L24-F28 WeakPolarHBondContact O-CB 3.4Å; L24-F28 WeakPolarHBondContact O-CD2 3.34Å; L24-F28 PolarHBondContact O-N 2.63Å; F25-F28 PolarHBondContact O-N 2.85Å; V26-F28 PolarHBondContact O-N 3.07Å
29	N	64.5	Low	58.7	Low	96 Å²	96	126.5 Å²	126.5	51%	0.513	64%	0.64	S	S	.	*	H	α-helix	trans	-87.8	-25.1	178.2	-77.7	-87.8	0	0	0	113.7	F25 V26	F25-N29 VanDerWaalsContact CD2-ND2 3.34Å; F25-N29 WeakPolarHBondContact CD2-ND2 3.45Å; F25-N29 WeakPolarHBondContact CE2-ND2 3.43Å; F25-N29 VanDerWaalsContact CZ-ND2 3.3Å; F25-N29 WeakPolarHBondContact CZ-ND2 3.31Å; F25-N29 WeakPolarHBondContact O-CB 2.76Å; F25-N29 PolarHBondContact O-N 2.89Å; F25-N29 PolarHBondContact O-ND2 3.33Å; V26-N29 PolarHBondContact O-N 2.93Å
30	F	51.9	Low	56	Low	178 Å²	178	129.6 Å²	129.6	78%	0.781	66%	0.658	S	S	*	*	H	α-helix	trans	-110	-4.6	-179	-75.7	-85.7	0	0	0	114.3	V26 E32	V26-F30 HydrophobicContact CG1-CD2 4.17Å; V26-F30 WeakPolarHBondContact O-CB 3.33Å; V26-F30 PolarHBondContact O-N 2.81Å; F30-E32 VanDerWaalsContact C-N 3.29Å; F30-E32 PolarHBondContact O-N 2.86Å
31	S	44.8	Very low	53.4	Low	53 Å²	53	127.5 Å²	127.5	37%	0.371	67%	0.666	S	S	.	*			trans	-87.7	64.4	169.6	-171.2	0	0	0	0	111	Y27 V33	Y27-S31 WeakPolarHBondContact O-CA 3.34Å; Y27-S31 WeakPolarHBondContact O-CB 3.45Å; Y27-S31 PolarHBondContact O-N 2.89Å; S31-V33 PolarHBondContact O-N 3.06Å
32	E	43.8	Very low	50.8	Low	187 Å²	187	129.3 Å²	129.3	87%	0.874	68%	0.677	S	S	*	*			trans	-85.8	62.8	156.7	-89.5	-159.1	154.8	0	0	109.9	F30	F30-E32 VanDerWaalsContact C-N 3.29Å; F30-E32 PolarHBondContact O-N 2.86Å
33	V	43.1	Very low	47.9	Very low	114 Å²	114	134.8 Å²	134.8	69%	0.691	69%	0.693	S	S	*	*	S	Bend	trans	-149.8	123.8	145.2	-168.2	0	0	0	0	107.1	S31	S31-V33 PolarHBondContact O-N 3.06Å
34	T	37	Very low	45.4	Very low	126 Å²	126	133 Å²	133	77%	0.773	70%	0.702	S	S	*	*			trans	89.2	99	174.2	70.1	0	0	0	0	118.4
35	Q	30.4	Very low	43.1	Very low	185 Å²	185	135.2 Å²	135.2	86%	0.864	72%	0.724	S	S	*	*			trans	-134.5	135.4	138.8	-80.2	-155.5	-6	0	0	110.7
36	P	34.8	Very low	40.4	Very low	112 Å²	112	132.2 Å²	132.2	73%	0.727	73%	0.732	S	S	*	*			trans	-108.9	122.3	145.1	31.7	-19.9	0	0	0	111.4
37	L	33.3	Very low	39	Very low	158 Å²	158	134.7 Å²	134.7	83%	0.827	75%	0.749	S	S	*	*			trans	57.4	111.3	139.1	-70.4	154.2	0	0	0	121.3
38	K	29.9	Very low	36.8	Very low	188 Å²	188	140.2 Å²	140.2	82%	0.817	77%	0.769	S	S	*	*				171.6	127.8	104	-97.8	176.7	178.4	176.2	0	111.7
39	N	29	Very low	35.1	Very low	167 Å²	167	136.7 Å²	136.7	89%	0.893	77%	0.774	S	S	*	*			trans	-167	127.6	130.4	-89.1	-23.7	0	0	0	109.9
40	V	29	Very low	33.5	Very low	122 Å²	122	138.5 Å²	138.5	74%	0.739	79%	0.791	S	S	*	*			trans	-91.1	144.2	171.2	174.4	0	0	0	0	108.2	V42	V40-V42 HydrophobicContact CG1-CG2 3.88Å
41	P	27.5	Very low	32.5	Very low	125 Å²	125	135.2 Å²	135.2	81%	0.812	79%	0.789	S	S	*	*				-131.5	140.5	128.6	20.5	-1.9	0	0	0	112.7
42	V	31.2	Very low	31.8	Very low	124 Å²	124	138.9 Å²	138.9	75%	0.752	81%	0.812	S	S	*	*			trans	-86.8	131.3	178.3	173.4	0	0	0	0	110.7	V40	V40-V42 HydrophobicContact CG1-CG2 3.88Å
43	K	25.9	Very low	31.2	Very low	206 Å²	206	139.6 Å²	139.6	90%	0.896	81%	0.812	S	S	*	*				-174.9	114.7	127.9	-106	178	-180	-179.9	0	114.4
44	G	27.1	Very low	30.6	Very low	73 Å²	73	142.9 Å²	142.9	75%	0.753	82%	0.817	S	S	*	*			trans	26.4	120.8	146.6	0	0	0	0	0	124.2
45	S	27.1	Very low	30	Very low	126 Å²	126	146.3 Å²	146.3	88%	0.881	82%	0.822	S	S	*	*				177.5	127.2	116.2	39.4	0	0	0	0	109.7
46	G	25.6	Very low	30.1	Very low	73 Å²	73	146.6 Å²	146.6	75%	0.753	82%	0.816	S	S	*	*			trans	-88.6	-163.7	176.4	0	0	0	0	0	112.6
47	P	44.7	Very low	29.6	Very low	122 Å²	122	147 Å²	147	79%	0.792	82%	0.819	S	S	*	*			cis	-121.6	147.2	-41.7	35.8	-22.8	0	0	0	110.8
48	R	27.4	Very low	29.3	Very low	264 Å²	264	150.6 Å²	150.6	100%	0.996	82%	0.822	S	S	*	*			trans	-176.7	126	159.9	-107.1	170.5	-123.7	-145.3	3.9	111.8
49	G	29	Very low	29.4	Very low	72 Å²	72	151.5 Å²	151.5	74%	0.742	83%	0.826	S	S	*	*			trans	106.3	134.6	157.2	0	0	0	0	0	116.4
50	P	32.1	Very low	29.4	Very low	134 Å²	134	150.3 Å²	150.3	87%	0.87	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-83.3	144.9	-166.7	34.6	-33.6	0	0	0	112.9
51	S	29	Very low	29.4	Very low	108 Å²	108	156.3 Å²	156.3	76%	0.755	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-71.6	147.6	176.1	31.7	0	0	0	0	113.2
52	P	31.3	Very low	29.5	Very low	130 Å²	130	153.3 Å²	153.3	84%	0.844	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-76.4	135	174.1	30.2	-30.7	0	0	0	111
53	K	30.1	Very low	29.4	Very low	203 Å²	203	154 Å²	154	88%	0.883	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-70.6	132.5	-177.2	-68.4	174	177.5	173.7	0	111.5
54	K	30.7	Very low	29.4	Very low	182 Å²	182	150 Å²	150	79%	0.791	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-62.9	129.4	160.6	-75.9	179.2	176.3	179.8	0	109.1	Y56	K54-Y56 PolarHBondContact O-N 3.16Å
55	F	25.4	Very low	29.4	Very low	198 Å²	198	158.4 Å²	158.4	87%	0.868	84%	0.84	S	S	*	*			trans	-82.4	111.4	-177.3	-150.6	-96.6	0	0	0	109.6
56	Y	31.3	Very low	29.4	Very low	192 Å²	192	160.3 Å²	160.3	75%	0.753	84%	0.839	S	S	*	*			trans	-106.5	138.7	159.3	-72.1	-92	0	0	0	106.7	K54 R58	K54-Y56 PolarHBondContact O-N 3.16Å; Y56-R58 PolarHBondContact O-N 3.33Å
57	P	26.2	Very low	29.2	Very low	120 Å²	120	165.7 Å²	165.7	78%	0.779	85%	0.85	S	S	*	*			trans	-67.5	109.6	175.1	26.2	-29.5	0	0	0	109.3
58	R	26.5	Very low	28.2	Very low	234 Å²	234	168.6 Å²	168.6	88%	0.883	85%	0.853	S	S	*	*			trans	-89.1	129.3	166.3	-105.7	-177.6	-179.6	-179.5	-0.2	108.5	Y56 T60	Y56-R58 PolarHBondContact O-N 3.33Å; R58-T60 PolarHBondContact O-N 3.16Å
59	F	31.6	Very low	28.5	Very low	206 Å²	206	161 Å²	161	90%	0.904	84%	0.838	S	S	*	*			trans	-46	124.4	164.2	-74.2	-91.7	0	0	0	111	R61	F59-R61 PolarHBondContact O-N 3.26Å
60	T	28.5	Very low	28.2	Very low	143 Å²	143	167 Å²	167	88%	0.877	85%	0.847	S	S	*	*			trans	-75.2	110.4	176.8	31.6	0	0	0	0	110.3	R58	R58-T60 PolarHBondContact O-N 3.16Å
61	R	28.8	Very low	27.7	Very low	248 Å²	248	170.4 Å²	170.4	94%	0.936	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-71	125.1	156.5	-79.5	179.4	172.3	173.3	-3	108.4	F59	F59-R61 PolarHBondContact O-N 3.26Å
62	G	29.2	Very low	27.4	Very low	62 Å²	62	175.1 Å²	175.1	64%	0.639	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-69.2	162.8	172.5	0	0	0	0	0	112.8
63	P	30.4	Very low	27.2	Very low	138 Å²	138	173 Å²	173	90%	0.896	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-83	134.7	-173.3	31.9	-31	0	0	0	112.4
64	S	26.2	Very low	26.9	Very low	121 Å²	121	171.3 Å²	171.3	85%	0.846	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-87.6	128.3	166.5	-53.3	0	0	0	0	110.8
65	R	26.4	Very low	26.5	Very low	250 Å²	250	171.9 Å²	171.9	94%	0.943	85%	0.851	S	S	*	*			trans	-140	134.9	145.7	-87.6	-166.7	177.5	-177.7	-0.6	110.1
66	L	26.8	Very low	26.5	Very low	167 Å²	167	169.4 Å²	169.4	87%	0.874	85%	0.846	S	S	*	*			trans	-71.7	147.6	-173.9	-71.6	125.9	0	0	0	113.7
67	L	22.6	Very low	26.1	Very low	185 Å²	185	167 Å²	167	97%	0.969	85%	0.845	S	S	*	*			trans	-166.2	137	133.1	-97.3	153.9	0	0	0	108.8
68	E	23.1	Very low	26.1	Very low	183 Å²	183	169.2 Å²	169.2	86%	0.855	85%	0.851	S	S	*	*			trans	-97.3	-174.7	-170.1	-141.9	-176.4	-144.8	0	0	111
69	P	33	Very low	26.1	Very low	105 Å²	105	164.4 Å²	164.4	68%	0.682	85%	0.848	S	S	*	*				-108.3	149.8	-100.3	38.1	-24.8	0	0	0	114.6
70	Q	22.1	Very low	25.8	Very low	199 Å²	199	162.6 Å²	162.6	93%	0.93	85%	0.845	S	S	*	*			trans	-149.7	133.4	151.9	-76.6	-156.9	-6.5	0	0	113.3
71	F	23.5	Very low	25.6	Very low	205 Å²	205	161 Å²	161	90%	0.899	83%	0.832	S	S	*	*			trans	-55.7	143.2	175.6	-90.7	-110.9	0	0	0	114.6
72	K	22.5	Very low	25.6	Very low	206 Å²	206	154.3 Å²	154.3	90%	0.896	82%	0.823	S	S	*	*				-180	138.8	115.3	-98.6	171.4	-176.9	180	0	112.3
73	A	25.4	Very low	25.5	Very low	85 Å²	85	157.6 Å²	157.6	70%	0.702	82%	0.821	S	S	*	*			trans	-68.3	146.2	177	0	0	0	0	0	113
74	N	24.3	Very low	25.8	Very low	168 Å²	168	158 Å²	158	90%	0.898	82%	0.82	S	S	*	*				-173.1	144	129.1	-90.7	-20.5	0	0	0	111.6
75	K	23.1	Very low	25.7	Very low	194 Å²	194	159.2 Å²	159.2	84%	0.843	81%	0.813	S	S	*	*			trans	-65.8	151.6	-178.2	-67.7	170	157	176.4	0	112.8
76	I	24.8	Very low	25.8	Very low	147 Å²	147	153.5 Å²	153.5	75%	0.754	80%	0.801	S	S	*	*				170.2	122	107.5	-82.3	160.8	0	0	0	108.5
77	D	24	Very low	26.3	Very low	140 Å²	140	151.4 Å²	151.4	75%	0.749	80%	0.798	S	S	*	*			trans	43.3	110.3	152.1	-53.5	-19.1	0	0	0	120.9
78	D	25.3	Very low	26.6	Very low	167 Å²	167	150.6 Å²	150.6	89%	0.893	79%	0.789	S	S	*	*				-162.1	133.7	118.9	-100.2	-27.3	0	0	0	111.2
79	V	26	Very low	27.1	Very low	134 Å²	134	151.5 Å²	151.5	81%	0.812	79%	0.793	S	S	*	*			trans	-79.4	118.5	-168.7	173.7	0	0	0	0	110.7
80	I	25.8	Very low	27.1	Very low	167 Å²	167	148.8 Å²	148.8	86%	0.856	78%	0.784	S	S	*	*			trans	-132.3	91	153.4	-59.6	178.8	0	0	0	106.1
81	D	25.1	Very low	28	Very low	111 Å²	111	146.3 Å²	146.3	59%	0.594	77%	0.772	S	S	*	*			trans	-95.4	113.8	163.1	-151	-16.3	0	0	0	107.7	H83	D81-H83 VanDerWaalsContact C-N 3.31Å; D81-H83 PolarHBondContact O-N 2.77Å; D81-H83 IonicContact OD1-CD2 3.95Å; D81-H83 IonicContact OD1-NE2 3.69Å; D81-H83 IonicContact OD2-CD2 3.8Å; D81-H83 IonicContact OD2-NE2 3.66Å; D81-H83 PolarHBondContact OD2-NE2 2.84Å
82	S	28.7	Very low	29.3	Very low	106 Å²	106	141.3 Å²	141.3	74%	0.741	75%	0.754	S	S	*	*			trans	-84.7	79.7	171.4	56	0	0	0	0	108.1	V84	S82-V84 PolarHBondContact O-N 2.86Å
83	H	26.9	Very low	30.8	Very low	131 Å²	131	140.5 Å²	140.5	61%	0.606	75%	0.751	S	S	*	*			trans	-79.2	113	161.2	-76.5	-63	0	0	0	108.8	D81 E85	D81-H83 VanDerWaalsContact C-N 3.31Å; D81-H83 PolarHBondContact O-N 2.77Å; D81-H83 IonicContact OD1-CD2 3.95Å; D81-H83 IonicContact OD1-NE2 3.69Å; D81-H83 IonicContact OD2-CD2 3.8Å; D81-H83 IonicContact OD2-NE2 3.66Å; D81-H83 PolarHBondContact OD2-NE2 2.84Å; H83-E85 HydrophobicContact CB-CG 4.01Å; H83-E85 PolarHBondContact O-N 2.93Å
84	V	36.3	Very low	32.7	Very low	146 Å²	146	141 Å²	141	89%	0.885	74%	0.737	S	S	*	*			trans	-68	86.9	149.5	176.3	0	0	0	0	104.9	S82	S82-V84 PolarHBondContact O-N 2.86Å
85	E	24.9	Very low	35	Very low	147 Å²	147	135.5 Å²	135.5	69%	0.687	71%	0.712	S	S	*	*			trans	-71	126.3	165.3	-78.9	177.1	164.9	0	0	107.4	H83	H83-E85 HydrophobicContact CB-CG 4.01Å; H83-E85 PolarHBondContact O-N 2.93Å
86	D	28.6	Very low	37.1	Very low	131 Å²	131	128.6 Å²	128.6	70%	0.701	69%	0.688	S	S	*	*			trans	-43.6	138.8	151.9	-85.8	-40.9	0	0	0	107.7	E88	D86-E88 PolarHBondContact O-N 3.43Å
87	P	36.1	Very low	39.8	Very low	123 Å²	123	123.5 Å²	123.5	80%	0.799	66%	0.661	S	S	*	*			trans	-59.9	113.8	166.9	24.4	-24.4	0	0	0	105.7
88	E	30.3	Very low	42.7	Very low	168 Å²	168	117.9 Å²	117.9	79%	0.785	63%	0.631	S	S	*	*			trans	-38.6	147.5	170.8	-69.5	-173.8	139.9	0	0	109.5	D86 G90	D86-E88 PolarHBondContact O-N 3.43Å; E88-G90 PolarHBondContact O-N 2.92Å
89	E	33.3	Very low	45.7	Very low	202 Å²	202	110 Å²	110	94%	0.944	59%	0.588	S	S	*	*			trans	-59.5	56.2	162.8	-80.1	179.7	140.5	0	0	111	H91	E89-H91 PolarHBondContact O-N 3.05Å
90	G	32.5	Very low	48.7	Very low	47 Å²	47	103.6 Å²	103.6	49%	0.485	55%	0.55	S	S	.	.			trans	-84.8	102.9	164.5	0	0	0	0	0	106.4	E88 L92	E88-G90 PolarHBondContact O-N 2.92Å; G90-L92 VanDerWaalsContact C-N 3.32Å; G90-L92 PolarHBondContact O-N 3.01Å
91	H	41.5	Very low	51.8	Low	147 Å²	147	95.7 Å²	95.7	68%	0.681	51%	0.509	S	S	*	.			trans	-44.3	96.3	167.6	-69.9	-88.4	0	0	0	110	E89 K93 D132	E89-H91 PolarHBondContact O-N 3.05Å; H91-K93 VanDerWaalsContact C-N 3.3Å; H91-K93 PolarHBondContact O-N 3.33Å; H91-D132 IonicContact CE1-OD2 3.61Å; H91-D132 IonicContact CG-OD2 3.25Å; H91-D132 IonicContact ND1-OD2 3.3Å; H91-D132 PolarHBondContact ND1-OD2 3.37Å
92	L	49.4	Very low	55	Low	101 Å²	101	94.6 Å²	94.6	53%	0.529	50%	0.5	S	S	.	.			trans	-67	93.3	177.8	-94.2	155.6	0	0	0	107.2	G90 F94	G90-L92 VanDerWaalsContact C-N 3.32Å; G90-L92 PolarHBondContact O-N 3.01Å; L92-F94 PolarHBondContact O-N 3.23Å; L92-F94 VanDerWaalsContact O-N 3.11Å
93	K	54.7	Low	58	Low	189 Å²	189	93 Å²	93	82%	0.822	48%	0.483	S	S	*	.			trans	-55.1	121.2	168.4	-80.5	-176.8	178.3	176.1	0	107.4	H91 S95	H91-K93 VanDerWaalsContact C-N 3.3Å; H91-K93 PolarHBondContact O-N 3.33Å; K93-S95 PolarHBondContact O-N 3.39Å
94	F	64.7	Low	61.1	Low	96 Å²	96	93.8 Å²	93.8	42%	0.421	49%	0.486	S	S	.	.			trans	-53.9	102.7	177.6	-172	-92.5	0	0	0	109.5	L92 L98 L127 T281 A283	L92-F94 PolarHBondContact O-N 3.23Å; L92-F94 VanDerWaalsContact O-N 3.11Å; F94-L98 HydrophobicContact CD2-CD1 4.3Å; F94-L127 HydrophobicContact CD2-CD2 3.98Å; F94-L127 HydrophobicContact CE2-CD2 4.32Å; F94-T281 WeakPolarHBondContact CZ-O 3.2Å; F94-A283 HydrophobicContact CE1-CB 3.92Å; F94-A283 HydrophobicContact CZ-CB 3.75Å
95	S	73.1	Confident	63.8	Low	52 Å²	52	96.4 Å²	96.4	36%	0.364	48%	0.48	S	S	.	.			trans	-96.6	137.3	-178.2	176	0	0	0	0	109.4	K93 E97 L98	K93-S95 PolarHBondContact O-N 3.39Å; S95-E97 PolarHBondContact O-N 3.03Å; S95-E97 VanDerWaalsContact O-N 3.13Å; S95-E97 PolarHBondContact OG-N 2.65Å; S95-L98 WeakPolarHBondContact O-CB 3.3Å; S95-L98 WeakPolarHBondContact O-CG 3.32Å; S95-L98 PolarHBondContact O-N 2.8Å; S95-L98 VanDerWaalsContact O-N 3.11Å
96	S	67.2	Low	67.1	Low	48 Å²	48	90.4 Å²	90.4	34%	0.336	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-58.6	-22.6	172.1	50.8	0	0	0	0	112.4	L98 Y571	S96-L98 VanDerWaalsContact C-N 3.3Å; S96-L98 PolarHBondContact O-N 2.94Å; S96-Y571 WeakPolarHBondContact O-CE1 3.24Å
97	E	80.6	Confident	70	Confident	40 Å²	40	86.4 Å²	86.4	19%	0.187	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-78.2	-6.6	178.9	-57.1	-165.8	141.5	0	0	113.9	S95 G99 M100 K566 R569	S95-E97 PolarHBondContact O-N 3.03Å; S95-E97 VanDerWaalsContact O-N 3.13Å; S95-E97 PolarHBondContact OG-N 2.65Å; E97-G99 PolarHBondContact O-N 3.03Å; E97-M100 HydrophobicContact CB-CE 4.09Å; E97-M100 HydrophobicContact CG-CE 3.78Å; E97-M100 WeakPolarHBondContact O-CB 3.41Å; E97-M100 PolarHBondContact O-N 3.39Å; E97-K566 PolarHBondContact OE1-N 2.96Å; E97-R569 IonicContact OE1-CZ 3.94Å; E97-R569 IonicContact OE1-NE 3.47Å; E97-R569 IonicContact OE1-NH2 2.98Å; E97-R569 PolarHBondContact OE1-NH2 2.9Å; E97-R569 IonicContact OE2-NH2 3.84Å
98	L	86	Confident	72.7	Confident	22 Å²	22	86.8 Å²	86.8	12%	0.115	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-59.9	-30.4	-180	-75.8	169.7	0	0	0	113.3	F94 S95 S96 M100 I123 R126 L127	F94-L98 HydrophobicContact CD2-CD1 4.3Å; S95-L98 WeakPolarHBondContact O-CB 3.3Å; S95-L98 WeakPolarHBondContact O-CG 3.32Å; S95-L98 PolarHBondContact O-N 2.8Å; S95-L98 VanDerWaalsContact O-N 3.11Å; S96-L98 VanDerWaalsContact C-N 3.3Å; S96-L98 PolarHBondContact O-N 2.94Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-I123 HydrophobicContact CB-CG2 4.34Å; L98-R126 HydrophobicContact CD2-CB 4.1Å; L98-R126 WeakPolarHBondContact O-CD 3.4Å; L98-R126 PolarHBondContact O-NH1 2.82Å; L98-L127 HydrophobicContact CD1-CD2 3.46Å; L98-L127 VanDerWaalsContact CD1-CD2 3.46Å; L98-L127 HydrophobicContact CD1-CG 4.11Å
99	G	87.3	Confident	75.7	Confident	1 Å²	1	81.3 Å²	81.3	1%	0.01	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-84.5	-3	176.2	0	0	0	0	0	114.9	E97 I101 Y571 G576	E97-G99 PolarHBondContact O-N 3.03Å; G99-I101 PolarHBondContact O-N 3.35Å; G99-Y571 VanDerWaalsContact CA-OH 3.31Å; G99-Y571 WeakPolarHBondContact CA-OH 3.25Å; G99-Y571 PolarHBondContact O-OH 2.92Å; G99-G576 WeakPolarHBondContact O-CA 3.49Å
100	M	90.1	Very high	78.5	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.354	C	S	.	.			trans	-71.4	128.3	-172.6	-165.2	177.5	-64.9	0	0	111.5	E97 L98 F102 R126 R569 Y571 C596	E97-M100 HydrophobicContact CB-CE 4.09Å; E97-M100 HydrophobicContact CG-CE 3.78Å; E97-M100 WeakPolarHBondContact O-CB 3.41Å; E97-M100 PolarHBondContact O-N 3.39Å; L98-M100 VanDerWaalsContact C-N 3.32Å; M100-F102 HydrophobicContact CB-CE1 4.29Å; M100-F102 HydrophobicContact CB-CE2 4.05Å; M100-F102 HydrophobicContact CB-CZ 3.78Å; M100-F102 HydrophobicContact CG-CD1 4.4Å; M100-F102 HydrophobicContact CG-CE1 3.84Å; M100-F102 HydrophobicContact CG-CE2 4.44Å; M100-F102 HydrophobicContact CG-CZ 3.86Å; M100-F102 WeakPolarHBondContact O-CD2 3.43Å; M100-F102 HydrophobicContact SD-CD1 4.3Å; M100-F102 HydrophobicContact SD-CE1 3.38Å; M100-F102 WeakPolarHBondContact SD-CE1 3.35Å; M100-F102 HydrophobicContact SD-CZ 3.64Å; M100-R126 PolarHBondContact O-NH1 3.05Å; M100-R126 PolarHBondContact O-NH2 2.94Å; M100-R569 PolarHBondContact SD-NH1 3.03Å; M100-R569 VanDerWaalsContact SD-NH1 3.4Å; M100-Y571 HydrophobicContact CB-CD2 4.33Å; M100-Y571 HydrophobicContact CB-CE2 3.81Å; M100-Y571 HydrophobicContact CE-CD1 4.17Å; M100-Y571 HydrophobicContact CE-CD2 3.76Å; M100-Y571 HydrophobicContact CE-CE2 4.27Å; M100-Y571 HydrophobicContact CE-CG 3.69Å; M100-Y571 HydrophobicContact CG-CD2 3.97Å; M100-Y571 HydrophobicContact CG-CE2 3.89Å; M100-Y571 PolarHBondContact N-OH 3.03Å; M100-C596 HydrophobicContact CG-CB 3.58Å; M100-C596 WeakPolarHBondContact CG-SG 3.4Å; M100-C596 HydrophobicContact SD-CB 3.69Å
101	I	91.4	Very high	81.2	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.005	35%	0.346	C	S	.	.			trans	-88	114	178.6	-62.7	173.2	0	0	0	107.7	G99 N103 D106 Q107 L122 V575 G576 Q577 I595 C596	G99-I101 PolarHBondContact O-N 3.35Å; I101-N103 WeakPolarHBondContact CG2-O 3.39Å; I101-D106 HydrophobicContact CB-CB 4.31Å; I101-D106 HydrophobicContact CG1-CB 4.48Å; I101-D106 HydrophobicContact CG2-CB 3.91Å; I101-Q107 HydrophobicContact CD1-CB 4.27Å; I101-Q107 HydrophobicContact CD1-CG 4.29Å; I101-Q107 HydrophobicContact CG2-CB 3.77Å; I101-L122 HydrophobicContact CG1-CD2 4.18Å; I101-V575 WeakPolarHBondContact CD1-O 3.47Å; I101-G576 WeakPolarHBondContact CB-O 3.45Å; I101-G576 WeakPolarHBondContact CG1-O 3.48Å; I101-G576 PolarHBondContact N-O 2.86Å; I101-Q577 HydrophobicContact CD1-CG 3.92Å; I101-I595 HydrophobicContact CG2-CB 4.47Å; I101-I595 HydrophobicContact CG2-CG1 3.93Å; I101-I595 HydrophobicContact CG2-CG2 4.28Å; I101-I595 WeakPolarHBondContact O-CG2 3.49Å; I101-C596 WeakPolarHBondContact O-CB 3.17Å; I101-C596 PolarHBondContact O-N 3.41Å
102	F	90.9	Very high	83.6	Confident	89 Å²	89	68.8 Å²	68.8	39%	0.39	33%	0.329	S	S	.	.			trans	-99.8	-18.7	-179.9	-63	-69.7	0	0	0	113.1	M100 D106 I595	M100-F102 HydrophobicContact CB-CE1 4.29Å; M100-F102 HydrophobicContact CB-CE2 4.05Å; M100-F102 HydrophobicContact CB-CZ 3.78Å; M100-F102 HydrophobicContact CG-CD1 4.4Å; M100-F102 HydrophobicContact CG-CE1 3.84Å; M100-F102 HydrophobicContact CG-CE2 4.44Å; M100-F102 HydrophobicContact CG-CZ 3.86Å; M100-F102 WeakPolarHBondContact O-CD2 3.43Å; M100-F102 HydrophobicContact SD-CD1 4.3Å; M100-F102 HydrophobicContact SD-CE1 3.38Å; M100-F102 WeakPolarHBondContact SD-CE1 3.35Å; M100-F102 HydrophobicContact SD-CZ 3.64Å; F102-D106 PolarHBondContact N-OD2 3.43Å; F102-I595 WeakPolarHBondContact O-CG2 3.39Å
103	N	91.9	Very high	85.6	Confident	73 Å²	73	64 Å²	64	39%	0.39	30%	0.304	S	S	.	.	S	Bend	trans	-154	173.7	-177.9	55.9	62.1	0	0	0	111	I101 R105 D106 Q107	I101-N103 WeakPolarHBondContact CG2-O 3.39Å; N103-R105 VanDerWaalsContact C-N 3.27Å; N103-R105 PolarHBondContact O-N 3.33Å; N103-R105 WeakPolarHBondContact OD1-CA 3.39Å; N103-R105 VanDerWaalsContact OD1-CB 3.31Å; N103-R105 WeakPolarHBondContact OD1-CB 3.42Å; N103-R105 PolarHBondContact OD1-N 2.67Å; N103-R105 VanDerWaalsContact OD1-N 3.11Å; N103-D106 WeakPolarHBondContact O-CB 3.29Å; N103-D106 PolarHBondContact O-N 2.87Å; N103-D106 PolarHBondContact OD1-N 2.69Å; N103-Q107 PolarHBondContact O-N 3.5Å
104	E	91.6	Very high	87.3	Confident	146 Å²	146	56.9 Å²	56.9	68%	0.682	27%	0.273	S	S	*	.	H	α-helix	trans	-61.8	-35.1	-179.5	-66.1	178.7	169	0	0	112.3	D106 Q107 E108 I595	E104-D106 PolarHBondContact O-N 3.36Å; E104-Q107 WeakPolarHBondContact O-CB 3.35Å; E104-Q107 PolarHBondContact O-N 2.9Å; E104-Q107 VanDerWaalsContact O-N 3.12Å; E104-E108 WeakPolarHBondContact O-CG 3.49Å; E104-E108 PolarHBondContact O-N 3.49Å; E104-I595 HydrophobicContact CG-CD1 3.98Å
105	R	93.2	Very high	88.5	Confident	201 Å²	201	59 Å²	59	76%	0.758	28%	0.284	S	S	*	.	H	α-helix	trans	-64.5	-38.9	178.6	-172.2	179.6	-173.4	157	1.8	112.5	N103 Q107 E108 L109	N103-R105 VanDerWaalsContact C-N 3.27Å; N103-R105 PolarHBondContact O-N 3.33Å; N103-R105 WeakPolarHBondContact OD1-CA 3.39Å; N103-R105 VanDerWaalsContact OD1-CB 3.31Å; N103-R105 WeakPolarHBondContact OD1-CB 3.42Å; N103-R105 PolarHBondContact OD1-N 2.67Å; N103-R105 VanDerWaalsContact OD1-N 3.11Å; R105-Q107 VanDerWaalsContact C-N 3.3Å; R105-E108 PolarHBondContact O-N 2.86Å; R105-L109 WeakPolarHBondContact O-CB 3.45Å; R105-L109 PolarHBondContact O-N 3.21Å
106	D	94	Very high	89.4	Confident	21 Å²	21	60.2 Å²	60.2	11%	0.112	28%	0.283	C	S	.	.	H	α-helix	trans	-61.5	-42.3	173.1	-73.3	-28.3	0	0	0	111	I101 F102 N103 E104 L109 R110 L122 R126	I101-D106 HydrophobicContact CB-CB 4.31Å; I101-D106 HydrophobicContact CG1-CB 4.48Å; I101-D106 HydrophobicContact CG2-CB 3.91Å; F102-D106 PolarHBondContact N-OD2 3.43Å; N103-D106 WeakPolarHBondContact O-CB 3.29Å; N103-D106 PolarHBondContact O-N 2.87Å; N103-D106 PolarHBondContact OD1-N 2.69Å; E104-D106 PolarHBondContact O-N 3.36Å; D106-L109 PolarHBondContact O-N 3.44Å; D106-R110 WeakPolarHBondContact O-CB 3.45Å; D106-R110 PolarHBondContact O-N 3.03Å; D106-L122 HydrophobicContact CB-CD1 4.11Å; D106-L122 HydrophobicContact CB-CD2 3.98Å; D106-R126 IonicContact OD1-CZ 3.83Å; D106-R126 IonicContact OD1-NH2 3.63Å; D106-R126 PolarHBondContact OD1-NH2 2.99Å; D106-R126 IonicContact OD2-NH2 3Å; D106-R126 PolarHBondContact OD2-NH2 2.87Å
107	Q	90.9	Very high	90.7	Very high	47 Å²	47	58.3 Å²	58.3	22%	0.22	27%	0.269	C	S	.	.	H	α-helix	trans	-64.6	-47.4	179.1	-172.3	163.1	-0.7	0	0	111	I101 N103 E104 R105 L109 R110 D111	I101-Q107 HydrophobicContact CD1-CB 4.27Å; I101-Q107 HydrophobicContact CD1-CG 4.29Å; I101-Q107 HydrophobicContact CG2-CB 3.77Å; N103-Q107 PolarHBondContact O-N 3.5Å; E104-Q107 WeakPolarHBondContact O-CB 3.35Å; E104-Q107 PolarHBondContact O-N 2.9Å; E104-Q107 VanDerWaalsContact O-N 3.12Å; R105-Q107 VanDerWaalsContact C-N 3.3Å; Q107-L109 VanDerWaalsContact C-N 3.34Å; Q107-L109 PolarHBondContact O-N 2.92Å; Q107-R110 PolarHBondContact O-N 3.43Å; Q107-D111 WeakPolarHBondContact O-CB 3.08Å; Q107-D111 VanDerWaalsContact O-CG 3.23Å; Q107-D111 PolarHBondContact O-N 2.92Å
108	E	92.3	Very high	91.3	Very high	131 Å²	131	56.7 Å²	56.7	61%	0.612	26%	0.262	S	S	*	.	H	α-helix	trans	-57.3	-45.5	174.6	-72.6	177	175.2	0	0	111.7	E104 R105 R110 D111 L112	E104-E108 WeakPolarHBondContact O-CG 3.49Å; E104-E108 PolarHBondContact O-N 3.49Å; R105-E108 PolarHBondContact O-N 2.86Å; E108-R110 PolarHBondContact O-N 3.22Å; E108-D111 PolarHBondContact O-N 3.42Å; E108-L112 WeakPolarHBondContact O-CB 3.45Å; E108-L112 PolarHBondContact O-N 3.3Å
109	L	93.1	Very high	91.6	Very high	54 Å²	54	55.6 Å²	55.6	28%	0.283	26%	0.256	S	S	.	.	H	α-helix	trans	-64.3	-42.1	-179.6	-170.4	70.2	0	0	0	111.9	R105 D106 Q107 G113 M121 L122	R105-L109 WeakPolarHBondContact O-CB 3.45Å; R105-L109 PolarHBondContact O-N 3.21Å; D106-L109 PolarHBondContact O-N 3.44Å; Q107-L109 VanDerWaalsContact C-N 3.34Å; Q107-L109 PolarHBondContact O-N 2.92Å; L109-G113 PolarHBondContact O-N 3.29Å; L109-M121 HydrophobicContact CD1-CE 3.36Å; L109-M121 HydrophobicContact CG-CE 3.92Å; L109-M121 WeakPolarHBondContact O-CE 3.38Å; L109-L122 HydrophobicContact CD2-CB 4.42Å; L109-L122 HydrophobicContact CD2-CD1 3.78Å
110	R	91.4	Very high	91.9	Very high	11 Å²	11	55.6 Å²	55.6	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-52.8	174.4	178.2	-169.4	172	-78.4	-3.2	110.7	D106 Q107 E108 L112 G113 Y114 L122 S574 V575	D106-R110 WeakPolarHBondContact O-CB 3.45Å; D106-R110 PolarHBondContact O-N 3.03Å; Q107-R110 PolarHBondContact O-N 3.43Å; E108-R110 PolarHBondContact O-N 3.22Å; R110-L112 PolarHBondContact O-N 3.27Å; R110-G113 WeakPolarHBondContact O-CA 3.39Å; R110-G113 PolarHBondContact O-N 3.27Å; R110-G113 VanDerWaalsContact O-N 3.07Å; R110-Y114 HydrophobicContact CG-CD2 3.96Å; R110-Y114 HydrophobicContact CG-CE2 3.81Å; R110-Y114 WeakPolarHBondContact O-CD2 3.31Å; R110-Y114 PolarHBondContact O-N 3.34Å; R110-L122 HydrophobicContact CB-CB 4.08Å; R110-L122 HydrophobicContact CB-CD2 4.35Å; R110-S574 PolarHBondContact NH2-O 2.75Å; R110-V575 PolarHBondContact NE-O 2.88Å; R110-V575 VanDerWaalsContact NE-O 3.12Å
111	D	90.4	Very high	92.1	Very high	59 Å²	59	56.5 Å²	56.5	32%	0.316	26%	0.26	S	S	.	.	H	α-helix	trans	-65.5	-40.7	-174.3	-69.2	-11.6	0	0	0	111	Q107 E108 G113 Y114 Q115	Q107-D111 WeakPolarHBondContact O-CB 3.08Å; Q107-D111 VanDerWaalsContact O-CG 3.23Å; Q107-D111 PolarHBondContact O-N 2.92Å; E108-D111 PolarHBondContact O-N 3.42Å; D111-G113 VanDerWaalsContact C-N 3.31Å; D111-G113 PolarHBondContact O-N 3.07Å; D111-Y114 PolarHBondContact O-N 2.58Å; D111-Q115 WeakPolarHBondContact O-CB 3.19Å; D111-Q115 PolarHBondContact O-N 2.97Å
112	L	91.6	Very high	92.2	Very high	62 Å²	62	56.5 Å²	56.5	33%	0.325	26%	0.26	S	S	.	.	H	α-helix	trans	-60.7	-40.4	171	-171.6	67.6	0	0	0	111.6	E108 R110 Q115 K116 M121	E108-L112 WeakPolarHBondContact O-CB 3.45Å; E108-L112 PolarHBondContact O-N 3.3Å; R110-L112 PolarHBondContact O-N 3.27Å; L112-Q115 PolarHBondContact O-N 2.89Å; L112-K116 HydrophobicContact CD1-CD 3.96Å; L112-K116 HydrophobicContact CD1-CG 4.12Å; L112-K116 HydrophobicContact CD2-CD 4.5Å; L112-K116 HydrophobicContact CG-CD 3.99Å; L112-K116 HydrophobicContact CG-CG 4.35Å; L112-K116 WeakPolarHBondContact O-CB 3.28Å; L112-K116 PolarHBondContact O-N 3.49Å; L112-M121 HydrophobicContact CD2-CE 4.45Å
113	G	92.2	Very high	92.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.1	-48.9	175	0	0	0	0	0	112.6	L109 R110 D111 Q115 H117 A118 F119	L109-G113 PolarHBondContact O-N 3.29Å; R110-G113 WeakPolarHBondContact O-CA 3.39Å; R110-G113 PolarHBondContact O-N 3.27Å; R110-G113 VanDerWaalsContact O-N 3.07Å; D111-G113 VanDerWaalsContact C-N 3.31Å; D111-G113 PolarHBondContact O-N 3.07Å; G113-Q115 VanDerWaalsContact C-N 3.34Å; G113-Q115 PolarHBondContact O-N 2.86Å; G113-H117 CarbonylContact O-C 3.13Å; G113-H117 WeakPolarHBondContact O-CA 3.32Å; G113-H117 PolarHBondContact O-N 3.24Å; G113-A118 PolarHBondContact O-N 2.91Å; G113-A118 VanDerWaalsContact O-N 3.16Å; G113-F119 CarbonylContact C-O 3.59Å
114	Y	90.4	Very high	92.5	Very high	40 Å²	40	49 Å²	49	16%	0.157	22%	0.224	C	C	.	.	H	α-helix	trans	-67.3	-34.3	175.8	-79.6	-75.7	0	0	0	112.9	R110 D111 A118 F119 N120 D280 R383	R110-Y114 HydrophobicContact CG-CD2 3.96Å; R110-Y114 HydrophobicContact CG-CE2 3.81Å; R110-Y114 WeakPolarHBondContact O-CD2 3.31Å; R110-Y114 PolarHBondContact O-N 3.34Å; D111-Y114 PolarHBondContact O-N 2.58Å; Y114-A118 WeakPolarHBondContact O-CA 3.45Å; Y114-A118 PolarHBondContact O-N 3.09Å; Y114-F119 PolarHBondContact N-O 2.94Å; Y114-N120 HydrophobicContact CE2-CB 3.97Å; Y114-D280 WeakPolarHBondContact CE1-OD1 3.46Å; Y114-D280 VanDerWaalsContact OH-CA 3.3Å; Y114-D280 WeakPolarHBondContact OH-CA 3.44Å; Y114-D280 WeakPolarHBondContact OH-CB 3.4Å; Y114-D280 PolarHBondContact OH-OD1 3.25Å; Y114-R383 PolarHBondContact O-NH2 3.35Å
115	Q	90	Very high	92.7	Very high	141 Å²	141	45.4 Å²	45.4	66%	0.659	21%	0.21	S	C	*	.	H	α-helix	trans	-69.2	-44.8	177.3	-172.8	-175.8	11.3	0	0	112.1	D111 L112 G113 R383	D111-Q115 WeakPolarHBondContact O-CB 3.19Å; D111-Q115 PolarHBondContact O-N 2.97Å; L112-Q115 PolarHBondContact O-N 2.89Å; G113-Q115 VanDerWaalsContact C-N 3.34Å; G113-Q115 PolarHBondContact O-N 2.86Å; Q115-R383 VanDerWaalsContact C-NH2 3.32Å; Q115-R383 PolarHBondContact O-NH2 3.46Å
116	K	91.6	Very high	92.8	Very high	78 Å²	78	39.1 Å²	39.1	34%	0.339	19%	0.186	S	C	.	.	H	α-helix	trans	-85.3	-46.3	-176.4	-72.5	-174	170.2	-178.4	0	112.9	L112 F195 P385 Y386	L112-K116 HydrophobicContact CD1-CD 3.96Å; L112-K116 HydrophobicContact CD1-CG 4.12Å; L112-K116 HydrophobicContact CD2-CD 4.5Å; L112-K116 HydrophobicContact CG-CD 3.99Å; L112-K116 HydrophobicContact CG-CG 4.35Å; L112-K116 WeakPolarHBondContact O-CB 3.28Å; L112-K116 PolarHBondContact O-N 3.49Å; K116-F195 HydrophobicContact CB-CZ 4.44Å; K116-F195 HydrophobicContact CD-CE1 4.43Å; K116-F195 HydrophobicContact CD-CZ 3.99Å; K116-F195 HydrophobicContact CG-CZ 4.38Å; K116-P385 WeakPolarHBondContact O-CB 3.42Å; K116-Y386 PolarHBondContact O-OH 3.1Å
117	H	93.3	Very high	92.7	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.037	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-6.6	-166.5	-48.6	-74.3	0	0	0	113.9	G113 F119 N161 A163 F195 R381 Y386	G113-H117 CarbonylContact O-C 3.13Å; G113-H117 WeakPolarHBondContact O-CA 3.32Å; G113-H117 PolarHBondContact O-N 3.24Å; H117-F119 VanDerWaalsContact C-N 3.27Å; H117-F119 HydrophobicContact CB-CD1 3.7Å; H117-F119 HydrophobicContact CB-CE1 3.46Å; H117-F119 VanDerWaalsContact CB-CE1 3.46Å; H117-F119 HydrophobicContact CB-CZ 4.27Å; H117-F119 WeakPolarHBondContact O-CD1 3.48Å; H117-F119 PolarHBondContact O-N 2.83Å; H117-N161 PolarHBondContact CE1-O 2.97Å; H117-N161 PolarHBondContact ND1-O 3.33Å; H117-A163 PolarHBondContact CE1-N 3.45Å; H117-A163 PolarHBondContact ND1-N 3.34Å; H117-F195 AromaticContact CE1-CE2 3.45Å; H117-F195 VanDerWaalsContact CE1-CE2 3.45Å; H117-F195 WeakPolarHBondContact CE1-CE2 3.07Å; H117-R381 VanDerWaalsContact O-CD 3.29Å; H117-R381 WeakPolarHBondContact O-CD 3.41Å; H117-R381 PolarHBondContact O-NE 2.95Å; H117-Y386 PolarHBondContact ND1-OH 3.45Å
118	A	93.1	Very high	92.8	Very high	5 Å²	5	37.3 Å²	37.3	4%	0.041	18%	0.184	C	C	.	.	S	Bend	trans	61.7	28.6	-180	0	0	0	0	0	115	G113 Y114 R381 R383	G113-A118 PolarHBondContact O-N 2.91Å; G113-A118 VanDerWaalsContact O-N 3.16Å; Y114-A118 WeakPolarHBondContact O-CA 3.45Å; Y114-A118 PolarHBondContact O-N 3.09Å; A118-R381 HydrophobicContact CB-CB 4.21Å; A118-R381 HydrophobicContact CB-CG 4.47Å; A118-R383 HydrophobicContact CB-CG 3.59Å; A118-R383 WeakPolarHBondContact CB-O 3.48Å
119	F	93.5	Very high	92.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-150.6	170.1	169.8	73.7	-94.6	0	0	0	110.7	G113 Y114 H117 M121 A163 A166 A279 L282 I379	G113-F119 CarbonylContact C-O 3.59Å; Y114-F119 PolarHBondContact N-O 2.94Å; H117-F119 VanDerWaalsContact C-N 3.27Å; H117-F119 HydrophobicContact CB-CD1 3.7Å; H117-F119 HydrophobicContact CB-CE1 3.46Å; H117-F119 VanDerWaalsContact CB-CE1 3.46Å; H117-F119 HydrophobicContact CB-CZ 4.27Å; H117-F119 WeakPolarHBondContact O-CD1 3.48Å; H117-F119 PolarHBondContact O-N 2.83Å; F119-M121 PolarHBondContact O-N 3.14Å; F119-A163 HydrophobicContact CE1-CB 4.09Å; F119-A163 HydrophobicContact CZ-CB 3.56Å; F119-A166 HydrophobicContact CZ-CB 3.85Å; F119-A279 CarbonylContact C-O 3.59Å; F119-A279 WeakPolarHBondContact CA-O 3.29Å; F119-A279 HydrophobicContact CB-CB 3.75Å; F119-A279 WeakPolarHBondContact CB-O 3.4Å; F119-L282 HydrophobicContact CD2-CD1 4.41Å; F119-I379 HydrophobicContact CB-CG2 4.07Å; F119-I379 HydrophobicContact CD1-CG2 4.47Å; F119-I379 HydrophobicContact CG-CG2 4.21Å
120	N	93	Very high	93	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.176	C	C	.	.			trans	-75.9	90.2	-176.2	-167.5	-20.1	0	0	0	112.6	Y114 L122 I123 S124 A279 D280 L282	Y114-N120 HydrophobicContact CE2-CB 3.97Å; N120-L122 VanDerWaalsContact C-N 3.3Å; N120-L122 PolarHBondContact O-N 3.18Å; N120-L122 WeakPolarHBondContact OD1-CB 3.4Å; N120-L122 PolarHBondContact OD1-N 2.84Å; N120-I123 HydrophobicContact CB-CD1 4.33Å; N120-I123 HydrophobicContact CB-CG1 4.48Å; N120-I123 WeakPolarHBondContact ND2-CD1 3.47Å; N120-I123 PolarHBondContact O-N 2.95Å; N120-I123 PolarHBondContact OD1-N 2.75Å; N120-S124 PolarHBondContact O-N 3.17Å; N120-A279 PolarHBondContact N-O 3.13Å; N120-D280 WeakPolarHBondContact CB-O 3.31Å; N120-D280 PolarHBondContact ND2-O 3.47Å; N120-L282 HydrophobicContact CB-CD2 3.98Å
121	M	93.5	Very high	93.1	Very high	19 Å²	19	36.9 Å²	36.9	9%	0.094	18%	0.178	C	C	.	.	H	α-helix	trans	-67	-28	179.9	-171.9	179.1	59.5	0	0	113.1	L109 L112 F119 I123 S124 N125	L109-M121 HydrophobicContact CD1-CE 3.36Å; L109-M121 HydrophobicContact CG-CE 3.92Å; L109-M121 WeakPolarHBondContact O-CE 3.38Å; L112-M121 HydrophobicContact CD2-CE 4.45Å; F119-M121 PolarHBondContact O-N 3.14Å; M121-I123 PolarHBondContact O-N 3.08Å; M121-S124 PolarHBondContact O-N 2.87Å; M121-N125 WeakPolarHBondContact O-CB 3.38Å; M121-N125 VanDerWaalsContact O-CG 3.3Å; M121-N125 PolarHBondContact O-N 3.37Å; M121-N125 PolarHBondContact O-OD1 3.33Å
122	L	94.4	Very high	93.1	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-57.6	-49.3	175.8	174	67.4	0	0	0	111	I101 D106 L109 R110 N120 N125 R126	I101-L122 HydrophobicContact CG1-CD2 4.18Å; D106-L122 HydrophobicContact CB-CD1 4.11Å; D106-L122 HydrophobicContact CB-CD2 3.98Å; L109-L122 HydrophobicContact CD2-CB 4.42Å; L109-L122 HydrophobicContact CD2-CD1 3.78Å; R110-L122 HydrophobicContact CB-CB 4.08Å; R110-L122 HydrophobicContact CB-CD2 4.35Å; N120-L122 VanDerWaalsContact C-N 3.3Å; N120-L122 PolarHBondContact O-N 3.18Å; N120-L122 WeakPolarHBondContact OD1-CB 3.4Å; N120-L122 PolarHBondContact OD1-N 2.84Å; L122-N125 PolarHBondContact O-N 3.2Å; L122-R126 WeakPolarHBondContact O-CG 3.45Å; L122-R126 PolarHBondContact O-N 3.46Å; L122-R126 VanDerWaalsContact O-N 3.12Å
123	I	94.2	Very high	93.3	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-64.7	-44.7	177.2	-64	178.6	0	0	0	110.5	L98 N120 M121 N125 R126 L127 D280 L282	L98-I123 HydrophobicContact CB-CG2 4.34Å; N120-I123 HydrophobicContact CB-CD1 4.33Å; N120-I123 HydrophobicContact CB-CG1 4.48Å; N120-I123 WeakPolarHBondContact ND2-CD1 3.47Å; N120-I123 PolarHBondContact O-N 2.95Å; N120-I123 PolarHBondContact OD1-N 2.75Å; M121-I123 PolarHBondContact O-N 3.08Å; I123-N125 VanDerWaalsContact C-N 3.32Å; I123-N125 PolarHBondContact O-N 3.38Å; I123-R126 PolarHBondContact O-N 3.05Å; I123-L127 HydrophobicContact CG2-CD1 3.69Å; I123-L127 HydrophobicContact CG2-CG 4.08Å; I123-L127 WeakPolarHBondContact O-CB 3.32Å; I123-L127 VanDerWaalsContact O-CG 3.3Å; I123-L127 WeakPolarHBondContact O-CG 3.47Å; I123-L127 PolarHBondContact O-N 3.45Å; I123-D280 VanDerWaalsContact CD1-O 3.25Å; I123-D280 WeakPolarHBondContact CD1-O 3.32Å; I123-L282 HydrophobicContact CB-CD2 3.92Å; I123-L282 HydrophobicContact CB-CG 4.33Å; I123-L282 HydrophobicContact CD1-CD2 4.49Å; I123-L282 HydrophobicContact CG2-CB 3.83Å; I123-L282 HydrophobicContact CG2-CD2 3.98Å; I123-L282 HydrophobicContact CG2-CG 3.94Å
124	S	95.4	Very high	93.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57	-46.8	178.5	-173.3	0	0	0	0	111.4	N120 M121 R126 L127 S165 R169	N120-S124 PolarHBondContact O-N 3.17Å; M121-S124 PolarHBondContact O-N 2.87Å; S124-R126 PolarHBondContact O-N 2.81Å; S124-L127 PolarHBondContact O-N 2.88Å; S124-S165 WeakPolarHBondContact CB-OG 3.29Å; S124-S165 PolarHBondContact OG-OG 2.78Å; S124-R169 PolarHBondContact O-NH2 2.97Å; S124-R169 PolarHBondContact OG-NH2 2.77Å; S124-R169 VanDerWaalsContact OG-NH2 3.08Å
125	N	95.1	Very high	93.6	Very high	71 Å²	71	41.1 Å²	41.1	38%	0.38	21%	0.208	S	C	.	.	H	α-helix	trans	-64.4	-41	179.9	-68.2	2.2	0	0	0	112	M121 L122 I123 L127 G128 S165	M121-N125 WeakPolarHBondContact O-CB 3.38Å; M121-N125 VanDerWaalsContact O-CG 3.3Å; M121-N125 PolarHBondContact O-N 3.37Å; M121-N125 PolarHBondContact O-OD1 3.33Å; L122-N125 PolarHBondContact O-N 3.2Å; I123-N125 VanDerWaalsContact C-N 3.32Å; I123-N125 PolarHBondContact O-N 3.38Å; N125-L127 VanDerWaalsContact C-N 3.34Å; N125-L127 PolarHBondContact O-N 3.19Å; N125-G128 PolarHBondContact O-N 2.84Å; N125-S165 VanDerWaalsContact OD1-CB 3.26Å; N125-S165 WeakPolarHBondContact OD1-CB 3.31Å; N125-S165 PolarHBondContact OD1-OG 3.07Å
126	R	94.6	Very high	93.8	Very high	69 Å²	69	35.5 Å²	35.5	26%	0.26	18%	0.183	S	C	.	.	H	α-helix	trans	-69	-28.1	178.8	-72.1	173.6	176.2	-177.4	-1.7	114.2	L98 M100 D106 L122 I123 S124 G128	L98-R126 HydrophobicContact CD2-CB 4.1Å; L98-R126 WeakPolarHBondContact O-CD 3.4Å; L98-R126 PolarHBondContact O-NH1 2.82Å; M100-R126 PolarHBondContact O-NH1 3.05Å; M100-R126 PolarHBondContact O-NH2 2.94Å; D106-R126 IonicContact OD1-CZ 3.83Å; D106-R126 IonicContact OD1-NH2 3.63Å; D106-R126 PolarHBondContact OD1-NH2 2.99Å; D106-R126 IonicContact OD2-NH2 3Å; D106-R126 PolarHBondContact OD2-NH2 2.87Å; L122-R126 WeakPolarHBondContact O-CG 3.45Å; L122-R126 PolarHBondContact O-N 3.46Å; L122-R126 VanDerWaalsContact O-N 3.12Å; I123-R126 PolarHBondContact O-N 3.05Å; S124-R126 PolarHBondContact O-N 2.81Å; R126-G128 PolarHBondContact O-N 3.19Å
127	L	92.9	Very high	93.9	Very high	2 Å²	2	33 Å²	33	1%	0.01	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-10.5	176.4	-76.5	167.3	0	0	0	113.2	F94 L98 I123 S124 N125 R131 L282	F94-L127 HydrophobicContact CD2-CD2 3.98Å; F94-L127 HydrophobicContact CE2-CD2 4.32Å; L98-L127 HydrophobicContact CD1-CD2 3.46Å; L98-L127 VanDerWaalsContact CD1-CD2 3.46Å; L98-L127 HydrophobicContact CD1-CG 4.11Å; I123-L127 HydrophobicContact CG2-CD1 3.69Å; I123-L127 HydrophobicContact CG2-CG 4.08Å; I123-L127 WeakPolarHBondContact O-CB 3.32Å; I123-L127 VanDerWaalsContact O-CG 3.3Å; I123-L127 WeakPolarHBondContact O-CG 3.47Å; I123-L127 PolarHBondContact O-N 3.45Å; S124-L127 PolarHBondContact O-N 2.88Å; N125-L127 VanDerWaalsContact C-N 3.34Å; N125-L127 PolarHBondContact O-N 3.19Å; L127-R131 VanDerWaalsContact CD1-NH1 3.27Å; L127-L282 HydrophobicContact CD1-CB 3.8Å; L127-L282 HydrophobicContact CD1-CG 4.32Å
128	G	93.1	Very high	93.8	Very high	28 Å²	28	35.9 Å²	35.9	29%	0.289	19%	0.187	S	C	.	.			trans	65.6	-162.9	-174.1	0	0	0	0	0	112.7	N125 R126 R169	N125-G128 PolarHBondContact O-N 2.84Å; R126-G128 PolarHBondContact O-N 3.19Å; G128-R169 PolarHBondContact O-NH1 2.99Å; G128-R169 PolarHBondContact O-NH2 3.34Å
129	Y	94.8	Very high	93.7	Very high	66 Å²	66	39 Å²	39	26%	0.259	21%	0.213	S	C	.	.	S	Bend	trans	-99.4	-19.9	178.6	-44.9	-42.5	0	0	0	113.4	L168 R169 Y205	Y129-L168 HydrophobicContact CD1-CB 3.75Å; Y129-L168 HydrophobicContact CD1-CD1 4.35Å; Y129-L168 HydrophobicContact CD2-CB 4.24Å; Y129-L168 HydrophobicContact CD2-CD1 4.01Å; Y129-L168 HydrophobicContact CE1-CB 4.08Å; Y129-L168 HydrophobicContact CE1-CD1 3.98Å; Y129-L168 HydrophobicContact CE2-CD1 3.58Å; Y129-L168 HydrophobicContact CG-CB 3.85Å; Y129-L168 HydrophobicContact CG-CD1 4.37Å; Y129-R169 WeakPolarHBondContact O-CA 3.06Å; Y129-R169 WeakPolarHBondContact O-CG 3.31Å; Y129-Y205 HydrophobicContact CD2-CE2 4.32Å; Y129-Y205 WeakPolarHBondContact CD2-OH 3.33Å; Y129-Y205 AromaticContact CE2-CE2 3.75Å; Y129-Y205 HydrophobicContact CE2-CE2 3.75Å; Y129-Y205 AromaticContact CE2-CZ 3.93Å
130	H	94.4	Very high	93.6	Very high	98 Å²	98	41.3 Å²	41.3	45%	0.454	23%	0.233	S	C	.	.			trans	-108.6	126.1	177	-56.7	-83.7	0	0	0	109.4	H172 D176	H130-H172 AromaticContact CE1-CE1 3.51Å; H130-H172 AromaticContact CE1-CG 3.43Å; H130-H172 VanDerWaalsContact CE1-CG 3.43Å; H130-H172 AromaticContact CE1-ND1 3.05Å; H130-H172 PolarHBondContact CE1-ND1 3.08Å; H130-H172 AromaticContact NE2-CE1 3.45Å; H130-H172 PolarHBondContact NE2-CE1 2.74Å; H130-H172 AromaticContact NE2-CG 3.79Å; H130-H172 AromaticContact NE2-ND1 3.48Å; H130-H172 PolarHBondContact NE2-ND1 2.64Å; H130-H172 AromaticContact NE2-NE2 3.85Å; H130-D176 IonicContact CE1-OD1 2.69Å; H130-D176 IonicContact CE1-OD2 2.94Å; H130-D176 IonicContact CG-OD2 3.08Å; H130-D176 IonicContact ND1-OD1 3.59Å; H130-D176 IonicContact ND1-OD2 3.91Å; H130-D176 PolarHBondContact ND1-OD2 3.19Å
131	R	92.9	Very high	93.6	Very high	23 Å²	23	41.3 Å²	41.3	9%	0.087	23%	0.233	C	C	.	.			trans	-153.2	152.9	169.2	71	175.6	-175.1	160	2.3	110.7	L127 R177 E249 L282	L127-R131 VanDerWaalsContact CD1-NH1 3.27Å; R131-R177 PolarHBondContact O-NH2 2.78Å; R131-E249 WeakPolarHBondContact CG-OE2 3.47Å; R131-E249 IonicContact CZ-OE1 2.9Å; R131-E249 VanDerWaalsContact CZ-OE1 3.26Å; R131-E249 IonicContact CZ-OE2 3.63Å; R131-E249 IonicContact NE-OE1 3.92Å; R131-E249 PolarHBondContact NE-OE1 3.46Å; R131-E249 IonicContact NE-OE2 2.84Å; R131-E249 PolarHBondContact NE-OE2 3.03Å; R131-E249 IonicContact NH2-OE1 2.74Å; R131-E249 PolarHBondContact NH2-OE1 2.65Å; R131-E249 IonicContact NH2-OE2 3.49Å; R131-E249 PolarHBondContact NH2-OE2 2.93Å; R131-L282 PolarHBondContact NH1-O 2.8Å; R131-L282 PolarHBondContact NH2-O 2.94Å
132	D	91.9	Very high	93.5	Very high	110 Å²	110	45.2 Å²	45.2	59%	0.588	25%	0.249	S	C	*	.			trans	-75.3	145	169.1	-68.2	-45.4	0	0	0	111.4	H91	H91-D132 IonicContact CE1-OD2 3.61Å; H91-D132 IonicContact CG-OD2 3.25Å; H91-D132 IonicContact ND1-OD2 3.3Å; H91-D132 PolarHBondContact ND1-OD2 3.37Å
133	V	94.4	Very high	93.3	Very high	20 Å²	20	51.9 Å²	51.9	12%	0.121	28%	0.28	C	S	.	.			trans	-121.9	146.9	173	-61.1	0	0	0	0	109.3	E249 Y284	V133-E249 HydrophobicContact CG1-CB 4.4Å; V133-E249 WeakPolarHBondContact CG1-OE2 3.28Å; V133-Y284 HydrophobicContact CB-CD2 4.01Å; V133-Y284 HydrophobicContact CB-CE2 4.34Å; V133-Y284 HydrophobicContact CB-CG 4.3Å; V133-Y284 HydrophobicContact CG1-CD2 3.92Å; V133-Y284 HydrophobicContact CG1-CE2 4.45Å; V133-Y284 HydrophobicContact CG1-CG 4.49Å
134	P	94.1	Very high	93.1	Very high	69 Å²	69	54.1 Å²	54.1	45%	0.448	29%	0.289	S	S	.	.			trans	-64.6	140.7	178.1	27.4	-34.3	0	0	0	111	T136 N251 Y284	P134-T136 HydrophobicContact CG-CG2 4.23Å; P134-T136 PolarHBondContact O-N 3.26Å; P134-N251 PolarHBondContact O-ND2 2.73Å; P134-Y284 HydrophobicContact CG-CD1 3.89Å; P134-Y284 HydrophobicContact CG-CG 4.39Å
135	D	94.9	Very high	92.9	Very high	51 Å²	51	63.3 Å²	63.3	27%	0.273	33%	0.33	S	S	.	.			trans	-73.6	96.2	170.1	-175.3	-1.3	0	0	0	109.6	R137 K142	D135-R137 VanDerWaalsContact C-N 3.3Å; D135-R137 VanDerWaalsContact OD1-CB 3.3Å; D135-R137 WeakPolarHBondContact OD1-CB 3.5Å; D135-R137 WeakPolarHBondContact OD1-CG 3.48Å; D135-R137 IonicContact OD1-CZ 2.66Å; D135-R137 PolarHBondContact OD1-N 2.93Å; D135-R137 IonicContact OD1-NE 3.63Å; D135-R137 PolarHBondContact OD1-NE 3.23Å; D135-R137 IonicContact OD1-NH2 3.56Å; D135-R137 IonicContact OD2-CZ 3.72Å; D135-R137 IonicContact OD2-NE 2.67Å; D135-R137 IonicContact OD2-NH2 3.98Å; D135-R137 PolarHBondContact OD2-NH2 3.31Å; D135-K142 WeakPolarHBondContact OD2-CE 3.43Å; D135-K142 IonicContact OD2-NZ 3.61Å; D135-K142 PolarHBondContact OD2-NZ 2.84Å
136	T	94.4	Very high	92.8	Very high	22 Å²	22	62.7 Å²	62.7	14%	0.135	32%	0.323	C	S	.	.			trans	-85.7	-1.3	-177.1	51.1	0	0	0	0	113.2	P134 N251 D275 Y284 R375	P134-T136 HydrophobicContact CG-CG2 4.23Å; P134-T136 PolarHBondContact O-N 3.26Å; T136-N251 PolarHBondContact OG1-ND2 3.01Å; T136-D275 WeakPolarHBondContact CB-OD2 3.46Å; T136-D275 PolarHBondContact OG1-OD2 3.22Å; T136-Y284 HydrophobicContact CG2-CD1 3.91Å; T136-Y284 HydrophobicContact CG2-CE1 3.55Å; T136-R375 PolarHBondContact O-NE 3.01Å; T136-R375 PolarHBondContact O-NH1 2.87Å; T136-R375 PolarHBondContact O-NH2 3.35Å; T136-R375 WeakPolarHBondContact OG1-CD 3.41Å
137	R	93.7	Very high	92.7	Very high	25 Å²	25	62.1 Å²	62.1	9%	0.094	33%	0.328	C	S	.	.	S	Bend	trans	-65.8	155.8	-178.8	-59.4	174.2	-61.9	154.6	2.8	110.7	D135 C141 M252 C373 R375	D135-R137 VanDerWaalsContact C-N 3.3Å; D135-R137 VanDerWaalsContact OD1-CB 3.3Å; D135-R137 WeakPolarHBondContact OD1-CB 3.5Å; D135-R137 WeakPolarHBondContact OD1-CG 3.48Å; D135-R137 IonicContact OD1-CZ 2.66Å; D135-R137 PolarHBondContact OD1-N 2.93Å; D135-R137 IonicContact OD1-NE 3.63Å; D135-R137 PolarHBondContact OD1-NE 3.23Å; D135-R137 IonicContact OD1-NH2 3.56Å; D135-R137 IonicContact OD2-CZ 3.72Å; D135-R137 IonicContact OD2-NE 2.67Å; D135-R137 IonicContact OD2-NH2 3.98Å; D135-R137 PolarHBondContact OD2-NH2 3.31Å; R137-C141 HydrophobicContact CB-CB 4.1Å; R137-M252 PolarHBondContact NE-O 2.63Å; R137-C373 WeakPolarHBondContact CD-O 3.33Å; R137-R375 HydrophobicContact CG-CG 4.04Å
138	N	91.2	Very high	92.5	Very high	69 Å²	69	67.6 Å²	67.6	37%	0.369	36%	0.363	S	S	.	.			trans	-59.4	141.4	169.8	-172.1	-62.1	0	0	0	109.3	A140 C141 T317	N138-A140 PolarHBondContact O-N 3.49Å; N138-A140 VanDerWaalsContact O-N 3.15Å; N138-A140 WeakPolarHBondContact OD1-CB 3.33Å; N138-A140 PolarHBondContact OD1-N 2.98Å; N138-C141 VanDerWaalsContact O-CB 3.23Å; N138-C141 WeakPolarHBondContact O-CB 3.32Å; N138-C141 PolarHBondContact O-N 3.45Å; N138-T317 HydrophobicContact CB-CG2 4.11Å
139	A	91.6	Very high	92.5	Very high	71 Å²	71	70.3 Å²	70.3	59%	0.587	37%	0.372	S	S	*	.	H	α-helix	trans	-52.9	-37.5	178.7	0	0	0	0	0	112.6	C141 K142	A139-C141 PolarHBondContact O-N 3.48Å; A139-K142 WeakPolarHBondContact O-CB 3.11Å; A139-K142 PolarHBondContact O-N 3.25Å
140	A	91.4	Very high	92.6	Very high	49 Å²	49	68 Å²	68	41%	0.405	36%	0.364	S	S	.	.	H	α-helix	trans	-65.4	-22.3	177.3	0	0	0	0	0	113.8	N138 K142 E143 T317	N138-A140 PolarHBondContact O-N 3.49Å; N138-A140 VanDerWaalsContact O-N 3.15Å; N138-A140 WeakPolarHBondContact OD1-CB 3.33Å; N138-A140 PolarHBondContact OD1-N 2.98Å; A140-K142 PolarHBondContact O-N 3.06Å; A140-E143 PolarHBondContact O-N 3.3Å; A140-T317 HydrophobicContact CB-CG2 3.82Å
141	C	93.6	Very high	92.8	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-69.3	-22.7	173.1	-66.9	0	0	0	0	112.8	R137 N138 A139 E143 K144 C373	R137-C141 HydrophobicContact CB-CB 4.1Å; N138-C141 VanDerWaalsContact O-CB 3.23Å; N138-C141 WeakPolarHBondContact O-CB 3.32Å; N138-C141 PolarHBondContact O-N 3.45Å; A139-C141 PolarHBondContact O-N 3.48Å; C141-E143 VanDerWaalsContact C-N 3.28Å; C141-K144 PolarHBondContact O-N 3.05Å; C141-C373 HydrophobicContact CB-CB 3.6Å; C141-C373 WeakPolarHBondContact CB-SG 3.19Å; C141-C373 WeakPolarHBondContact SG-CA 3.43Å; C141-C373 WeakPolarHBondContact SG-CB 3.34Å; C141-C373 CovalentContact SG-SG 2.04Å; C141-C373 PolarHBondContact SG-SG 2.79Å
142	K	90.7	Very high	93	Very high	100 Å²	100	64 Å²	64	44%	0.435	35%	0.351	S	S	.	.	H	α-helix	trans	-72.7	-26.8	179.9	-55.2	-171.6	-174.2	-156.9	0	112	D135 A139 A140	D135-K142 WeakPolarHBondContact OD2-CE 3.43Å; D135-K142 IonicContact OD2-NZ 3.61Å; D135-K142 PolarHBondContact OD2-NZ 2.84Å; A139-K142 WeakPolarHBondContact O-CB 3.11Å; A139-K142 PolarHBondContact O-N 3.25Å; A140-K142 PolarHBondContact O-N 3.06Å
143	E	89.3	Confident	93.3	Very high	143 Å²	143	58.8 Å²	58.8	67%	0.668	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-2.2	178.8	-52.1	-55.6	138.6	0	0	112.8	A140 C141 F145	A140-E143 PolarHBondContact O-N 3.3Å; C141-E143 VanDerWaalsContact C-N 3.28Å; E143-F145 WeakPolarHBondContact O-CD2 3.45Å; E143-F145 WeakPolarHBondContact O-CE2 3.47Å
144	K	90.8	Very high	93.5	Very high	50 Å²	50	57.9 Å²	57.9	22%	0.217	32%	0.318	C	S	.	.			trans	-77.6	131.7	178.1	-77.5	-163.8	169	-168.5	0	110.6	C141 Y146 E314 T317	C141-K144 PolarHBondContact O-N 3.05Å; K144-Y146 HydrophobicContact CB-CE2 4.1Å; K144-E314 IonicContact NZ-OE2 3.82Å; K144-E314 PolarHBondContact NZ-OE2 3.07Å; K144-T317 VanDerWaalsContact CE-OG1 3.24Å; K144-T317 WeakPolarHBondContact CE-OG1 3.12Å; K144-T317 PolarHBondContact NZ-O 3.33Å; K144-T317 PolarHBondContact NZ-OG1 3.19Å
145	F	91.2	Very high	93.8	Very high	193 Å²	193	54.6 Å²	54.6	85%	0.846	30%	0.296	S	S	*	.			trans	-99.7	137.3	173.1	-65.1	-87.2	0	0	0	110.1	E143	E143-F145 WeakPolarHBondContact O-CD2 3.45Å; E143-F145 WeakPolarHBondContact O-CE2 3.47Å
146	Y	92.9	Very high	94	Very high	58 Å²	58	52.2 Å²	52.2	23%	0.227	28%	0.283	C	S	.	.			trans	-115.6	146.6	176.2	-61.1	-75.9	0	0	0	109.6	K144 M253 Q256 P257 A260	K144-Y146 HydrophobicContact CB-CE2 4.1Å; Y146-M253 HydrophobicContact CD2-SD 3.88Å; Y146-M253 HydrophobicContact CE2-CG 4.49Å; Y146-M253 HydrophobicContact CE2-SD 3.62Å; Y146-Q256 HydrophobicContact CD2-CB 4.06Å; Y146-Q256 HydrophobicContact CG-CB 4.13Å; Y146-P257 HydrophobicContact CE1-CB 3.91Å; Y146-P257 HydrophobicContact CE1-CG 4.18Å; Y146-P257 HydrophobicContact CE2-CB 4.49Å; Y146-P257 HydrophobicContact CE2-CG 3.87Å; Y146-P257 WeakPolarHBondContact OH-CB 3.36Å; Y146-P257 WeakPolarHBondContact OH-CG 3.42Å; Y146-A260 HydrophobicContact CD1-CB 3.74Å; Y146-A260 HydrophobicContact CE1-CB 4.35Å
147	P	91.4	Very high	94.2	Very high	58 Å²	58	51.1 Å²	51.1	38%	0.377	28%	0.277	S	S	.	.			trans	-55.6	146	177	-24.2	33.9	0	0	0	111.6	D149 L150	P147-D149 VanDerWaalsContact C-N 3.32Å; P147-D149 WeakPolarHBondContact CB-OD1 3.16Å; P147-L150 VanDerWaalsContact O-CG 3.32Å; P147-L150 WeakPolarHBondContact O-CG 3.38Å
148	P	89.4	Confident	94.4	Very high	116 Å²	116	50.5 Å²	50.5	75%	0.753	28%	0.276	S	S	*	.	S	Bend	trans	-74.3	-23.5	178.1	29.7	-34.3	0	0	0	112.8	L150	P148-L150 VanDerWaalsContact C-N 3.32Å; P148-L150 PolarHBondContact O-N 3.31Å
149	D	93.6	Very high	94.7	Very high	86 Å²	86	47.4 Å²	47.4	46%	0.46	26%	0.26	S	S	.	.			trans	-92.7	48.1	-174.2	64.3	-27.1	0	0	0	112.6	P147 R263	P147-D149 VanDerWaalsContact C-N 3.32Å; P147-D149 WeakPolarHBondContact CB-OD1 3.16Å; D149-R263 VanDerWaalsContact CG-NH2 3.26Å; D149-R263 PolarHBondContact O-NH1 2.63Å; D149-R263 IonicContact OD1-CZ 2.8Å; D149-R263 VanDerWaalsContact OD1-CZ 3.32Å; D149-R263 IonicContact OD1-NE 2.8Å; D149-R263 IonicContact OD1-NH1 2.65Å; D149-R263 PolarHBondContact OD1-NH1 3.24Å; D149-R263 IonicContact OD1-NH2 3.7Å; D149-R263 PolarHBondContact OD1-NH2 3.32Å; D149-R263 IonicContact OD2-CZ 2.63Å; D149-R263 IonicContact OD2-NH1 3.6Å; D149-R263 PolarHBondContact OD2-NH1 3.08Å; D149-R263 IonicContact OD2-NH2 3.7Å; D149-R263 PolarHBondContact OD2-NH2 3.46Å
150	L	97.5	Very high	94.9	Very high	17 Å²	17	46.4 Å²	46.4	9%	0.089	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-75.1	147.5	177.5	-65.2	172.2	0	0	0	112	P147 P148 L182 Q256 L259 A260	P147-L150 VanDerWaalsContact O-CG 3.32Å; P147-L150 WeakPolarHBondContact O-CG 3.38Å; P148-L150 VanDerWaalsContact C-N 3.32Å; P148-L150 PolarHBondContact O-N 3.31Å; L150-L182 HydrophobicContact CB-CD2 3.66Å; L150-L182 HydrophobicContact CD1-CD1 4.34Å; L150-Q256 HydrophobicContact CD1-CB 3.83Å; L150-Q256 HydrophobicContact CD1-CG 4.06Å; L150-L259 HydrophobicContact CB-CB 4.1Å; L150-L259 HydrophobicContact CB-CD1 4.16Å; L150-L259 HydrophobicContact CD1-CB 4.18Å; L150-L259 HydrophobicContact CD2-CB 4.14Å; L150-L259 HydrophobicContact CG-CB 4.37Å; L150-A260 HydrophobicContact CD2-CB 4.05Å
151	P	97.8	Very high	95.1	Very high	17 Å²	17	44.3 Å²	44.3	11%	0.11	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-65.7	144.6	177.6	27.7	-35.4	0	0	0	111.4	E239 V240 L259	P151-E239 HydrophobicContact CB-CB 4.02Å; P151-V240 HydrophobicContact CB-CG2 4.06Å; P151-V240 HydrophobicContact CG-CG2 3.8Å; P151-L259 HydrophobicContact CG-CB 4.44Å; P151-L259 HydrophobicContact CG-CD2 4.42Å; P151-L259 VanDerWaalsContact O-CD1 3.31Å; P151-L259 WeakPolarHBondContact O-CD1 3.17Å
152	A	97.8	Very high	95.3	Very high	21 Å²	21	44.4 Å²	44.4	17%	0.174	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-75.6	144.6	178.6	0	0	0	0	0	112	H184 E239 V240	A152-H184 HydrophobicContact CB-CB 4.05Å; A152-E239 PolarHBondContact O-N 2.85Å; A152-V240 PolarHBondContact O-N 2.87Å; A152-V240 VanDerWaalsContact O-N 3.16Å
153	A	98.4	Very high	95.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.8	-172.7	0	0	0	0	0	113	L182 H184 V240 V242 L255 L259	A153-L182 PolarHBondContact N-O 2.74Å; A153-H184 VanDerWaalsContact O-CB 3.3Å; A153-H184 WeakPolarHBondContact O-CB 3.2Å; A153-H184 PolarHBondContact O-N 3.3Å; A153-V240 CarbonylContact C-O 3.52Å; A153-V240 VanDerWaalsContact CA-O 3.32Å; A153-V240 WeakPolarHBondContact CA-O 3.47Å; A153-V240 HydrophobicContact CB-CB 4.35Å; A153-V242 HydrophobicContact CB-CG2 3.82Å; A153-L255 HydrophobicContact CB-CD1 4.38Å; A153-L255 HydrophobicContact CB-CD2 4.15Å; A153-L259 HydrophobicContact CB-CD2 4.2Å
154	S	98.8	Very high	96	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	118.3	163.8	-64.8	0	0	0	0	109	E185 G238 V240 V242	S154-E185 WeakPolarHBondContact CA-O 3.46Å; S154-E185 WeakPolarHBondContact OG-CG 3.46Å; S154-E185 PolarHBondContact OG-OE1 2.63Å; S154-G238 WeakPolarHBondContact OG-CA 3.49Å; S154-G238 PolarHBondContact OG-N 3.27Å; S154-V240 PolarHBondContact N-O 2.89Å; S154-V242 PolarHBondContact O-N 3.21Å
155	V	98.8	Very high	96.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119.5	177.7	-177.4	0	0	0	0	109	I157 V174 L183 E185 I186 I187 V242 L244	V155-I157 HydrophobicContact CG1-CD1 4.33Å; V155-I157 HydrophobicContact CG1-CG1 4.15Å; V155-V174 HydrophobicContact CG1-CG2 4.5Å; V155-V174 HydrophobicContact CG2-CG1 4.08Å; V155-L183 HydrophobicContact CG2-CD1 3.73Å; V155-E185 PolarHBondContact N-O 2.83Å; V155-I186 HydrophobicContact CB-CG1 4.38Å; V155-I186 CarbonylContact O-C 3.13Å; V155-I186 WeakPolarHBondContact O-CA 3.48Å; V155-I187 PolarHBondContact O-N 3.44Å; V155-V242 CarbonylContact C-O 3.59Å; V155-V242 VanDerWaalsContact CA-O 3.32Å; V155-V242 WeakPolarHBondContact CA-O 3.38Å; V155-V242 HydrophobicContact CG2-CB 4.24Å; V155-L244 HydrophobicContact CG1-CD1 3.8Å; V155-L244 HydrophobicContact CG1-CG 4.17Å
156	V	98.9	Very high	96.6	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.3	-179.9	-179.4	0	0	0	0	109.1	I187 V189 V242 F243 L244	V156-I187 HydrophobicContact CG2-CB 4.47Å; V156-V189 HydrophobicContact CG1-CG2 4.29Å; V156-V242 PolarHBondContact N-O 2.9Å; V156-F243 HydrophobicContact CB-CD1 3.82Å; V156-F243 HydrophobicContact CB-CE1 3.98Å; V156-F243 HydrophobicContact CG1-CD1 4.03Å; V156-F243 HydrophobicContact CG1-CE1 4.03Å; V156-F243 HydrophobicContact CG2-CE1 4.31Å; V156-L244 PolarHBondContact O-N 3.4Å
157	I	98.8	Very high	96.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	109.2	178.5	-59	166.5	0	0	0	108	V155 L167 T170 V171 I186 I187 L188 V189 L244	V155-I157 HydrophobicContact CG1-CD1 4.33Å; V155-I157 HydrophobicContact CG1-CG1 4.15Å; I157-L167 HydrophobicContact CG2-CD1 4.22Å; I157-T170 HydrophobicContact CD1-CG2 4.01Å; I157-V171 HydrophobicContact CD1-CG2 4.29Å; I157-I186 HydrophobicContact CD1-CG2 3.96Å; I157-I187 PolarHBondContact N-O 2.87Å; I157-L188 HydrophobicContact CB-CD2 3.83Å; I157-L188 HydrophobicContact CD1-CD2 3.96Å; I157-L188 HydrophobicContact CG1-CD2 4.4Å; I157-L188 HydrophobicContact CG2-CD2 4.32Å; I157-L188 CarbonylContact O-C 3.55Å; I157-L188 WeakPolarHBondContact O-CA 3.33Å; I157-V189 PolarHBondContact O-N 3.49Å; I157-L244 HydrophobicContact CG1-CB 4.12Å
158	C	97.8	Very high	97.2	Very high	11 Å²	11	16.9 Å²	16.9	7%	0.074	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	136.6	173.3	-57.7	0	0	0	0	109.6	V189 L225 R229	C158-V189 WeakPolarHBondContact CA-O 3.49Å; C158-V189 HydrophobicContact CB-CB 4.48Å; C158-L225 HydrophobicContact CB-CD1 4.18Å; C158-R229 VanDerWaalsContact SG-CG 3.53Å; C158-R229 PolarHBondContact SG-N 2.87Å; C158-R229 VanDerWaalsContact SG-N 3.37Å
159	F	97.8	Very high	97.6	Very high	5 Å²	5	11.6 Å²	11.6	2%	0.022	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150.9	179.3	69.4	-83.8	0	0	0	111.6	E162 L167 L188 V189 D190 D191 L198 L202	F159-E162 HydrophobicContact CB-CB 4.12Å; F159-L167 HydrophobicContact CB-CD1 4.34Å; F159-L167 HydrophobicContact CD1-CD1 4.23Å; F159-L167 HydrophobicContact CD1-CD2 4.34Å; F159-L167 HydrophobicContact CD2-CD2 4.1Å; F159-L167 HydrophobicContact CE1-CD2 4.39Å; F159-L167 HydrophobicContact CE2-CD2 4.13Å; F159-L167 HydrophobicContact CG-CD1 4.27Å; F159-L167 HydrophobicContact CG-CD2 4.19Å; F159-L167 HydrophobicContact CZ-CD2 4.25Å; F159-L188 HydrophobicContact CE1-CB 3.93Å; F159-V189 WeakPolarHBondContact CD1-O 3.39Å; F159-V189 PolarHBondContact N-O 3.32Å; F159-D190 HydrophobicContact CE1-CB 3.89Å; F159-D190 HydrophobicContact CE2-CB 3.86Å; F159-D190 HydrophobicContact CZ-CB 3.43Å; F159-D190 VanDerWaalsContact CZ-CB 3.43Å; F159-D191 PolarHBondContact O-N 2.94Å; F159-L198 HydrophobicContact CD2-CD1 4.23Å; F159-L198 HydrophobicContact CD2-CD2 4.32Å; F159-L198 HydrophobicContact CE2-CB 4.21Å; F159-L198 HydrophobicContact CE2-CD1 4.22Å; F159-L198 HydrophobicContact CE2-CD2 4.07Å; F159-L198 HydrophobicContact CE2-CG 4.41Å; F159-L202 HydrophobicContact CE1-CD2 4.43Å; F159-L202 HydrophobicContact CE2-CD2 4.26Å; F159-L202 HydrophobicContact CZ-CD2 3.68Å
160	Y	96.7	Very high	97.8	Very high	49 Å²	49	7.6 Å²	7.6	19%	0.192	4%	0.041	C	C	.	.	S	Bend	trans	-145	118	172.2	173.2	-110.5	0	0	0	107.8	E162 D191 D192 S193 D194 Y386	Y160-E162 PolarHBondContact O-N 3.24Å; Y160-E162 VanDerWaalsContact O-N 3.11Å; Y160-D191 WeakPolarHBondContact CD2-O 3.49Å; Y160-D192 VanDerWaalsContact CE2-O 3.31Å; Y160-D192 WeakPolarHBondContact CE2-O 3.2Å; Y160-S193 WeakPolarHBondContact CA-OG 3.4Å; Y160-D194 PolarHBondContact OH-OD2 3.27Å; Y160-Y386 AromaticContact CD1-CD2 3.63Å; Y160-Y386 HydrophobicContact CD1-CD2 3.63Å; Y160-Y386 HydrophobicContact CD1-CE2 4.36Å; Y160-Y386 AromaticContact CD1-CG 3.79Å; Y160-Y386 HydrophobicContact CD1-CG 3.79Å; Y160-Y386 HydrophobicContact CE1-CD1 4.1Å; Y160-Y386 AromaticContact CE1-CD2 3.98Å; Y160-Y386 HydrophobicContact CE1-CD2 3.98Å; Y160-Y386 AromaticContact CE1-CG 3.64Å; Y160-Y386 HydrophobicContact CE1-CG 3.64Å; Y160-Y386 VanDerWaalsContact O-CE2 3.29Å; Y160-Y386 WeakPolarHBondContact O-CE2 3.4Å
161	N	96.3	Very high	97.9	Very high	5 Å²	5	6.8 Å²	6.8	3%	0.027	4%	0.037	C	C	.	.	S	Bend	trans	52.2	32.8	-179.8	-75	-20.9	0	0	0	113.4	H117 S193 D194 F195 Y386	H117-N161 PolarHBondContact CE1-O 2.97Å; H117-N161 PolarHBondContact ND1-O 3.33Å; N161-S193 PolarHBondContact N-OG 3.14Å; N161-D194 PolarHBondContact ND2-OD2 3.46Å; N161-D194 PolarHBondContact OD1-N 3.29Å; N161-F195 HydrophobicContact CB-CD2 3.85Å; N161-F195 HydrophobicContact CB-CE2 3.53Å; N161-F195 HydrophobicContact CB-CZ 4Å; N161-F195 VanDerWaalsContact O-CE2 3.31Å; N161-F195 WeakPolarHBondContact O-CE2 3.47Å; N161-F195 PolarHBondContact OD1-N 2.91Å; N161-Y386 HydrophobicContact CB-CD1 4.42Å; N161-Y386 HydrophobicContact CB-CD2 4.31Å; N161-Y386 HydrophobicContact CB-CE1 3.76Å; N161-Y386 HydrophobicContact CB-CE2 3.6Å; N161-Y386 PolarHBondContact O-OH 2.7Å
162	E	97.4	Very high	97.9	Very high	2 Å²	2	6.5 Å²	6.5	1%	0.009	3%	0.034	C	C	.	.			trans	-67.4	149.5	178.7	-171.2	55.8	-90.4	0	0	111.8	F159 Y160 F164 L167 L198 S246 H247 R381	F159-E162 HydrophobicContact CB-CB 4.12Å; Y160-E162 PolarHBondContact O-N 3.24Å; Y160-E162 VanDerWaalsContact O-N 3.11Å; E162-F164 PolarHBondContact O-N 3.02Å; E162-L167 HydrophobicContact CB-CB 4.44Å; E162-L167 HydrophobicContact CG-CB 3.97Å; E162-L198 WeakPolarHBondContact O-CD1 3.45Å; E162-S246 PolarHBondContact OE2-OG 3.23Å; E162-H247 IonicContact OE2-CE1 2.64Å; E162-H247 IonicContact OE2-CG 2.82Å; E162-H247 IonicContact OE2-ND1 2.74Å; E162-H247 PolarHBondContact OE2-ND1 3.26Å; E162-R381 IonicContact OE1-CZ 2.73Å; E162-R381 IonicContact OE1-NH1 2.77Å; E162-R381 IonicContact OE1-NH2 3.86Å; E162-R381 PolarHBondContact OE1-NH2 3.23Å; E162-R381 IonicContact OE2-CZ 3.1Å; E162-R381 IonicContact OE2-NH1 3.76Å; E162-R381 IonicContact OE2-NH2 2.7Å; E162-R381 PolarHBondContact OE2-NH2 3.08Å
163	A	96.8	Very high	97.9	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.008	3%	0.027	C	C	.	.			trans	-65.6	127.8	170	0	0	0	0	0	109.7	H117 F119 S165 A166 L167	H117-A163 PolarHBondContact CE1-N 3.45Å; H117-A163 PolarHBondContact ND1-N 3.34Å; F119-A163 HydrophobicContact CE1-CB 4.09Å; F119-A163 HydrophobicContact CZ-CB 3.56Å; A163-S165 PolarHBondContact O-N 2.85Å; A163-S165 VanDerWaalsContact O-N 3.12Å; A163-A166 HydrophobicContact CB-CB 4.29Å; A163-A166 PolarHBondContact O-N 2.95Å; A163-L167 PolarHBondContact O-N 2.95Å
164	F	97.1	Very high	97.9	Very high	19 Å²	19	5.7 Å²	5.7	8%	0.083	3%	0.027	C	C	.	.	H	α-helix	trans	-49.8	-43.3	-177.1	-165	-100.2	0	0	0	113.3	E162 A166 L167 L168 D197 L198 E201 L202 Y205	E162-F164 PolarHBondContact O-N 3.02Å; F164-A166 PolarHBondContact O-N 3.46Å; F164-L167 PolarHBondContact O-N 3.47Å; F164-L168 HydrophobicContact CD1-CD1 3.79Å; F164-L168 HydrophobicContact CD1-CG 4.45Å; F164-L168 HydrophobicContact CE1-CD1 3.23Å; F164-L168 HydrophobicContact CE1-CG 4.19Å; F164-L168 HydrophobicContact CE2-CD1 4.49Å; F164-L168 HydrophobicContact CZ-CD1 3.65Å; F164-L168 HydrophobicContact CZ-CG 4.4Å; F164-L168 PolarHBondContact O-N 3.14Å; F164-D197 HydrophobicContact CD2-CB 4.19Å; F164-D197 WeakPolarHBondContact CD2-O 3.31Å; F164-D197 VanDerWaalsContact CE2-O 3.24Å; F164-D197 WeakPolarHBondContact CE2-O 3.45Å; F164-L198 HydrophobicContact CD2-CD2 4.33Å; F164-E201 HydrophobicContact CE2-CG 4.31Å; F164-E201 HydrophobicContact CZ-CG 4.12Å; F164-L202 HydrophobicContact CE2-CB 4.03Å; F164-L202 HydrophobicContact CE2-CD1 4.13Å; F164-Y205 HydrophobicContact CZ-CG 4.46Å
165	S	97	Very high	97.8	Very high	3 Å²	3	8.3 Å²	8.3	2%	0.021	4%	0.041	C	C	.	.	H	α-helix	trans	-68.8	-31	179	59.8	0	0	0	0	114.6	S124 N125 A163 R169	S124-S165 WeakPolarHBondContact CB-OG 3.29Å; S124-S165 PolarHBondContact OG-OG 2.78Å; N125-S165 VanDerWaalsContact OD1-CB 3.26Å; N125-S165 WeakPolarHBondContact OD1-CB 3.31Å; N125-S165 PolarHBondContact OD1-OG 3.07Å; A163-S165 PolarHBondContact O-N 2.85Å; A163-S165 VanDerWaalsContact O-N 3.12Å; S165-R169 WeakPolarHBondContact O-CB 3.47Å; S165-R169 PolarHBondContact O-N 3.4Å; S165-R169 VanDerWaalsContact O-N 3.16Å
166	A	97.8	Very high	97.7	Very high	2 Å²	2	12.3 Å²	12.3	2%	0.017	6%	0.062	C	C	.	.	H	α-helix	trans	-76.4	-40.1	176.1	0	0	0	0	0	111.5	F119 A163 F164 R169 T170 S246 H247 I379	F119-A166 HydrophobicContact CZ-CB 3.85Å; A163-A166 HydrophobicContact CB-CB 4.29Å; A163-A166 PolarHBondContact O-N 2.95Å; F164-A166 PolarHBondContact O-N 3.46Å; A166-R169 PolarHBondContact O-N 3.11Å; A166-T170 PolarHBondContact O-N 3.37Å; A166-T170 PolarHBondContact O-OG1 3.06Å; A166-S246 CarbonylContact C-O 3.54Å; A166-H247 HydrophobicContact CB-CB 4.33Å; A166-I379 HydrophobicContact CB-CD1 4.45Å
167	L	98.4	Very high	97.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.6	-54.3	175.8	177.3	61.5	0	0	0	110.9	I157 F159 E162 A163 F164 R169 T170 V171 L198 L202 S246	I157-L167 HydrophobicContact CG2-CD1 4.22Å; F159-L167 HydrophobicContact CB-CD1 4.34Å; F159-L167 HydrophobicContact CD1-CD1 4.23Å; F159-L167 HydrophobicContact CD1-CD2 4.34Å; F159-L167 HydrophobicContact CD2-CD2 4.1Å; F159-L167 HydrophobicContact CE1-CD2 4.39Å; F159-L167 HydrophobicContact CE2-CD2 4.13Å; F159-L167 HydrophobicContact CG-CD1 4.27Å; F159-L167 HydrophobicContact CG-CD2 4.19Å; F159-L167 HydrophobicContact CZ-CD2 4.25Å; E162-L167 HydrophobicContact CB-CB 4.44Å; E162-L167 HydrophobicContact CG-CB 3.97Å; A163-L167 PolarHBondContact O-N 2.95Å; F164-L167 PolarHBondContact O-N 3.47Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.59Å; L167-T170 WeakPolarHBondContact O-CB 3.28Å; L167-T170 PolarHBondContact O-N 2.88Å; L167-T170 VanDerWaalsContact O-N 3.1Å; L167-V171 WeakPolarHBondContact O-CG2 3.14Å; L167-V171 PolarHBondContact O-N 2.94Å; L167-V171 VanDerWaalsContact O-N 3.08Å; L167-L198 HydrophobicContact CD2-CD2 3.81Å; L167-L202 HydrophobicContact CD2-CD1 4.32Å; L167-L202 HydrophobicContact CD2-CD2 3.94Å; L167-S246 WeakPolarHBondContact CA-O 3.31Å; L167-S246 PolarHBondContact N-O 3.42Å
168	L	98.1	Very high	97.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.3	-35.9	-179.2	-73.5	-175.3	0	0	0	112.7	Y129 F164 T170 V171 H172 L202 Y205	Y129-L168 HydrophobicContact CD1-CB 3.75Å; Y129-L168 HydrophobicContact CD1-CD1 4.35Å; Y129-L168 HydrophobicContact CD2-CB 4.24Å; Y129-L168 HydrophobicContact CD2-CD1 4.01Å; Y129-L168 HydrophobicContact CE1-CB 4.08Å; Y129-L168 HydrophobicContact CE1-CD1 3.98Å; Y129-L168 HydrophobicContact CE2-CD1 3.58Å; Y129-L168 HydrophobicContact CG-CB 3.85Å; Y129-L168 HydrophobicContact CG-CD1 4.37Å; F164-L168 HydrophobicContact CD1-CD1 3.79Å; F164-L168 HydrophobicContact CD1-CG 4.45Å; F164-L168 HydrophobicContact CE1-CD1 3.23Å; F164-L168 HydrophobicContact CE1-CG 4.19Å; F164-L168 HydrophobicContact CE2-CD1 4.49Å; F164-L168 HydrophobicContact CZ-CD1 3.65Å; F164-L168 HydrophobicContact CZ-CG 4.4Å; F164-L168 PolarHBondContact O-N 3.14Å; L168-T170 VanDerWaalsContact C-N 3.27Å; L168-T170 PolarHBondContact O-N 2.9Å; L168-V171 PolarHBondContact O-N 3.33Å; L168-H172 WeakPolarHBondContact O-CB 3.41Å; L168-H172 PolarHBondContact O-CD2 3.16Å; L168-H172 PolarHBondContact O-N 3.37Å; L168-L202 HydrophobicContact CD2-CD1 4.08Å; L168-Y205 HydrophobicContact CD1-CD1 3.86Å; L168-Y205 HydrophobicContact CD1-CD2 3.99Å; L168-Y205 HydrophobicContact CD1-CE1 3.77Å; L168-Y205 HydrophobicContact CD1-CE2 3.86Å; L168-Y205 HydrophobicContact CD1-CG 4Å; L168-Y205 HydrophobicContact CD2-CD1 3.7Å; L168-Y205 HydrophobicContact CD2-CE1 3.75Å; L168-Y205 HydrophobicContact CD2-CG 4.49Å; L168-Y205 HydrophobicContact CG-CD1 4.47Å; L168-Y205 HydrophobicContact CG-CE1 4.39Å
169	R	98.1	Very high	97.4	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.015	8%	0.078	C	C	.	.	H	α-helix	trans	-62.4	-36.3	173.1	-169	-165.6	-43.7	-77.2	-11.4	112.1	S124 G128 Y129 S165 A166 L167 S173 E249	S124-R169 PolarHBondContact O-NH2 2.97Å; S124-R169 PolarHBondContact OG-NH2 2.77Å; S124-R169 VanDerWaalsContact OG-NH2 3.08Å; G128-R169 PolarHBondContact O-NH1 2.99Å; G128-R169 PolarHBondContact O-NH2 3.34Å; Y129-R169 WeakPolarHBondContact O-CA 3.06Å; Y129-R169 WeakPolarHBondContact O-CG 3.31Å; S165-R169 WeakPolarHBondContact O-CB 3.47Å; S165-R169 PolarHBondContact O-N 3.4Å; S165-R169 VanDerWaalsContact O-N 3.16Å; A166-R169 PolarHBondContact O-N 3.11Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.59Å; R169-S173 WeakPolarHBondContact O-CB 3.1Å; R169-S173 PolarHBondContact O-N 2.89Å; R169-E249 WeakPolarHBondContact CD-OE1 3.2Å; R169-E249 WeakPolarHBondContact CD-OE2 3.12Å; R169-E249 HydrophobicContact CG-CG 4.06Å
170	T	98.7	Very high	97.3	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-63	-47.8	174.2	-54.2	0	0	0	0	111	I157 A166 L167 L168 S173 V174 S246 H247 C248	I157-T170 HydrophobicContact CD1-CG2 4.01Å; A166-T170 PolarHBondContact O-N 3.37Å; A166-T170 PolarHBondContact O-OG1 3.06Å; L167-T170 WeakPolarHBondContact O-CB 3.28Å; L167-T170 PolarHBondContact O-N 2.88Å; L167-T170 VanDerWaalsContact O-N 3.1Å; L168-T170 VanDerWaalsContact C-N 3.27Å; L168-T170 PolarHBondContact O-N 2.9Å; T170-S173 PolarHBondContact O-N 3.38Å; T170-V174 WeakPolarHBondContact O-CG2 3.32Å; T170-V174 PolarHBondContact O-N 2.95Å; T170-V174 VanDerWaalsContact O-N 3.14Å; T170-S246 VanDerWaalsContact OG1-C 3.27Å; T170-S246 PolarHBondContact OG1-O 2.91Å; T170-S246 VanDerWaalsContact OG1-O 3.11Å; T170-H247 WeakPolarHBondContact OG1-CA 3.23Å; T170-H247 PolarHBondContact OG1-N 3.4Å; T170-C248 WeakPolarHBondContact CA-O 3.41Å; T170-C248 WeakPolarHBondContact CB-O 3.38Å; T170-C248 HydrophobicContact CG2-CB 3.96Å; T170-C248 PolarHBondContact OG1-N 2.69Å; T170-C248 PolarHBondContact OG1-O 2.95Å; T170-C248 VanDerWaalsContact OG1-O 3.08Å
171	V	98.3	Very high	97.2	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-60	-52.4	178.8	173.1	0	0	0	0	111.5	I157 L167 L168 S173 V174 I175 I186 L188 L210 I214	I157-V171 HydrophobicContact CD1-CG2 4.29Å; L167-V171 WeakPolarHBondContact O-CG2 3.14Å; L167-V171 PolarHBondContact O-N 2.94Å; L167-V171 VanDerWaalsContact O-N 3.08Å; L168-V171 PolarHBondContact O-N 3.33Å; V171-S173 PolarHBondContact O-N 2.03Å; V171-V174 WeakPolarHBondContact O-CB 3.13Å; V171-V174 PolarHBondContact O-N 2.91Å; V171-I175 HydrophobicContact CG1-CD1 3.9Å; V171-I175 WeakPolarHBondContact O-CG1 3.5Å; V171-I175 PolarHBondContact O-N 2.83Å; V171-I175 VanDerWaalsContact O-N 3.07Å; V171-I186 HydrophobicContact CG1-CD1 4.28Å; V171-L188 HydrophobicContact CG2-CD1 4.15Å; V171-L188 HydrophobicContact CG2-CD2 3.79Å; V171-L210 HydrophobicContact CG1-CD1 3.78Å; V171-I214 HydrophobicContact CG1-CD1 3.44Å; V171-I214 VanDerWaalsContact CG1-CD1 3.44Å
172	H	97.9	Very high	97.3	Very high	11 Å²	11	22.4 Å²	22.4	5%	0.051	13%	0.125	C	C	.	.	H	α-helix	trans	-64.8	-39.7	179.7	-77.8	-69.1	0	0	0	112.3	H130 L168 V174 I175 D176 Y205	H130-H172 AromaticContact CE1-CE1 3.51Å; H130-H172 AromaticContact CE1-CG 3.43Å; H130-H172 VanDerWaalsContact CE1-CG 3.43Å; H130-H172 AromaticContact CE1-ND1 3.05Å; H130-H172 PolarHBondContact CE1-ND1 3.08Å; H130-H172 AromaticContact NE2-CE1 3.45Å; H130-H172 PolarHBondContact NE2-CE1 2.74Å; H130-H172 AromaticContact NE2-CG 3.79Å; H130-H172 AromaticContact NE2-ND1 3.48Å; H130-H172 PolarHBondContact NE2-ND1 2.64Å; H130-H172 AromaticContact NE2-NE2 3.85Å; L168-H172 WeakPolarHBondContact O-CB 3.41Å; L168-H172 PolarHBondContact O-CD2 3.16Å; L168-H172 PolarHBondContact O-N 3.37Å; H172-V174 VanDerWaalsContact C-N 3.25Å; H172-V174 PolarHBondContact O-N 3.2Å; H172-I175 PolarHBondContact O-N 3.04Å; H172-D176 VanDerWaalsContact O-CB 3.32Å; H172-D176 WeakPolarHBondContact O-CB 3.47Å; H172-D176 PolarHBondContact O-N 2.81Å; H172-Y205 AromaticContact NE2-CE1 3.84Å; H172-Y205 AromaticContact NE2-CZ 3.83Å; H172-Y205 PolarHBondContact NE2-OH 2.94Å
173	S	98.2	Very high	97.3	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.028	13%	0.126	C	C	.	.	H	α-helix	trans	-56.9	-40	174.9	-171.2	0	0	0	0	112.3	R169 T170 V171 R177 E249 V250	R169-S173 WeakPolarHBondContact O-CB 3.1Å; R169-S173 PolarHBondContact O-N 2.89Å; T170-S173 PolarHBondContact O-N 3.38Å; V171-S173 PolarHBondContact O-N 2.03Å; S173-R177 WeakPolarHBondContact O-CB 3.25Å; S173-R177 PolarHBondContact O-N 3.01Å; S173-R177 PolarHBondContact OG-NH1 3.39Å; S173-E249 WeakPolarHBondContact OG-CA 3.23Å; S173-V250 WeakPolarHBondContact O-CG2 3.48Å; S173-V250 PolarHBondContact OG-N 3.29Å; S173-V250 PolarHBondContact OG-O 3.24Å
174	V	98.4	Very high	97.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-46.2	174	171.2	0	0	0	0	111.3	V155 T170 V171 H172 T178 L183 I186 L244 V250 W254	V155-V174 HydrophobicContact CG1-CG2 4.5Å; V155-V174 HydrophobicContact CG2-CG1 4.08Å; T170-V174 WeakPolarHBondContact O-CG2 3.32Å; T170-V174 PolarHBondContact O-N 2.95Å; T170-V174 VanDerWaalsContact O-N 3.14Å; V171-V174 WeakPolarHBondContact O-CB 3.13Å; V171-V174 PolarHBondContact O-N 2.91Å; H172-V174 VanDerWaalsContact C-N 3.25Å; H172-V174 PolarHBondContact O-N 3.2Å; V174-T178 WeakPolarHBondContact O-CB 3.48Å; V174-T178 PolarHBondContact O-N 3.47Å; V174-T178 PolarHBondContact O-OG1 2.74Å; V174-L183 HydrophobicContact CG1-CD1 4Å; V174-L183 HydrophobicContact CG1-CD2 4.26Å; V174-I186 HydrophobicContact CB-CD1 4.25Å; V174-I186 HydrophobicContact CG1-CD1 3.85Å; V174-I186 HydrophobicContact CG1-CG1 4.32Å; V174-L244 HydrophobicContact CG2-CD1 3.6Å; V174-V250 HydrophobicContact CG2-CG1 4.1Å; V174-W254 HydrophobicContact CG1-CZ2 4.44Å; V174-W254 HydrophobicContact CG2-CZ2 4.34Å
175	I	96.9	Very high	97.4	Very high	55 Å²	55	26 Å²	26	28%	0.282	14%	0.142	S	C	.	.	H	α-helix	trans	-63.2	-49.9	-179.2	-67	170.7	0	0	0	110.9	V171 H172 R177 L183 I186 L210 I214	V171-I175 HydrophobicContact CG1-CD1 3.9Å; V171-I175 WeakPolarHBondContact O-CG1 3.5Å; V171-I175 PolarHBondContact O-N 2.83Å; V171-I175 VanDerWaalsContact O-N 3.07Å; H172-I175 PolarHBondContact O-N 3.04Å; I175-R177 VanDerWaalsContact C-N 3.28Å; I175-R177 PolarHBondContact O-N 3.17Å; I175-L183 HydrophobicContact CG1-CD2 4.38Å; I175-I186 HydrophobicContact CD1-CD1 4.16Å; I175-I186 HydrophobicContact CG1-CD1 3.72Å; I175-L210 HydrophobicContact CD1-CD2 3.61Å; I175-I214 HydrophobicContact CD1-CD1 4.23Å
176	D	96.2	Very high	97.4	Very high	83 Å²	83	25.9 Å²	25.9	44%	0.444	14%	0.141	S	C	.	.	H	α-helix	trans	-66.5	-29.5	-172.4	-63.4	-12.9	0	0	0	112.4	H130 H172	H130-D176 IonicContact CE1-OD1 2.69Å; H130-D176 IonicContact CE1-OD2 2.94Å; H130-D176 IonicContact CG-OD2 3.08Å; H130-D176 IonicContact ND1-OD1 3.59Å; H130-D176 IonicContact ND1-OD2 3.91Å; H130-D176 PolarHBondContact ND1-OD2 3.19Å; H172-D176 VanDerWaalsContact O-CB 3.32Å; H172-D176 WeakPolarHBondContact O-CB 3.47Å; H172-D176 PolarHBondContact O-N 2.81Å
177	R	96.9	Very high	97.5	Very high	26 Å²	26	25.8 Å²	25.8	10%	0.098	14%	0.14	C	C	.	.	H	α-helix	trans	-114.4	7.9	-172.3	-61.9	-177.3	179.6	94.9	10.8	114.9	R131 S173 I175 V250 M252	R131-R177 PolarHBondContact O-NH2 2.78Å; S173-R177 WeakPolarHBondContact O-CB 3.25Å; S173-R177 PolarHBondContact O-N 3.01Å; S173-R177 PolarHBondContact OG-NH1 3.39Å; I175-R177 VanDerWaalsContact C-N 3.28Å; I175-R177 PolarHBondContact O-N 3.17Å; R177-V250 HydrophobicContact CB-CG2 4.07Å; R177-V250 WeakPolarHBondContact CD-O 3.47Å; R177-M252 HydrophobicContact CB-SD 4.41Å; R177-M252 HydrophobicContact CG-SD 3.83Å
178	T	97.2	Very high	97.5	Very high	11 Å²	11	25.8 Å²	25.8	7%	0.067	14%	0.14	C	C	.	.	S	Bend	trans	-115	125.7	178.5	-52.2	0	0	0	0	110.7	V174 A180 L182 L183 W254 L255	V174-T178 WeakPolarHBondContact O-CB 3.48Å; V174-T178 PolarHBondContact O-N 3.47Å; V174-T178 PolarHBondContact O-OG1 2.74Å; T178-A180 PolarHBondContact O-N 3.12Å; T178-L182 HydrophobicContact CG2-CB 4.45Å; T178-L183 HydrophobicContact CG2-CB 3.82Å; T178-W254 PolarHBondContact OG1-NE1 3.05Å; T178-W254 VanDerWaalsContact OG1-NE1 3.08Å; T178-L255 HydrophobicContact CG2-CB 4.49Å; T178-L255 HydrophobicContact CG2-CD2 3.46Å; T178-L255 VanDerWaalsContact CG2-CD2 3.46Å
179	P	95.6	Very high	97.5	Very high	40 Å²	40	25.8 Å²	25.8	26%	0.26	14%	0.14	S	C	.	.			trans	-55.2	133.8	174.9	-25.3	33.9	0	0	0	112.1	H181 L182 L183 Q256	P179-H181 VanDerWaalsContact CB-CE1 3.47Å; P179-H181 WeakPolarHBondContact CB-CE1 3.44Å; P179-H181 PolarHBondContact O-N 3.16Å; P179-L182 HydrophobicContact CB-CD1 4.2Å; P179-L182 HydrophobicContact CB-CG 4.24Å; P179-L182 HydrophobicContact CG-CD1 4.02Å; P179-L182 PolarHBondContact O-N 3.41Å; P179-L183 PolarHBondContact O-N 3.22Å; P179-Q256 VanDerWaalsContact CG-NE2 3.34Å
180	A	94.6	Very high	97.5	Very high	74 Å²	74	25.9 Å²	25.9	61%	0.612	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.1	-171	0	0	0	0	0	114.7	T178 K213	T178-A180 PolarHBondContact O-N 3.12Å; A180-K213 PolarHBondContact O-NZ 3.04Å
181	H	95.4	Very high	97.5	Very high	131 Å²	131	26.2 Å²	26.2	61%	0.606	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.5	177.5	63.7	-86.5	0	0	0	113.4	P179	P179-H181 VanDerWaalsContact CB-CE1 3.47Å; P179-H181 WeakPolarHBondContact CB-CE1 3.44Å; P179-H181 PolarHBondContact O-N 3.16Å
182	L	97.4	Very high	97.4	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-27.7	177.1	-58.9	-179.2	0	0	0	112.3	L150 A153 T178 P179 H184 L255 Q256 L259	L150-L182 HydrophobicContact CB-CD2 3.66Å; L150-L182 HydrophobicContact CD1-CD1 4.34Å; A153-L182 PolarHBondContact N-O 2.74Å; T178-L182 HydrophobicContact CG2-CB 4.45Å; P179-L182 HydrophobicContact CB-CD1 4.2Å; P179-L182 HydrophobicContact CB-CG 4.24Å; P179-L182 HydrophobicContact CG-CD1 4.02Å; P179-L182 PolarHBondContact O-N 3.41Å; L182-H184 PolarHBondContact O-N 3.46Å; L182-L255 HydrophobicContact CB-CD2 4.13Å; L182-Q256 HydrophobicContact CD1-CG 3.74Å; L182-L259 HydrophobicContact CB-CD1 4.29Å; L182-L259 HydrophobicContact CD1-CD1 4.2Å; L182-L259 HydrophobicContact CD2-CD1 4.21Å; L182-L259 HydrophobicContact CG-CD1 4.46Å
183	L	97.8	Very high	97.3	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	98.2	176.7	-175.2	62.3	0	0	0	110.5	V155 V174 I175 T178 P179 I186 K213	V155-L183 HydrophobicContact CG2-CD1 3.73Å; V174-L183 HydrophobicContact CG1-CD1 4Å; V174-L183 HydrophobicContact CG1-CD2 4.26Å; I175-L183 HydrophobicContact CG1-CD2 4.38Å; T178-L183 HydrophobicContact CG2-CB 3.82Å; P179-L183 PolarHBondContact O-N 3.22Å; L183-I186 HydrophobicContact CD1-CG1 3.97Å; L183-I186 HydrophobicContact CD2-CD1 4.21Å; L183-I186 HydrophobicContact CD2-CG1 4.32Å; L183-K213 PolarHBondContact O-NZ 3.47Å
184	H	97.8	Very high	97.2	Very high	85 Å²	85	33 Å²	33	39%	0.394	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-53	178.1	-172.2	65.5	0	0	0	111.3	A152 A153 L182 T237 G238	A152-H184 HydrophobicContact CB-CB 4.05Å; A153-H184 VanDerWaalsContact O-CB 3.3Å; A153-H184 WeakPolarHBondContact O-CB 3.2Å; A153-H184 PolarHBondContact O-N 3.3Å; L182-H184 PolarHBondContact O-N 3.46Å; H184-T237 PolarHBondContact CD2-OG1 3.12Å; H184-T237 PolarHBondContact NE2-OG1 3.18Å; H184-G238 PolarHBondContact CD2-N 3.25Å; H184-G238 VanDerWaalsContact CD2-N 3.26Å
185	E	98.2	Very high	96.9	Very high	7 Å²	7	35 Å²	35	3%	0.033	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	160.9	178.8	62.2	-167.4	142.5	0	0	111.2	S154 V155 I187 K213 K215 T237	S154-E185 WeakPolarHBondContact CA-O 3.46Å; S154-E185 WeakPolarHBondContact OG-CG 3.46Å; S154-E185 PolarHBondContact OG-OE1 2.63Å; V155-E185 PolarHBondContact N-O 2.83Å; E185-I187 HydrophobicContact CG-CD1 4.29Å; E185-I187 HydrophobicContact CG-CG1 4.15Å; E185-K213 CarbonylContact C-O 3.23Å; E185-K213 WeakPolarHBondContact CA-O 3.31Å; E185-K215 WeakPolarHBondContact OE2-CD 3.49Å; E185-K215 WeakPolarHBondContact OE2-CE 3.11Å; E185-K215 IonicContact OE2-NZ 2.73Å; E185-K215 PolarHBondContact OE2-NZ 2.84Å; E185-T237 PolarHBondContact OE1-N 3.45Å; E185-T237 PolarHBondContact OE1-OG1 2.96Å
186	I	98.7	Very high	96.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.9	167.6	-56.6	176.7	0	0	0	107.8	V155 I157 V171 V174 I175 L183 L188 K213 I214 K215	V155-I186 HydrophobicContact CB-CG1 4.38Å; V155-I186 CarbonylContact O-C 3.13Å; V155-I186 WeakPolarHBondContact O-CA 3.48Å; I157-I186 HydrophobicContact CD1-CG2 3.96Å; V171-I186 HydrophobicContact CG1-CD1 4.28Å; V174-I186 HydrophobicContact CB-CD1 4.25Å; V174-I186 HydrophobicContact CG1-CD1 3.85Å; V174-I186 HydrophobicContact CG1-CG1 4.32Å; I175-I186 HydrophobicContact CD1-CD1 4.16Å; I175-I186 HydrophobicContact CG1-CD1 3.72Å; L183-I186 HydrophobicContact CD1-CG1 3.97Å; L183-I186 HydrophobicContact CD2-CD1 4.21Å; L183-I186 HydrophobicContact CD2-CG1 4.32Å; I186-L188 HydrophobicContact CG2-CD2 3.85Å; I186-L188 HydrophobicContact CG2-CG 4.44Å; I186-K213 PolarHBondContact N-O 2.69Å; I186-I214 HydrophobicContact CB-CG1 4.3Å; I186-I214 CarbonylContact O-C 3.51Å; I186-I214 VanDerWaalsContact O-CA 3.31Å; I186-I214 WeakPolarHBondContact O-CA 3.23Å; I186-K215 PolarHBondContact O-N 3.42Å
187	I	98.8	Very high	96.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	111	179	-58.4	175.7	0	0	0	108	V155 V156 I157 E185 V189 K215 I217 H235 A236	V155-I187 PolarHBondContact O-N 3.44Å; V156-I187 HydrophobicContact CG2-CB 4.47Å; I157-I187 PolarHBondContact N-O 2.87Å; E185-I187 HydrophobicContact CG-CD1 4.29Å; E185-I187 HydrophobicContact CG-CG1 4.15Å; I187-V189 HydrophobicContact CG2-CG2 3.96Å; I187-K215 CarbonylContact C-O 3.57Å; I187-K215 WeakPolarHBondContact CA-O 3.35Å; I187-K215 HydrophobicContact CG1-CB 4.49Å; I187-I217 HydrophobicContact CG2-CG1 3.88Å; I187-H235 HydrophobicContact CD1-CB 4.26Å; I187-A236 VanDerWaalsContact CD1-CA 3.45Å; I187-A236 HydrophobicContact CD1-CB 3.75Å
188	L	98.6	Very high	96.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	115.3	174.1	-56	-173.8	0	0	0	108.3	I157 F159 V171 I186 I214 K215 V216 I217	I157-L188 HydrophobicContact CB-CD2 3.83Å; I157-L188 HydrophobicContact CD1-CD2 3.96Å; I157-L188 HydrophobicContact CG1-CD2 4.4Å; I157-L188 HydrophobicContact CG2-CD2 4.32Å; I157-L188 CarbonylContact O-C 3.55Å; I157-L188 WeakPolarHBondContact O-CA 3.33Å; F159-L188 HydrophobicContact CE1-CB 3.93Å; V171-L188 HydrophobicContact CG2-CD1 4.15Å; V171-L188 HydrophobicContact CG2-CD2 3.79Å; I186-L188 HydrophobicContact CG2-CD2 3.85Å; I186-L188 HydrophobicContact CG2-CG 4.44Å; L188-I214 HydrophobicContact CD1-CG2 3.91Å; L188-I214 HydrophobicContact CG-CG2 3.98Å; L188-K215 PolarHBondContact N-O 2.66Å; L188-V216 HydrophobicContact CB-CG2 4.43Å; L188-V216 HydrophobicContact CD1-CG2 4.35Å; L188-V216 CarbonylContact O-C 3.5Å; L188-V216 WeakPolarHBondContact O-CA 3.32Å; L188-I217 PolarHBondContact O-N 2.67Å
189	V	98.6	Very high	96.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	107.1	178.1	-172.8	0	0	0	0	108.7	V156 I157 C158 F159 I187 D191 I231	V156-V189 HydrophobicContact CG1-CG2 4.29Å; I157-V189 PolarHBondContact O-N 3.49Å; C158-V189 WeakPolarHBondContact CA-O 3.49Å; C158-V189 HydrophobicContact CB-CB 4.48Å; F159-V189 WeakPolarHBondContact CD1-O 3.39Å; F159-V189 PolarHBondContact N-O 3.32Å; I187-V189 HydrophobicContact CG2-CG2 3.96Å; V189-D191 PolarHBondContact O-N 2.99Å; V189-I231 HydrophobicContact CG1-CG2 4.33Å
190	D	98.4	Very high	96.3	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.032	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	113	171.8	-176.8	13.7	0	0	0	110.1	F159 D192 S193 I217 R218 N219	F159-D190 HydrophobicContact CE1-CB 3.89Å; F159-D190 HydrophobicContact CE2-CB 3.86Å; F159-D190 HydrophobicContact CZ-CB 3.43Å; F159-D190 VanDerWaalsContact CZ-CB 3.43Å; D190-D192 PolarHBondContact O-N 3.45Å; D190-D192 VanDerWaalsContact O-N 3.07Å; D190-D192 PolarHBondContact OD1-N 3Å; D190-S193 WeakPolarHBondContact OD1-CB 3.42Å; D190-S193 PolarHBondContact OD1-N 3.32Å; D190-S193 PolarHBondContact OD1-OG 3.49Å; D190-I217 PolarHBondContact N-O 3.19Å; D190-R218 VanDerWaalsContact CB-CD 3.5Å; D190-R218 VanDerWaalsContact CG-NH1 3.27Å; D190-R218 WeakPolarHBondContact OD2-CD 3.22Å; D190-R218 IonicContact OD2-CZ 2.66Å; D190-R218 IonicContact OD2-NE 2.75Å; D190-R218 IonicContact OD2-NH1 2.63Å; D190-R218 PolarHBondContact OD2-NH1 2.68Å; D190-N219 WeakPolarHBondContact O-CB 3.22Å; D190-N219 PolarHBondContact O-N 3.46Å
191	D	97.2	Very high	96.3	Very high	8 Å²	8	41 Å²	41	4%	0.043	21%	0.211	C	C	.	.			trans	-86.1	53.5	178.6	-170	40.4	0	0	0	112.1	F159 Y160 V189 N219 E223 G224	F159-D191 PolarHBondContact O-N 2.94Å; Y160-D191 WeakPolarHBondContact CD2-O 3.49Å; V189-D191 PolarHBondContact O-N 2.99Å; D191-N219 PolarHBondContact OD1-ND2 2.77Å; D191-N219 VanDerWaalsContact OD1-ND2 3.09Å; D191-E223 WeakPolarHBondContact OD1-CA 3.23Å; D191-E223 WeakPolarHBondContact OD1-CB 3.15Å; D191-E223 PolarHBondContact OD1-N 2.79Å; D191-G224 PolarHBondContact OD1-N 3.31Å; D191-G224 WeakPolarHBondContact OD2-CA 3.18Å; D191-G224 PolarHBondContact OD2-N 3.19Å
192	D	96.6	Very high	96.4	Very high	64 Å²	64	34.7 Å²	34.7	34%	0.342	18%	0.182	S	C	.	.	S	Bend	trans	63.4	52.3	178.4	-170	34.5	0	0	0	113.2	Y160 D190 K221 R222	Y160-D192 VanDerWaalsContact CE2-O 3.31Å; Y160-D192 WeakPolarHBondContact CE2-O 3.2Å; D190-D192 PolarHBondContact O-N 3.45Å; D190-D192 VanDerWaalsContact O-N 3.07Å; D190-D192 PolarHBondContact OD1-N 3Å; D192-K221 WeakPolarHBondContact OD2-CA 3.44Å; D192-R222 HydrophobicContact CB-CB 4.27Å; D192-R222 PolarHBondContact OD2-N 3.32Å; D192-R222 VanDerWaalsContact OD2-N 3.14Å
193	S	96.8	Very high	96.2	Very high	1 Å²	1	38 Å²	38	1%	0.007	20%	0.2	C	C	.	.			trans	-63.4	143	178.5	-62	0	0	0	0	113.2	Y160 N161 D190 K199	Y160-S193 WeakPolarHBondContact CA-OG 3.4Å; N161-S193 PolarHBondContact N-OG 3.14Å; D190-S193 WeakPolarHBondContact OD1-CB 3.42Å; D190-S193 PolarHBondContact OD1-N 3.32Å; D190-S193 PolarHBondContact OD1-OG 3.49Å; S193-K199 WeakPolarHBondContact O-CE 3.5Å; S193-K199 PolarHBondContact O-NZ 3.14Å
194	D	94.4	Very high	96.1	Very high	94 Å²	94	44.2 Å²	44.2	50%	0.503	23%	0.229	S	C	.	.			trans	-83.1	-34.6	178.9	-60.3	-65.8	0	0	0	112.2	Y160 N161 K199	Y160-D194 PolarHBondContact OH-OD2 3.27Å; N161-D194 PolarHBondContact ND2-OD2 3.46Å; N161-D194 PolarHBondContact OD1-N 3.29Å; D194-K199 PolarHBondContact O-NZ 3.1Å
195	F	94	Very high	96	Very high	43 Å²	43	42 Å²	42	19%	0.189	22%	0.217	C	C	.	.			trans	-69.8	134.4	-171.6	-55.9	-29	0	0	0	112.9	K116 H117 N161 D197 L198	K116-F195 HydrophobicContact CB-CZ 4.44Å; K116-F195 HydrophobicContact CD-CE1 4.43Å; K116-F195 HydrophobicContact CD-CZ 3.99Å; K116-F195 HydrophobicContact CG-CZ 4.38Å; H117-F195 AromaticContact CE1-CE2 3.45Å; H117-F195 VanDerWaalsContact CE1-CE2 3.45Å; H117-F195 WeakPolarHBondContact CE1-CE2 3.07Å; N161-F195 HydrophobicContact CB-CD2 3.85Å; N161-F195 HydrophobicContact CB-CE2 3.53Å; N161-F195 HydrophobicContact CB-CZ 4Å; N161-F195 VanDerWaalsContact O-CE2 3.31Å; N161-F195 WeakPolarHBondContact O-CE2 3.47Å; N161-F195 PolarHBondContact OD1-N 2.91Å; F195-D197 WeakPolarHBondContact CB-OD1 3.36Å; F195-D197 PolarHBondContact O-N 2.69Å; F195-L198 HydrophobicContact CB-CD1 4.24Å; F195-L198 HydrophobicContact CB-CG 4.42Å; F195-L198 HydrophobicContact CD2-CD1 4.33Å; F195-L198 PolarHBondContact O-N 3.5Å
196	D	92.7	Very high	95.9	Very high	133 Å²	133	42.3 Å²	42.3	71%	0.711	22%	0.22	S	C	*	.	S	Bend	trans	-68.8	-33.4	-173.3	-67.7	-34.1	0	0	0	113	L198 K199	D196-L198 PolarHBondContact O-N 3.16Å; D196-K199 PolarHBondContact O-N 3.41Å
197	D	93.2	Very high	95.7	Very high	50 Å²	50	50 Å²	50	27%	0.267	26%	0.255	S	S	.	.	I	π-helix	trans	-62.9	-30.3	176.9	57.7	-11.5	0	0	0	112.1	F164 F195 K199 L202	F164-D197 HydrophobicContact CD2-CB 4.19Å; F164-D197 WeakPolarHBondContact CD2-O 3.31Å; F164-D197 VanDerWaalsContact CE2-O 3.24Å; F164-D197 WeakPolarHBondContact CE2-O 3.45Å; F195-D197 WeakPolarHBondContact CB-OD1 3.36Å; F195-D197 PolarHBondContact O-N 2.69Å; D197-K199 VanDerWaalsContact C-N 3.25Å; D197-K199 PolarHBondContact O-N 3.08Å; D197-L202 PolarHBondContact O-N 3.22Å; D197-L202 VanDerWaalsContact O-N 3.16Å
198	L	96.2	Very high	95.5	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	I	π-helix	trans	-77.1	-8.2	175.4	-66.2	176.3	0	0	0	113.4	F159 E162 F164 L167 F195 D196 L202 R218	F159-L198 HydrophobicContact CD2-CD1 4.23Å; F159-L198 HydrophobicContact CD2-CD2 4.32Å; F159-L198 HydrophobicContact CE2-CB 4.21Å; F159-L198 HydrophobicContact CE2-CD1 4.22Å; F159-L198 HydrophobicContact CE2-CD2 4.07Å; F159-L198 HydrophobicContact CE2-CG 4.41Å; E162-L198 WeakPolarHBondContact O-CD1 3.45Å; F164-L198 HydrophobicContact CD2-CD2 4.33Å; L167-L198 HydrophobicContact CD2-CD2 3.81Å; F195-L198 HydrophobicContact CB-CD1 4.24Å; F195-L198 HydrophobicContact CB-CG 4.42Å; F195-L198 HydrophobicContact CD2-CD1 4.33Å; F195-L198 PolarHBondContact O-N 3.5Å; D196-L198 PolarHBondContact O-N 3.16Å; L198-L202 WeakPolarHBondContact O-CB 3.49Å; L198-R218 PolarHBondContact O-NH1 3Å; L198-R218 PolarHBondContact O-NH2 2.98Å
199	K	94.6	Very high	95.2	Very high	84 Å²	84	62.3 Å²	62.3	37%	0.365	31%	0.306	S	S	.	.	I	π-helix	trans	-97.7	-107.1	-176.8	-64	174.2	-178.5	165	0	110.9	S193 D194 D196 D197 E201 L202 D203 R218	S193-K199 WeakPolarHBondContact O-CE 3.5Å; S193-K199 PolarHBondContact O-NZ 3.14Å; D194-K199 PolarHBondContact O-NZ 3.1Å; D196-K199 PolarHBondContact O-N 3.41Å; D197-K199 VanDerWaalsContact C-N 3.25Å; D197-K199 PolarHBondContact O-N 3.08Å; K199-E201 VanDerWaalsContact C-N 3.31Å; K199-E201 PolarHBondContact O-N 3.36Å; K199-L202 PolarHBondContact O-N 3.44Å; K199-D203 PolarHBondContact O-N 2.68Å; K199-D203 VanDerWaalsContact O-N 3.1Å; K199-R218 PolarHBondContact O-NH2 2.92Å
200	G	92.1	Very high	94.9	Very high	38 Å²	38	63.2 Å²	63.2	39%	0.392	31%	0.311	S	S	.	.	I	π-helix	trans	-61.3	-38.5	-175.1	0	0	0	0	0	112.8	D203 E204	G200-D203 PolarHBondContact O-N 3.03Å; G200-E204 WeakPolarHBondContact O-CB 3.42Å; G200-E204 WeakPolarHBondContact O-CG 3.26Å; G200-E204 PolarHBondContact O-N 3.12Å
201	E	95.4	Very high	94.1	Very high	108 Å²	108	67.8 Å²	67.8	51%	0.505	34%	0.342	S	S	.	.	I	π-helix	trans	-64.8	-41.2	178.7	-179.3	176.4	176.5	0	0	112.1	F164 K199 Y205	F164-E201 HydrophobicContact CE2-CG 4.31Å; F164-E201 HydrophobicContact CZ-CG 4.12Å; K199-E201 VanDerWaalsContact C-N 3.31Å; K199-E201 PolarHBondContact O-N 3.36Å; E201-Y205 VanDerWaalsContact O-CB 3.31Å; E201-Y205 WeakPolarHBondContact O-CB 3.45Å; E201-Y205 PolarHBondContact O-N 3.5Å
202	L	96.4	Very high	93.4	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-62.9	-43.7	172.9	-179	60.9	0	0	0	111.9	F159 F164 L167 L168 D197 L198 K199 Y205 V206	F159-L202 HydrophobicContact CE1-CD2 4.43Å; F159-L202 HydrophobicContact CE2-CD2 4.26Å; F159-L202 HydrophobicContact CZ-CD2 3.68Å; F164-L202 HydrophobicContact CE2-CB 4.03Å; F164-L202 HydrophobicContact CE2-CD1 4.13Å; L167-L202 HydrophobicContact CD2-CD1 4.32Å; L167-L202 HydrophobicContact CD2-CD2 3.94Å; L168-L202 HydrophobicContact CD2-CD1 4.08Å; D197-L202 PolarHBondContact O-N 3.22Å; D197-L202 VanDerWaalsContact O-N 3.16Å; L198-L202 WeakPolarHBondContact O-CB 3.49Å; K199-L202 PolarHBondContact O-N 3.44Å; L202-Y205 PolarHBondContact O-N 2.86Å; L202-V206 HydrophobicContact CD1-CG2 4.13Å; L202-V206 HydrophobicContact CG-CG2 4.47Å; L202-V206 WeakPolarHBondContact O-CB 3.28Å; L202-V206 WeakPolarHBondContact O-CG2 3.44Å; L202-V206 PolarHBondContact O-N 2.96Å
203	D	94.8	Very high	92.9	Very high	72 Å²	72	72 Å²	72	39%	0.385	38%	0.38	S	S	.	.	H	α-helix	trans	-63.5	-44.6	-180	-65.5	-19.4	0	0	0	110.9	K199 G200 V206 Q207 R218	K199-D203 PolarHBondContact O-N 2.68Å; K199-D203 VanDerWaalsContact O-N 3.1Å; G200-D203 PolarHBondContact O-N 3.03Å; D203-V206 PolarHBondContact O-N 3.39Å; D203-Q207 WeakPolarHBondContact O-CB 3.32Å; D203-Q207 PolarHBondContact O-N 3.08Å; D203-R218 IonicContact OD1-CZ 3.2Å; D203-R218 IonicContact OD1-NE 3.47Å; D203-R218 IonicContact OD1-NH2 3.5Å; D203-R218 PolarHBondContact OD1-NH2 2.75Å; D203-R218 IonicContact OD2-NH2 3.63Å
204	E	95.5	Very high	92.9	Very high	136 Å²	136	73 Å²	73	64%	0.636	39%	0.385	S	S	*	.	H	α-helix	trans	-61.8	-43.9	174.4	-74.4	177.7	-166.8	0	0	111.7	G200 Q207 K208	G200-E204 WeakPolarHBondContact O-CB 3.42Å; G200-E204 WeakPolarHBondContact O-CG 3.26Å; G200-E204 PolarHBondContact O-N 3.12Å; E204-Q207 PolarHBondContact O-N 3.37Å; E204-K208 VanDerWaalsContact O-CB 3.23Å; E204-K208 WeakPolarHBondContact O-CB 3.34Å; E204-K208 PolarHBondContact O-N 3.05Å
205	Y	95.7	Very high	92.9	Very high	38 Å²	38	72.7 Å²	72.7	15%	0.149	38%	0.379	C	S	.	.	H	α-helix	trans	-60.6	-49.2	177.4	-173.7	-80.1	0	0	0	111.1	Y129 F164 L168 H172 E201 L202 Q207 K208 Y209 L210	Y129-Y205 HydrophobicContact CD2-CE2 4.32Å; Y129-Y205 WeakPolarHBondContact CD2-OH 3.33Å; Y129-Y205 AromaticContact CE2-CE2 3.75Å; Y129-Y205 HydrophobicContact CE2-CE2 3.75Å; Y129-Y205 AromaticContact CE2-CZ 3.93Å; F164-Y205 HydrophobicContact CZ-CG 4.46Å; L168-Y205 HydrophobicContact CD1-CD1 3.86Å; L168-Y205 HydrophobicContact CD1-CD2 3.99Å; L168-Y205 HydrophobicContact CD1-CE1 3.77Å; L168-Y205 HydrophobicContact CD1-CE2 3.86Å; L168-Y205 HydrophobicContact CD1-CG 4Å; L168-Y205 HydrophobicContact CD2-CD1 3.7Å; L168-Y205 HydrophobicContact CD2-CE1 3.75Å; L168-Y205 HydrophobicContact CD2-CG 4.49Å; L168-Y205 HydrophobicContact CG-CD1 4.47Å; L168-Y205 HydrophobicContact CG-CE1 4.39Å; H172-Y205 AromaticContact NE2-CE1 3.84Å; H172-Y205 AromaticContact NE2-CZ 3.83Å; H172-Y205 PolarHBondContact NE2-OH 2.94Å; E201-Y205 VanDerWaalsContact O-CB 3.31Å; E201-Y205 WeakPolarHBondContact O-CB 3.45Å; E201-Y205 PolarHBondContact O-N 3.5Å; L202-Y205 PolarHBondContact O-N 2.86Å; Y205-Q207 PolarHBondContact O-N 3.11Å; Y205-K208 PolarHBondContact O-N 3.29Å; Y205-Y209 HydrophobicContact CD1-CD2 4.34Å; Y205-Y209 AromaticContact CD2-CD2 3.63Å; Y205-Y209 HydrophobicContact CD2-CD2 3.63Å; Y205-Y209 HydrophobicContact CD2-CE2 4.01Å; Y205-Y209 HydrophobicContact CE1-CD2 4.34Å; Y205-Y209 AromaticContact CE2-CD2 3.66Å; Y205-Y209 HydrophobicContact CE2-CD2 3.66Å; Y205-Y209 HydrophobicContact CE2-CE2 4.11Å; Y205-Y209 HydrophobicContact CE2-CG 4.28Å; Y205-Y209 AromaticContact CG-CD2 3.97Å; Y205-Y209 HydrophobicContact CG-CD2 3.97Å; Y205-Y209 WeakPolarHBondContact O-CB 3.47Å; Y205-Y209 WeakPolarHBondContact O-CD2 3.4Å; Y205-Y209 PolarHBondContact O-N 2.98Å; Y205-L210 HydrophobicContact CD1-CD1 4.24Å; Y205-L210 HydrophobicContact CE1-CD1 3.84Å; Y205-L210 HydrophobicContact CE1-CG 4.23Å
206	V	95.7	Very high	93.1	Very high	14 Å²	14	72.5 Å²	72.5	9%	0.085	38%	0.381	C	S	.	.	H	α-helix	trans	-62.5	-44.2	-179.9	169.9	0	0	0	0	110.8	L202 D203 K208 L210 I214 V216	L202-V206 HydrophobicContact CD1-CG2 4.13Å; L202-V206 HydrophobicContact CG-CG2 4.47Å; L202-V206 WeakPolarHBondContact O-CB 3.28Å; L202-V206 WeakPolarHBondContact O-CG2 3.44Å; L202-V206 PolarHBondContact O-N 2.96Å; D203-V206 PolarHBondContact O-N 3.39Å; V206-K208 PolarHBondContact O-N 2.79Å; V206-L210 CarbonylContact O-C 3.59Å; V206-L210 VanDerWaalsContact O-C 3.23Å; V206-L210 WeakPolarHBondContact O-CA 3.37Å; V206-L210 PolarHBondContact O-N 2.95Å; V206-I214 HydrophobicContact CG1-CB 3.83Å; V206-I214 HydrophobicContact CG1-CG2 3.83Å; V206-I214 HydrophobicContact CG2-CG2 4.31Å; V206-V216 HydrophobicContact CG1-CG2 4.37Å; V206-V216 HydrophobicContact CG2-CG2 4.16Å
207	Q	93.7	Very high	93.4	Very high	161 Å²	161	67.7 Å²	67.7	75%	0.752	36%	0.355	S	S	*	.	H	α-helix	trans	-63.9	-40.6	179.4	-174	177.4	11.3	0	0	112.3	D203 E204 Y205	D203-Q207 WeakPolarHBondContact O-CB 3.32Å; D203-Q207 PolarHBondContact O-N 3.08Å; E204-Q207 PolarHBondContact O-N 3.37Å; Y205-Q207 PolarHBondContact O-N 3.11Å
208	K	94.4	Very high	93.6	Very high	146 Å²	146	68.8 Å²	68.8	64%	0.635	36%	0.356	S	S	*	.	H	α-helix	trans	-79.5	-42.7	-175.5	-174.5	175.5	175.7	-164.7	0	112.9	E204 Y205 V206	E204-K208 VanDerWaalsContact O-CB 3.23Å; E204-K208 WeakPolarHBondContact O-CB 3.34Å; E204-K208 PolarHBondContact O-N 3.05Å; Y205-K208 PolarHBondContact O-N 3.29Å; V206-K208 PolarHBondContact O-N 2.79Å
209	Y	92.8	Very high	93.6	Very high	112 Å²	112	69.8 Å²	69.8	44%	0.439	36%	0.361	S	S	.	.	H	α-helix	trans	-110.6	-19.7	-167.8	-61.9	-74.4	0	0	0	114.3	Y205	Y205-Y209 HydrophobicContact CD1-CD2 4.34Å; Y205-Y209 AromaticContact CD2-CD2 3.63Å; Y205-Y209 HydrophobicContact CD2-CD2 3.63Å; Y205-Y209 HydrophobicContact CD2-CE2 4.01Å; Y205-Y209 HydrophobicContact CE1-CD2 4.34Å; Y205-Y209 AromaticContact CE2-CD2 3.66Å; Y205-Y209 HydrophobicContact CE2-CD2 3.66Å; Y205-Y209 HydrophobicContact CE2-CE2 4.11Å; Y205-Y209 HydrophobicContact CE2-CG 4.28Å; Y205-Y209 AromaticContact CG-CD2 3.97Å; Y205-Y209 HydrophobicContact CG-CD2 3.97Å; Y205-Y209 WeakPolarHBondContact O-CB 3.47Å; Y205-Y209 WeakPolarHBondContact O-CD2 3.4Å; Y205-Y209 PolarHBondContact O-N 2.98Å
210	L	91.6	Very high	93.6	Very high	19 Å²	19	72.3 Å²	72.3	10%	0.099	38%	0.384	C	S	.	.	S	Bend	trans	-128	51.4	-174.2	-61.1	173.7	0	0	0	113	V171 I175 Y205 V206 I214	V171-L210 HydrophobicContact CG1-CD1 3.78Å; I175-L210 HydrophobicContact CD1-CD2 3.61Å; Y205-L210 HydrophobicContact CD1-CD1 4.24Å; Y205-L210 HydrophobicContact CE1-CD1 3.84Å; Y205-L210 HydrophobicContact CE1-CG 4.23Å; V206-L210 CarbonylContact O-C 3.59Å; V206-L210 VanDerWaalsContact O-C 3.23Å; V206-L210 WeakPolarHBondContact O-CA 3.37Å; V206-L210 PolarHBondContact O-N 2.95Å; L210-I214 HydrophobicContact CB-CD1 3.54Å; L210-I214 HydrophobicContact CB-CG1 4.16Å; L210-I214 HydrophobicContact CD1-CD1 3.41Å; L210-I214 VanDerWaalsContact CD1-CD1 3.41Å; L210-I214 HydrophobicContact CD2-CD1 4.45Å; L210-I214 HydrophobicContact CG-CD1 3.98Å
211	P	83.5	Confident	93.7	Very high	103 Å²	103	76.1 Å²	76.1	67%	0.669	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	137	-174.2	29.3	-35.6	0	0	0	112.5	K213	P211-K213 PolarHBondContact O-N 2.8Å
212	G	82.1	Confident	93.6	Very high	83 Å²	83	73.3 Å²	73.3	86%	0.856	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-19.1	159.6	0	0	0	0	0	117.7
213	K	85.5	Confident	93.5	Very high	78 Å²	78	75.2 Å²	75.2	34%	0.339	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-7.3	178.4	-70.4	-162.6	173.7	-158	0	115.3	A180 L183 E185 I186 P211	A180-K213 PolarHBondContact O-NZ 3.04Å; L183-K213 PolarHBondContact O-NZ 3.47Å; E185-K213 CarbonylContact C-O 3.23Å; E185-K213 WeakPolarHBondContact CA-O 3.31Å; I186-K213 PolarHBondContact N-O 2.69Å; P211-K213 PolarHBondContact O-N 2.8Å
214	I	95.9	Very high	93.5	Very high	21 Å²	21	71.9 Å²	71.9	11%	0.108	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134	-175.5	-52.4	-164.8	0	0	0	110.7	V171 I175 I186 L188 V206 L210 V216	V171-I214 HydrophobicContact CG1-CD1 3.44Å; V171-I214 VanDerWaalsContact CG1-CD1 3.44Å; I175-I214 HydrophobicContact CD1-CD1 4.23Å; I186-I214 HydrophobicContact CB-CG1 4.3Å; I186-I214 CarbonylContact O-C 3.51Å; I186-I214 VanDerWaalsContact O-CA 3.31Å; I186-I214 WeakPolarHBondContact O-CA 3.23Å; L188-I214 HydrophobicContact CD1-CG2 3.91Å; L188-I214 HydrophobicContact CG-CG2 3.98Å; V206-I214 HydrophobicContact CG1-CB 3.83Å; V206-I214 HydrophobicContact CG1-CG2 3.83Å; V206-I214 HydrophobicContact CG2-CG2 4.31Å; L210-I214 HydrophobicContact CB-CD1 3.54Å; L210-I214 HydrophobicContact CB-CG1 4.16Å; L210-I214 HydrophobicContact CD1-CD1 3.41Å; L210-I214 VanDerWaalsContact CD1-CD1 3.41Å; L210-I214 HydrophobicContact CD2-CD1 4.45Å; L210-I214 HydrophobicContact CG-CD1 3.98Å; I214-V216 HydrophobicContact CG2-CG2 4.48Å
215	K	96.3	Very high	93.4	Very high	88 Å²	88	67.1 Å²	67.1	38%	0.383	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125.7	171.2	-64.9	177.6	-177.6	165.3	0	109.2	E185 I186 I187 L188	E185-K215 WeakPolarHBondContact OE2-CD 3.49Å; E185-K215 WeakPolarHBondContact OE2-CE 3.11Å; E185-K215 IonicContact OE2-NZ 2.73Å; E185-K215 PolarHBondContact OE2-NZ 2.84Å; I186-K215 PolarHBondContact O-N 3.42Å; I187-K215 CarbonylContact C-O 3.57Å; I187-K215 WeakPolarHBondContact CA-O 3.35Å; I187-K215 HydrophobicContact CG1-CB 4.49Å; L188-K215 PolarHBondContact N-O 2.66Å
216	V	97.5	Very high	93.4	Very high	38 Å²	38	65.4 Å²	65.4	23%	0.23	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	121.3	173.5	-170.6	0	0	0	0	108.6	L188 V206 I214 R218	L188-V216 HydrophobicContact CB-CG2 4.43Å; L188-V216 HydrophobicContact CD1-CG2 4.35Å; L188-V216 CarbonylContact O-C 3.5Å; L188-V216 WeakPolarHBondContact O-CA 3.32Å; V206-V216 HydrophobicContact CG1-CG2 4.37Å; V206-V216 HydrophobicContact CG2-CG2 4.16Å; I214-V216 HydrophobicContact CG2-CG2 4.48Å; V216-R218 VanDerWaalsContact CG1-NE 3.33Å
217	I	97.9	Very high	93.4	Very high	32 Å²	32	67.4 Å²	67.4	16%	0.164	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.7	177.8	-53.2	-59.5	0	0	0	107.7	I187 L188 D190 I231 H235	I187-I217 HydrophobicContact CG2-CG1 3.88Å; L188-I217 PolarHBondContact O-N 2.67Å; D190-I217 PolarHBondContact N-O 3.19Å; I217-I231 HydrophobicContact CG2-CG2 3.91Å; I217-H235 HydrophobicContact CD1-CB 4.49Å
218	R	97.6	Very high	93.6	Very high	74 Å²	74	59.7 Å²	59.7	28%	0.279	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.6	-178	-56.1	-60.7	-172.6	167.4	-3.4	110.2	D190 L198 K199 D203 V216	D190-R218 VanDerWaalsContact CB-CD 3.5Å; D190-R218 VanDerWaalsContact CG-NH1 3.27Å; D190-R218 WeakPolarHBondContact OD2-CD 3.22Å; D190-R218 IonicContact OD2-CZ 2.66Å; D190-R218 IonicContact OD2-NE 2.75Å; D190-R218 IonicContact OD2-NH1 2.63Å; D190-R218 PolarHBondContact OD2-NH1 2.68Å; L198-R218 PolarHBondContact O-NH1 3Å; L198-R218 PolarHBondContact O-NH2 2.98Å; K199-R218 PolarHBondContact O-NH2 2.92Å; D203-R218 IonicContact OD1-CZ 3.2Å; D203-R218 IonicContact OD1-NE 3.47Å; D203-R218 IonicContact OD1-NH2 3.5Å; D203-R218 PolarHBondContact OD1-NH2 2.75Å; D203-R218 IonicContact OD2-NH2 3.63Å; V216-R218 VanDerWaalsContact CG1-NE 3.33Å
219	N	96.6	Very high	93.8	Very high	20 Å²	20	52.9 Å²	52.9	11%	0.107	28%	0.278	C	S	.	.			trans	-73.8	147.1	170.6	-67.1	-11.7	0	0	0	110.1	D190 D191 K221 I231	D190-N219 WeakPolarHBondContact O-CB 3.22Å; D190-N219 PolarHBondContact O-N 3.46Å; D191-N219 PolarHBondContact OD1-ND2 2.77Å; D191-N219 VanDerWaalsContact OD1-ND2 3.09Å; N219-K221 WeakPolarHBondContact CB-O 3.38Å; N219-I231 WeakPolarHBondContact OD1-CD1 3.32Å
220	T	94.4	Very high	94	Very high	138 Å²	138	48.6 Å²	48.6	85%	0.847	26%	0.262	S	S	*	.	S	Bend	trans	-88	-8.6	177.5	53.8	0	0	0	0	113.5
221	K	94.4	Very high	94.3	Very high	118 Å²	118	49.8 Å²	49.8	51%	0.513	27%	0.268	S	S	.	.	S	Bend	trans	-151.9	158.1	174.7	66.2	177.9	-175.6	174.9	0	108.6	D192 N219 E223	D192-K221 WeakPolarHBondContact OD2-CA 3.44Å; N219-K221 WeakPolarHBondContact CB-O 3.38Å; K221-E223 WeakPolarHBondContact CE-OE1 3.44Å; K221-E223 WeakPolarHBondContact CE-OE2 3.17Å; K221-E223 HydrophobicContact CG-CG 4.3Å; K221-E223 IonicContact NZ-OE1 3.26Å; K221-E223 IonicContact NZ-OE2 3.63Å; K221-E223 PolarHBondContact O-N 3.35Å; K221-E223 VanDerWaalsContact O-N 3.08Å
222	R	94	Very high	95	Very high	48 Å²	48	44.9 Å²	44.9	18%	0.181	24%	0.236	C	C	.	.			trans	-67.4	103.9	173	-169.6	165	179.8	-122	-1.5	112.2	D192 I349 G387	D192-R222 HydrophobicContact CB-CB 4.27Å; D192-R222 PolarHBondContact OD2-N 3.32Å; D192-R222 VanDerWaalsContact OD2-N 3.14Å; R222-I349 HydrophobicContact CG-CD1 4.36Å; R222-G387 VanDerWaalsContact CZ-O 3.29Å; R222-G387 PolarHBondContact NH1-O 2.67Å; R222-G387 PolarHBondContact NH2-O 3.08Å
223	E	94.7	Very high	95.8	Very high	41 Å²	41	41 Å²	41	19%	0.192	20%	0.196	C	C	.	.			trans	-89.8	-27	-177.3	-69.8	-73.1	-170.4	0	0	112.7	D191 K221 R227 I231	D191-E223 WeakPolarHBondContact OD1-CA 3.23Å; D191-E223 WeakPolarHBondContact OD1-CB 3.15Å; D191-E223 PolarHBondContact OD1-N 2.79Å; K221-E223 WeakPolarHBondContact CE-OE1 3.44Å; K221-E223 WeakPolarHBondContact CE-OE2 3.17Å; K221-E223 HydrophobicContact CG-CG 4.3Å; K221-E223 IonicContact NZ-OE1 3.26Å; K221-E223 IonicContact NZ-OE2 3.63Å; K221-E223 PolarHBondContact O-N 3.35Å; K221-E223 VanDerWaalsContact O-N 3.08Å; E223-R227 HydrophobicContact CB-CB 3.74Å; E223-R227 PolarHBondContact O-NH1 3.37Å; E223-R227 WeakPolarHBondContact OE2-CD 3.17Å; E223-I231 HydrophobicContact CG-CD1 4.16Å
224	G	93.7	Very high	96.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.01	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	97.6	165	-175.4	0	0	0	0	0	113.9	D191 I226 R227 G228	D191-G224 PolarHBondContact OD1-N 3.31Å; D191-G224 WeakPolarHBondContact OD2-CA 3.18Å; D191-G224 PolarHBondContact OD2-N 3.19Å; G224-I226 PolarHBondContact O-N 2.9Å; G224-R227 PolarHBondContact O-N 2.74Å; G224-G228 PolarHBondContact O-N 2.83Å
225	L	93.7	Very high	96.5	Very high	37 Å²	37	44 Å²	44	19%	0.194	22%	0.223	C	C	.	.	H	α-helix	trans	-53.9	-43	-179.5	178.6	64.4	0	0	0	112.1	C158 R229 I349	C158-L225 HydrophobicContact CB-CD1 4.18Å; L225-R229 HydrophobicContact CD1-CG 4.36Å; L225-R229 WeakPolarHBondContact O-CB 3.22Å; L225-R229 VanDerWaalsContact O-CG 3.28Å; L225-R229 WeakPolarHBondContact O-CG 3.19Å; L225-R229 PolarHBondContact O-N 3.43Å; L225-I349 VanDerWaalsContact CB-O 3.31Å; L225-I349 WeakPolarHBondContact CB-O 3.46Å; L225-I349 PolarHBondContact N-O 2.74Å
226	I	95.3	Very high	96.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-52.4	-173.2	-54.9	174.1	0	0	0	110.5	G224 R229 M230 Y343 M347 E353	G224-I226 PolarHBondContact O-N 2.9Å; I226-R229 PolarHBondContact O-N 3.43Å; I226-M230 PolarHBondContact O-N 3.41Å; I226-Y343 VanDerWaalsContact CG2-CB 3.4Å; I226-Y343 HydrophobicContact CG2-CD1 4.31Å; I226-Y343 HydrophobicContact CG2-CD2 4.34Å; I226-Y343 HydrophobicContact CG2-CG 3.8Å; I226-M347 HydrophobicContact CD1-CB 3.34Å; I226-M347 HydrophobicContact CD1-CG 4.38Å; I226-M347 HydrophobicContact CD1-SD 4.24Å; I226-M347 HydrophobicContact CG2-CB 4.49Å; I226-E353 HydrophobicContact CD1-CB 3.73Å; I226-E353 HydrophobicContact CD1-CG 4.28Å; I226-E353 HydrophobicContact CG1-CB 3.85Å; I226-E353 HydrophobicContact CG1-CG 3.95Å
227	R	96.8	Very high	96.6	Very high	56 Å²	56	42 Å²	42	21%	0.211	22%	0.219	C	C	.	.	H	α-helix	trans	-72.9	-37.6	179.4	-68.6	-179	-167.2	110.9	1	111.5	E223 G224 R229 M230 I231 S345 M347 D348	E223-R227 HydrophobicContact CB-CB 3.74Å; E223-R227 PolarHBondContact O-NH1 3.37Å; E223-R227 WeakPolarHBondContact OE2-CD 3.17Å; G224-R227 PolarHBondContact O-N 2.74Å; R227-R229 VanDerWaalsContact C-N 3.28Å; R227-R229 PolarHBondContact O-N 3.18Å; R227-M230 HydrophobicContact CB-CE 4.25Å; R227-M230 HydrophobicContact CG-CE 3.81Å; R227-M230 PolarHBondContact O-N 3.17Å; R227-M230 VanDerWaalsContact O-N 3.1Å; R227-I231 VanDerWaalsContact O-CG1 3.31Å; R227-I231 WeakPolarHBondContact O-CG1 3.36Å; R227-I231 PolarHBondContact O-N 2.93Å; R227-S345 VanDerWaalsContact CZ-O 3.27Å; R227-S345 PolarHBondContact NE-O 3.35Å; R227-S345 PolarHBondContact NH2-O 3.48Å; R227-M347 PolarHBondContact NH2-O 3.26Å; R227-D348 IonicContact CZ-OD1 2.85Å; R227-D348 IonicContact NH1-OD1 3.61Å; R227-D348 PolarHBondContact NH1-OD1 3.26Å; R227-D348 IonicContact NH2-OD1 3.28Å; R227-D348 PolarHBondContact NH2-OD1 3.37Å
228	G	97.3	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-54.6	-42.9	171.8	0	0	0	0	0	112.4	G224 I231 G232	G224-G228 PolarHBondContact O-N 2.83Å; G228-I231 PolarHBondContact O-N 2.84Å; G228-G232 PolarHBondContact O-N 2.76Å
229	R	97.8	Very high	96.7	Very high	3 Å²	3	42.6 Å²	42.6	1%	0.011	23%	0.225	C	C	.	.	H	α-helix	trans	-66.7	-39.1	175.5	-75.4	177.5	178.9	-165.3	-4.3	113.1	C158 L225 I226 R227 G232 A233 F243 D245 G327 G328 Y343	C158-R229 VanDerWaalsContact SG-CG 3.53Å; C158-R229 PolarHBondContact SG-N 2.87Å; C158-R229 VanDerWaalsContact SG-N 3.37Å; L225-R229 HydrophobicContact CD1-CG 4.36Å; L225-R229 WeakPolarHBondContact O-CB 3.22Å; L225-R229 VanDerWaalsContact O-CG 3.28Å; L225-R229 WeakPolarHBondContact O-CG 3.19Å; L225-R229 PolarHBondContact O-N 3.43Å; I226-R229 PolarHBondContact O-N 3.43Å; R227-R229 VanDerWaalsContact C-N 3.28Å; R227-R229 PolarHBondContact O-N 3.18Å; R229-G232 PolarHBondContact O-N 2.67Å; R229-A233 VanDerWaalsContact O-CB 3.29Å; R229-A233 WeakPolarHBondContact O-CB 3.49Å; R229-A233 PolarHBondContact O-N 3.29Å; R229-F243 HydrophobicContact CB-CD1 4.04Å; R229-F243 HydrophobicContact CB-CE1 3.74Å; R229-F243 HydrophobicContact CG-CD1 3.8Å; R229-F243 HydrophobicContact CG-CE1 4.04Å; R229-D245 IonicContact NH2-OD1 3.76Å; R229-D245 PolarHBondContact NH2-OD1 3.47Å; R229-G327 PolarHBondContact NH1-O 3.21Å; R229-G327 PolarHBondContact NH2-O 3.12Å; R229-G328 VanDerWaalsContact NH2-CA 3.34Å; R229-G328 PolarHBondContact NH2-O 3.16Å; R229-Y343 HydrophobicContact CB-CD2 4.5Å; R229-Y343 HydrophobicContact CB-CE2 4.18Å; R229-Y343 PolarHBondContact NH1-OH 3.49Å
230	M	98	Very high	96.8	Very high	22 Å²	22	41.7 Å²	41.7	11%	0.108	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-39.4	174.8	-67.9	-171	-66.1	0	0	111.9	I226 R227 A233 A234 F337 Q342 Y343	I226-M230 PolarHBondContact O-N 3.41Å; R227-M230 HydrophobicContact CB-CE 4.25Å; R227-M230 HydrophobicContact CG-CE 3.81Å; R227-M230 PolarHBondContact O-N 3.17Å; R227-M230 VanDerWaalsContact O-N 3.1Å; M230-A233 PolarHBondContact O-N 3.08Å; M230-A234 WeakPolarHBondContact O-CB 3.43Å; M230-A234 PolarHBondContact O-N 3.37Å; M230-F337 HydrophobicContact CG-CZ 4.43Å; M230-Q342 HydrophobicContact CG-CB 4.2Å; M230-Q342 HydrophobicContact SD-CB 3.94Å; M230-Y343 HydrophobicContact CG-CD2 4.15Å
231	I	98.4	Very high	97	Very high	43 Å²	43	35.1 Å²	35.1	22%	0.221	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-50.2	174	-68.7	165	0	0	0	109.7	V189 I217 N219 E223 R227 G228 A233 A234 H235	V189-I231 HydrophobicContact CG1-CG2 4.33Å; I217-I231 HydrophobicContact CG2-CG2 3.91Å; N219-I231 WeakPolarHBondContact OD1-CD1 3.32Å; E223-I231 HydrophobicContact CG-CD1 4.16Å; R227-I231 VanDerWaalsContact O-CG1 3.31Å; R227-I231 WeakPolarHBondContact O-CG1 3.36Å; R227-I231 PolarHBondContact O-N 2.93Å; G228-I231 PolarHBondContact O-N 2.84Å; I231-A233 VanDerWaalsContact C-N 3.32Å; I231-A233 PolarHBondContact O-N 3.38Å; I231-A234 WeakPolarHBondContact O-CB 3.04Å; I231-A234 PolarHBondContact O-N 3.33Å; I231-A234 VanDerWaalsContact O-N 3.12Å; I231-H235 PolarHBondContact O-CD2 3.02Å; I231-H235 VanDerWaalsContact O-CD2 3.29Å; I231-H235 PolarHBondContact O-N 3.13Å; I231-H235 VanDerWaalsContact O-N 3.16Å
232	G	98.2	Very high	97.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.7	-42.9	176.2	0	0	0	0	0	112.9	G228 R229 A234 H235 A236	G228-G232 PolarHBondContact O-N 2.76Å; R229-G232 PolarHBondContact O-N 2.67Å; G232-A234 VanDerWaalsContact C-N 3.33Å; G232-A234 PolarHBondContact O-N 2.82Å; G232-H235 PolarHBondContact O-N 3.22Å; G232-A236 PolarHBondContact O-N 3.01Å; G232-A236 VanDerWaalsContact O-N 3.12Å
233	A	98.3	Very high	97.4	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-34.5	175.8	0	0	0	0	0	113.1	R229 M230 I231 H235 A236 L241 F243 F337	R229-A233 VanDerWaalsContact O-CB 3.29Å; R229-A233 WeakPolarHBondContact O-CB 3.49Å; R229-A233 PolarHBondContact O-N 3.29Å; M230-A233 PolarHBondContact O-N 3.08Å; I231-A233 VanDerWaalsContact C-N 3.32Å; I231-A233 PolarHBondContact O-N 3.38Å; A233-H235 VanDerWaalsContact C-N 3.31Å; A233-A236 WeakPolarHBondContact O-CB 2.99Å; A233-A236 PolarHBondContact O-N 3.19Å; A233-L241 HydrophobicContact CB-CD1 3.78Å; A233-L241 HydrophobicContact CB-CD2 4.4Å; A233-F243 HydrophobicContact CB-CZ 4.16Å; A233-F337 HydrophobicContact CB-CD1 4.04Å; A233-F337 HydrophobicContact CB-CE1 3.63Å
234	A	98.2	Very high	97.6	Very high	72 Å²	72	25.6 Å²	25.6	60%	0.595	14%	0.139	S	C	*	.	H	α-helix	trans	-69.1	-29.3	176.4	0	0	0	0	0	112.8	M230 I231 G232	M230-A234 WeakPolarHBondContact O-CB 3.43Å; M230-A234 PolarHBondContact O-N 3.37Å; I231-A234 WeakPolarHBondContact O-CB 3.04Å; I231-A234 PolarHBondContact O-N 3.33Å; I231-A234 VanDerWaalsContact O-N 3.12Å; G232-A234 VanDerWaalsContact C-N 3.33Å; G232-A234 PolarHBondContact O-N 2.82Å
235	H	98.1	Very high	97.8	Very high	92 Å²	92	26.8 Å²	26.8	43%	0.426	15%	0.145	S	C	.	.	H	α-helix	trans	-86.2	-11.7	174.9	-77.3	-80.1	0	0	0	113.9	I187 I217 I231 G232 A233	I187-H235 HydrophobicContact CD1-CB 4.26Å; I217-H235 HydrophobicContact CD1-CB 4.49Å; I231-H235 PolarHBondContact O-CD2 3.02Å; I231-H235 VanDerWaalsContact O-CD2 3.29Å; I231-H235 PolarHBondContact O-N 3.13Å; I231-H235 VanDerWaalsContact O-N 3.16Å; G232-H235 PolarHBondContact O-N 3.22Å; A233-H235 VanDerWaalsContact C-N 3.31Å
236	A	98.4	Very high	98	Very high	5 Å²	5	25.3 Å²	25.3	4%	0.041	14%	0.138	C	C	.	.			trans	-75.7	137.8	-179	0	0	0	0	0	112.8	I187 G232 A233 L241 R334	I187-A236 VanDerWaalsContact CD1-CA 3.45Å; I187-A236 HydrophobicContact CD1-CB 3.75Å; G232-A236 PolarHBondContact O-N 3.01Å; G232-A236 VanDerWaalsContact O-N 3.12Å; A233-A236 WeakPolarHBondContact O-CB 2.99Å; A233-A236 PolarHBondContact O-N 3.19Å; A236-L241 HydrophobicContact CB-CD2 3.39Å; A236-R334 WeakPolarHBondContact O-CD 3.35Å
237	T	98.1	Very high	98.2	Very high	79 Å²	79	26.4 Å²	26.4	49%	0.485	14%	0.143	S	C	.	.			trans	-117.6	-12.9	-177.5	57.1	0	0	0	0	114	H184 E185	H184-T237 PolarHBondContact CD2-OG1 3.12Å; H184-T237 PolarHBondContact NE2-OG1 3.18Å; E185-T237 PolarHBondContact OE1-N 3.45Å; E185-T237 PolarHBondContact OE1-OG1 2.96Å
238	G	97.7	Very high	98.3	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.021	13%	0.134	C	C	.	.	S	Bend	trans	-65.8	164.5	174.3	0	0	0	0	0	113.1	S154 H184 R334	S154-G238 WeakPolarHBondContact OG-CA 3.49Å; S154-G238 PolarHBondContact OG-N 3.27Å; H184-G238 PolarHBondContact CD2-N 3.25Å; H184-G238 VanDerWaalsContact CD2-N 3.26Å; G238-R334 WeakPolarHBondContact O-CD 3.17Å; G238-R334 PolarHBondContact O-NE 3.32Å
239	E	98.4	Very high	98.3	Very high	116 Å²	116	24 Å²	24	54%	0.542	13%	0.134	S	C	.	.	S	Bend	trans	-74	-35.1	-179.1	-67.6	-178.4	-103.7	0	0	112.1	P151 A152 N333 R334	P151-E239 HydrophobicContact CB-CB 4.02Å; A152-E239 PolarHBondContact O-N 2.85Å; E239-N333 PolarHBondContact O-ND2 3.5Å; E239-R334 WeakPolarHBondContact O-CB 3.48Å; E239-R334 PolarHBondContact O-N 2.8Å
240	V	98.9	Very high	98.4	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.7	178.7	176.1	0	0	0	0	110.1	P151 A152 A153 S154 V242 L259 I262 A331	P151-V240 HydrophobicContact CB-CG2 4.06Å; P151-V240 HydrophobicContact CG-CG2 3.8Å; A152-V240 PolarHBondContact O-N 2.87Å; A152-V240 VanDerWaalsContact O-N 3.16Å; A153-V240 CarbonylContact C-O 3.52Å; A153-V240 VanDerWaalsContact CA-O 3.32Å; A153-V240 WeakPolarHBondContact CA-O 3.47Å; A153-V240 HydrophobicContact CB-CB 4.35Å; S154-V240 PolarHBondContact N-O 2.89Å; V240-V242 HydrophobicContact CG1-CG2 4.16Å; V240-L259 HydrophobicContact CB-CD2 3.89Å; V240-L259 HydrophobicContact CG1-CD2 3.76Å; V240-L259 HydrophobicContact CG2-CD2 3.9Å; V240-I262 HydrophobicContact CG1-CD1 3.65Å; V240-I262 HydrophobicContact CG2-CD1 4.38Å; V240-I262 HydrophobicContact CG2-CG2 4Å; V240-A331 HydrophobicContact CG1-CB 4.19Å
241	L	98.9	Very high	98.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	134	166.8	-62.1	175.3	0	0	0	108.8	A233 A236 F243 A331 M332 R334 F337	A233-L241 HydrophobicContact CB-CD1 3.78Å; A233-L241 HydrophobicContact CB-CD2 4.4Å; A236-L241 HydrophobicContact CB-CD2 3.39Å; L241-F243 HydrophobicContact CB-CE2 3.94Å; L241-F243 HydrophobicContact CB-CZ 4.28Å; L241-F243 HydrophobicContact CD1-CE2 4.2Å; L241-F243 HydrophobicContact CD1-CZ 4.01Å; L241-A331 CarbonylContact O-C 3.58Å; L241-A331 WeakPolarHBondContact O-CA 3.49Å; L241-M332 PolarHBondContact N-O 3.42Å; L241-M332 PolarHBondContact O-N 3.44Å; L241-R334 HydrophobicContact CD1-CB 4.25Å; L241-R334 HydrophobicContact CD1-CG 4.05Å; L241-R334 HydrophobicContact CD2-CB 4.23Å; L241-R334 HydrophobicContact CD2-CG 3.96Å; L241-R334 HydrophobicContact CG-CB 3.81Å; L241-R334 HydrophobicContact CG-CG 3.9Å; L241-F337 HydrophobicContact CD1-CB 3.94Å; L241-F337 HydrophobicContact CD1-CD1 3.67Å; L241-F337 HydrophobicContact CD1-CE1 4.39Å; L241-F337 HydrophobicContact CD1-CG 3.92Å
242	V	98.9	Very high	98.2	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	114.3	170.5	-175.6	0	0	0	0	108	A153 S154 V155 V156 V240 L244 W254 L255 A331	A153-V242 HydrophobicContact CB-CG2 3.82Å; S154-V242 PolarHBondContact O-N 3.21Å; V155-V242 CarbonylContact C-O 3.59Å; V155-V242 VanDerWaalsContact CA-O 3.32Å; V155-V242 WeakPolarHBondContact CA-O 3.38Å; V155-V242 HydrophobicContact CG2-CB 4.24Å; V156-V242 PolarHBondContact N-O 2.9Å; V240-V242 HydrophobicContact CG1-CG2 4.16Å; V242-L244 HydrophobicContact CG1-CG 4.45Å; V242-W254 HydrophobicContact CG1-CH2 3.68Å; V242-W254 HydrophobicContact CG1-CZ3 3.83Å; V242-L255 HydrophobicContact CG2-CD1 3.85Å; V242-A331 HydrophobicContact CB-CB 4.45Å; V242-A331 HydrophobicContact CG1-CB 4.44Å; V242-A331 HydrophobicContact CG2-CB 3.85Å
243	F	98.8	Very high	98	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.4	175.8	-62.4	-81.3	0	0	0	109.5	V156 R229 A233 L241 L329 F330 F337	V156-F243 HydrophobicContact CB-CD1 3.82Å; V156-F243 HydrophobicContact CB-CE1 3.98Å; V156-F243 HydrophobicContact CG1-CD1 4.03Å; V156-F243 HydrophobicContact CG1-CE1 4.03Å; V156-F243 HydrophobicContact CG2-CE1 4.31Å; R229-F243 HydrophobicContact CB-CD1 4.04Å; R229-F243 HydrophobicContact CB-CE1 3.74Å; R229-F243 HydrophobicContact CG-CD1 3.8Å; R229-F243 HydrophobicContact CG-CE1 4.04Å; A233-F243 HydrophobicContact CB-CZ 4.16Å; L241-F243 HydrophobicContact CB-CE2 3.94Å; L241-F243 HydrophobicContact CB-CZ 4.28Å; L241-F243 HydrophobicContact CD1-CE2 4.2Å; L241-F243 HydrophobicContact CD1-CZ 4.01Å; F243-L329 WeakPolarHBondContact O-CA 3.31Å; F243-F330 HydrophobicContact CB-CD1 4.16Å; F243-F330 HydrophobicContact CB-CE1 3.92Å; F243-F330 HydrophobicContact CB-CZ 4.46Å; F243-F330 HydrophobicContact CD2-CD1 4.16Å; F243-F330 HydrophobicContact CD2-CD2 4.14Å; F243-F330 AromaticContact CD2-CE1 3.52Å; F243-F330 HydrophobicContact CD2-CE1 3.52Å; F243-F330 AromaticContact CD2-CE2 3.51Å; F243-F330 HydrophobicContact CD2-CE2 3.51Å; F243-F330 HydrophobicContact CD2-CG 4.44Å; F243-F330 AromaticContact CD2-CZ 3.16Å; F243-F330 HydrophobicContact CD2-CZ 3.16Å; F243-F330 HydrophobicContact CE2-CE1 4.29Å; F243-F330 AromaticContact CE2-CE2 3.75Å; F243-F330 HydrophobicContact CE2-CE2 3.75Å; F243-F330 AromaticContact CE2-CZ 3.51Å; F243-F330 HydrophobicContact CE2-CZ 3.51Å; F243-F330 AromaticContact CG-CE1 3.92Å; F243-F330 HydrophobicContact CG-CE1 3.92Å; F243-F330 AromaticContact CG-CZ 3.98Å; F243-F330 HydrophobicContact CG-CZ 3.98Å; F243-F330 PolarHBondContact N-O 3.37Å; F243-F330 PolarHBondContact O-N 3.39Å; F243-F337 HydrophobicContact CZ-CZ 4.37Å
244	L	98.7	Very high	98	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.4	171.7	-67.9	179.9	0	0	0	109.5	V155 V156 I157 V174 V242 V250 W254 L329 V376	V155-L244 HydrophobicContact CG1-CD1 3.8Å; V155-L244 HydrophobicContact CG1-CG 4.17Å; V156-L244 PolarHBondContact O-N 3.4Å; I157-L244 HydrophobicContact CG1-CB 4.12Å; V174-L244 HydrophobicContact CG2-CD1 3.6Å; V242-L244 HydrophobicContact CG1-CG 4.45Å; L244-V250 HydrophobicContact CD1-CG1 4.1Å; L244-W254 HydrophobicContact CD1-CH2 3.79Å; L244-W254 HydrophobicContact CD1-CZ2 4.48Å; L244-W254 HydrophobicContact CD1-CZ3 4.31Å; L244-W254 HydrophobicContact CD2-CH2 4.32Å; L244-W254 HydrophobicContact CD2-CZ3 4.05Å; L244-W254 HydrophobicContact CG-CH2 4.32Å; L244-L329 HydrophobicContact CD2-CB 4.26Å; L244-L329 HydrophobicContact CD2-CD2 3.75Å; L244-L329 HydrophobicContact CD2-CG 3.84Å; L244-V376 HydrophobicContact CD2-CG1 4.3Å
245	D	98.1	Very high	98	Very high	26 Å²	26	24.8 Å²	24.8	14%	0.139	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	158.9	167.9	-66.2	-24.9	0	0	0	110	R229 H247 G328 H378	R229-D245 IonicContact NH2-OD1 3.76Å; R229-D245 PolarHBondContact NH2-OD1 3.47Å; D245-H247 PolarHBondContact O-N 3Å; D245-H247 VanDerWaalsContact O-N 3.08Å; D245-G328 WeakPolarHBondContact OD2-CA 3.49Å; D245-H378 IonicContact OD2-CD2 2.83Å; D245-H378 IonicContact OD2-NE2 3.72Å
246	S	97.8	Very high	98	Very high	7 Å²	7	21.9 Å²	21.9	5%	0.049	11%	0.113	C	C	.	.	S	Bend	trans	-75.5	8.4	-172	55.1	0	0	0	0	115.8	E162 A166 L167 T170	E162-S246 PolarHBondContact OE2-OG 3.23Å; A166-S246 CarbonylContact C-O 3.54Å; L167-S246 WeakPolarHBondContact CA-O 3.31Å; L167-S246 PolarHBondContact N-O 3.42Å; T170-S246 VanDerWaalsContact OG1-C 3.27Å; T170-S246 PolarHBondContact OG1-O 2.91Å; T170-S246 VanDerWaalsContact OG1-O 3.11Å
247	H	98	Very high	98	Very high	23 Å²	23	21.8 Å²	21.8	11%	0.106	11%	0.112	C	C	.	.	S	Bend	trans	-141.4	56.3	-177.3	40.8	-89.8	0	0	0	110.1	E162 A166 T170 D245 H378 I379 R381	E162-H247 IonicContact OE2-CE1 2.64Å; E162-H247 IonicContact OE2-CG 2.82Å; E162-H247 IonicContact OE2-ND1 2.74Å; E162-H247 PolarHBondContact OE2-ND1 3.26Å; A166-H247 HydrophobicContact CB-CB 4.33Å; T170-H247 WeakPolarHBondContact OG1-CA 3.23Å; T170-H247 PolarHBondContact OG1-N 3.4Å; D245-H247 PolarHBondContact O-N 3Å; D245-H247 VanDerWaalsContact O-N 3.08Å; H247-H378 AromaticContact CD2-CD2 3.88Å; H247-H378 AromaticContact CD2-CE1 3.87Å; H247-H378 AromaticContact CD2-NE2 3.42Å; H247-H378 PolarHBondContact CD2-NE2 3.42Å; H247-H378 AromaticContact NE2-CE1 3.8Å; H247-H378 AromaticContact NE2-NE2 3.27Å; H247-H378 PolarHBondContact NE2-NE2 3.43Å; H247-I379 HydrophobicContact CB-CB 4.17Å; H247-I379 HydrophobicContact CB-CD1 3.97Å; H247-I379 HydrophobicContact CB-CG1 4.16Å; H247-I379 PolarHBondContact O-N 2.9Å; H247-R381 PolarHBondContact ND1-NH2 2.88Å; H247-R381 VanDerWaalsContact ND1-NH2 3.19Å
248	C	98.6	Very high	98	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.014	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	154.5	-178	-73.8	0	0	0	0	111.6	T170 V376 G377	T170-C248 WeakPolarHBondContact CA-O 3.41Å; T170-C248 WeakPolarHBondContact CB-O 3.38Å; T170-C248 HydrophobicContact CG2-CB 3.96Å; T170-C248 PolarHBondContact OG1-N 2.69Å; T170-C248 PolarHBondContact OG1-O 2.95Å; T170-C248 VanDerWaalsContact OG1-O 3.08Å; C248-V376 HydrophobicContact CB-CG1 3.91Å; C248-G377 CarbonylContact C-O 3.06Å; C248-G377 WeakPolarHBondContact CA-O 3.46Å
249	E	98.6	Very high	98	Very high	3 Å²	3	18 Å²	18	1%	0.014	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	119.7	167.3	-67.3	174.9	-112.7	0	0	109	R131 V133 R169 S173 I277 G377	R131-E249 WeakPolarHBondContact CG-OE2 3.47Å; R131-E249 IonicContact CZ-OE1 2.9Å; R131-E249 VanDerWaalsContact CZ-OE1 3.26Å; R131-E249 IonicContact CZ-OE2 3.63Å; R131-E249 IonicContact NE-OE1 3.92Å; R131-E249 PolarHBondContact NE-OE1 3.46Å; R131-E249 IonicContact NE-OE2 2.84Å; R131-E249 PolarHBondContact NE-OE2 3.03Å; R131-E249 IonicContact NH2-OE1 2.74Å; R131-E249 PolarHBondContact NH2-OE1 2.65Å; R131-E249 IonicContact NH2-OE2 3.49Å; R131-E249 PolarHBondContact NH2-OE2 2.93Å; V133-E249 HydrophobicContact CG1-CB 4.4Å; V133-E249 WeakPolarHBondContact CG1-OE2 3.28Å; R169-E249 WeakPolarHBondContact CD-OE1 3.2Å; R169-E249 WeakPolarHBondContact CD-OE2 3.12Å; R169-E249 HydrophobicContact CG-CG 4.06Å; S173-E249 WeakPolarHBondContact OG-CA 3.23Å; E249-I277 HydrophobicContact CB-CD1 3.95Å; E249-I277 HydrophobicContact CG-CD1 4.05Å; E249-G377 PolarHBondContact N-O 2.91Å; E249-G377 PolarHBondContact O-N 2.96Å
250	V	98.7	Very high	98	Very high	1 Å²	1	13 Å²	13	1%	0.006	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	147.1	-176.3	-58.3	0	0	0	0	110.5	S173 V174 R177 L244 W254 V376	S173-V250 WeakPolarHBondContact O-CG2 3.48Å; S173-V250 PolarHBondContact OG-N 3.29Å; S173-V250 PolarHBondContact OG-O 3.24Å; V174-V250 HydrophobicContact CG2-CG1 4.1Å; R177-V250 HydrophobicContact CB-CG2 4.07Å; R177-V250 WeakPolarHBondContact CD-O 3.47Å; L244-V250 HydrophobicContact CD1-CG1 4.1Å; V250-W254 HydrophobicContact CB-CB 4.29Å; V250-W254 HydrophobicContact CB-CD2 3.65Å; V250-W254 HydrophobicContact CB-CE3 4.31Å; V250-W254 HydrophobicContact CB-CG 3.6Å; V250-W254 HydrophobicContact CB-CZ2 4.44Å; V250-W254 HydrophobicContact CG1-CD2 3.64Å; V250-W254 HydrophobicContact CG1-CE3 3.89Å; V250-W254 HydrophobicContact CG1-CG 4.16Å; V250-W254 HydrophobicContact CG1-CH2 4.04Å; V250-W254 HydrophobicContact CG1-CZ2 3.83Å; V250-W254 HydrophobicContact CG1-CZ3 4.08Å; V250-W254 HydrophobicContact CG2-CD2 4.31Å; V250-W254 HydrophobicContact CG2-CG 4.16Å; V250-V376 HydrophobicContact CB-CG2 4.38Å; V250-V376 HydrophobicContact CG1-CG1 3.91Å; V250-V376 HydrophobicContact CG1-CG2 3.99Å
251	N	97.5	Very high	97.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.072	C	C	.	.	P	Polyproline II helix	trans	-86	173	175.7	-145.3	-59.6	0	0	0	111.3	P134 T136 M253 W254 Y284 R375	P134-N251 PolarHBondContact O-ND2 2.73Å; T136-N251 PolarHBondContact OG1-ND2 3.01Å; N251-M253 PolarHBondContact O-N 3.19Å; N251-W254 WeakPolarHBondContact O-CB 3.11Å; N251-W254 PolarHBondContact O-N 3.34Å; N251-Y284 PolarHBondContact ND2-OH 3.49Å; N251-R375 HydrophobicContact CB-CB 3.97Å; N251-R375 VanDerWaalsContact CB-O 3.25Å; N251-R375 WeakPolarHBondContact CB-O 3.25Å; N251-R375 PolarHBondContact N-O 3.38Å
252	M	94.7	Very high	97.9	Very high	99 Å²	99	13.8 Å²	13.8	49%	0.488	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	136	174.2	-65.5	-60.6	-72.6	0	0	110.7	R137 R177 W254	R137-M252 PolarHBondContact NE-O 2.63Å; R177-M252 HydrophobicContact CB-SD 4.41Å; R177-M252 HydrophobicContact CG-SD 3.83Å; M252-W254 PolarHBondContact O-N 3.14Å
253	M	94.9	Very high	97.8	Very high	58 Å²	58	19.6 Å²	19.6	29%	0.286	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	34.3	178.3	-159	-165.2	-69.1	0	0	112.9	Y146 N251 Q256 P257	Y146-M253 HydrophobicContact CD2-SD 3.88Å; Y146-M253 HydrophobicContact CE2-CG 4.49Å; Y146-M253 HydrophobicContact CE2-SD 3.62Å; N251-M253 PolarHBondContact O-N 3.19Å; M253-Q256 VanDerWaalsContact CA-OE1 3.3Å; M253-Q256 HydrophobicContact CG-CB 4.23Å; M253-Q256 HydrophobicContact CG-CG 4.34Å; M253-P257 WeakPolarHBondContact O-CD 3.18Å; M253-P257 WeakPolarHBondContact O-CG 3.5Å
254	W	97.9	Very high	97.7	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	13%	0.132	C	C	.	.			trans	-69.7	-33.2	-179.4	74.2	-73	0	0	0	112.8	V174 T178 V242 L244 V250 N251 M252 L258 S374 V376	V174-W254 HydrophobicContact CG1-CZ2 4.44Å; V174-W254 HydrophobicContact CG2-CZ2 4.34Å; T178-W254 PolarHBondContact OG1-NE1 3.05Å; T178-W254 VanDerWaalsContact OG1-NE1 3.08Å; V242-W254 HydrophobicContact CG1-CH2 3.68Å; V242-W254 HydrophobicContact CG1-CZ3 3.83Å; L244-W254 HydrophobicContact CD1-CH2 3.79Å; L244-W254 HydrophobicContact CD1-CZ2 4.48Å; L244-W254 HydrophobicContact CD1-CZ3 4.31Å; L244-W254 HydrophobicContact CD2-CH2 4.32Å; L244-W254 HydrophobicContact CD2-CZ3 4.05Å; L244-W254 HydrophobicContact CG-CH2 4.32Å; V250-W254 HydrophobicContact CB-CB 4.29Å; V250-W254 HydrophobicContact CB-CD2 3.65Å; V250-W254 HydrophobicContact CB-CE3 4.31Å; V250-W254 HydrophobicContact CB-CG 3.6Å; V250-W254 HydrophobicContact CB-CZ2 4.44Å; V250-W254 HydrophobicContact CG1-CD2 3.64Å; V250-W254 HydrophobicContact CG1-CE3 3.89Å; V250-W254 HydrophobicContact CG1-CG 4.16Å; V250-W254 HydrophobicContact CG1-CH2 4.04Å; V250-W254 HydrophobicContact CG1-CZ2 3.83Å; V250-W254 HydrophobicContact CG1-CZ3 4.08Å; V250-W254 HydrophobicContact CG2-CD2 4.31Å; V250-W254 HydrophobicContact CG2-CG 4.16Å; N251-W254 WeakPolarHBondContact O-CB 3.11Å; N251-W254 PolarHBondContact O-N 3.34Å; M252-W254 PolarHBondContact O-N 3.14Å; W254-L258 HydrophobicContact CE3-CD1 4.24Å; W254-L258 HydrophobicContact CZ3-CD1 4.35Å; W254-S374 WeakPolarHBondContact O-CB 3.35Å; W254-S374 PolarHBondContact O-OG 3.26Å; W254-V376 HydrophobicContact CD2-CG2 4.31Å; W254-V376 HydrophobicContact CE3-CG2 3.57Å; W254-V376 HydrophobicContact CZ3-CG2 4.13Å
255	L	98.4	Very high	97.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-85.5	-41.3	-169.4	-176.4	60.3	0	0	0	112.8	A153 T178 L182 V242 P257 L258 L259	A153-L255 HydrophobicContact CB-CD1 4.38Å; A153-L255 HydrophobicContact CB-CD2 4.15Å; T178-L255 HydrophobicContact CG2-CB 4.49Å; T178-L255 HydrophobicContact CG2-CD2 3.46Å; T178-L255 VanDerWaalsContact CG2-CD2 3.46Å; L182-L255 HydrophobicContact CB-CD2 4.13Å; V242-L255 HydrophobicContact CG2-CD1 3.85Å; L255-P257 VanDerWaalsContact C-CD 3.48Å; L255-L258 WeakPolarHBondContact O-CA 3.16Å; L255-L258 WeakPolarHBondContact O-CB 3.02Å; L255-L258 PolarHBondContact O-N 2.96Å; L255-L259 HydrophobicContact CD1-CD1 4.17Å; L255-L259 HydrophobicContact CD1-CD2 4.1Å; L255-L259 HydrophobicContact CD1-CG 3.93Å; L255-L259 HydrophobicContact CD2-CD1 3.89Å; L255-L259 HydrophobicContact CG-CD1 3.61Å; L255-L259 HydrophobicContact CG-CD2 4.46Å; L255-L259 HydrophobicContact CG-CG 3.84Å; L255-L259 WeakPolarHBondContact O-CG 3.5Å; L255-L259 PolarHBondContact O-N 2.96Å
256	Q	97.8	Very high	97.6	Very high	30 Å²	30	31.8 Å²	31.8	14%	0.14	15%	0.149	C	C	.	.	H	α-helix	trans	-55.9	-45	-174.5	-60.1	86.8	-38.9	0	0	113.3	Y146 L150 P179 L182 M253 L258 L259 A260	Y146-Q256 HydrophobicContact CD2-CB 4.06Å; Y146-Q256 HydrophobicContact CG-CB 4.13Å; L150-Q256 HydrophobicContact CD1-CB 3.83Å; L150-Q256 HydrophobicContact CD1-CG 4.06Å; P179-Q256 VanDerWaalsContact CG-NE2 3.34Å; L182-Q256 HydrophobicContact CD1-CG 3.74Å; M253-Q256 VanDerWaalsContact CA-OE1 3.3Å; M253-Q256 HydrophobicContact CG-CB 4.23Å; M253-Q256 HydrophobicContact CG-CG 4.34Å; Q256-L258 VanDerWaalsContact C-N 3.25Å; Q256-L258 PolarHBondContact O-N 3.18Å; Q256-L259 PolarHBondContact O-N 3.23Å; Q256-A260 WeakPolarHBondContact O-CB 3.39Å; Q256-A260 PolarHBondContact O-N 2.72Å
257	P	97.7	Very high	97.6	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-62	-32.8	176.1	-18.2	29.5	0	0	0	113.1	Y146 M253 L255 I371 C373	Y146-P257 HydrophobicContact CE1-CB 3.91Å; Y146-P257 HydrophobicContact CE1-CG 4.18Å; Y146-P257 HydrophobicContact CE2-CB 4.49Å; Y146-P257 HydrophobicContact CE2-CG 3.87Å; Y146-P257 WeakPolarHBondContact OH-CB 3.36Å; Y146-P257 WeakPolarHBondContact OH-CG 3.42Å; M253-P257 WeakPolarHBondContact O-CD 3.18Å; M253-P257 WeakPolarHBondContact O-CG 3.5Å; L255-P257 VanDerWaalsContact C-CD 3.48Å; P257-I371 HydrophobicContact CB-CG2 3.56Å; P257-C373 HydrophobicContact CB-CB 4.36Å; P257-C373 HydrophobicContact CG-CB 4.2Å
258	L	98.5	Very high	97.6	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-71	-48.1	177.7	-56.9	179.1	0	0	0	110.5	W254 L255 Q256 A260 A261 I262 V270 A331 I371 S374	W254-L258 HydrophobicContact CE3-CD1 4.24Å; W254-L258 HydrophobicContact CZ3-CD1 4.35Å; L255-L258 WeakPolarHBondContact O-CA 3.16Å; L255-L258 WeakPolarHBondContact O-CB 3.02Å; L255-L258 PolarHBondContact O-N 2.96Å; Q256-L258 VanDerWaalsContact C-N 3.25Å; Q256-L258 PolarHBondContact O-N 3.18Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 2.94Å; L258-A261 PolarHBondContact O-N 3.4Å; L258-I262 WeakPolarHBondContact O-CG1 3.48Å; L258-I262 PolarHBondContact O-N 2.87Å; L258-V270 HydrophobicContact CB-CG2 3.72Å; L258-V270 HydrophobicContact CD2-CB 4.05Å; L258-V270 HydrophobicContact CD2-CG2 3.78Å; L258-V270 HydrophobicContact CG-CG2 4.3Å; L258-A331 HydrophobicContact CB-CB 4.38Å; L258-A331 HydrophobicContact CD1-CB 4.35Å; L258-I371 HydrophobicContact CD2-CB 3.89Å; L258-I371 HydrophobicContact CD2-CG1 3.82Å; L258-S374 WeakPolarHBondContact CD1-OG 3.3Å; L258-S374 WeakPolarHBondContact CD2-OG 3.49Å; L258-S374 WeakPolarHBondContact CG-OG 3.37Å
259	L	98.6	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.4	-36.7	-179.1	-62.4	178.5	0	0	0	112.4	L150 P151 A153 L182 V240 L255 Q256 A261 I262 R263	L150-L259 HydrophobicContact CB-CB 4.1Å; L150-L259 HydrophobicContact CB-CD1 4.16Å; L150-L259 HydrophobicContact CD1-CB 4.18Å; L150-L259 HydrophobicContact CD2-CB 4.14Å; L150-L259 HydrophobicContact CG-CB 4.37Å; P151-L259 HydrophobicContact CG-CB 4.44Å; P151-L259 HydrophobicContact CG-CD2 4.42Å; P151-L259 VanDerWaalsContact O-CD1 3.31Å; P151-L259 WeakPolarHBondContact O-CD1 3.17Å; A153-L259 HydrophobicContact CB-CD2 4.2Å; L182-L259 HydrophobicContact CB-CD1 4.29Å; L182-L259 HydrophobicContact CD1-CD1 4.2Å; L182-L259 HydrophobicContact CD2-CD1 4.21Å; L182-L259 HydrophobicContact CG-CD1 4.46Å; V240-L259 HydrophobicContact CB-CD2 3.89Å; V240-L259 HydrophobicContact CG1-CD2 3.76Å; V240-L259 HydrophobicContact CG2-CD2 3.9Å; L255-L259 HydrophobicContact CD1-CD1 4.17Å; L255-L259 HydrophobicContact CD1-CD2 4.1Å; L255-L259 HydrophobicContact CD1-CG 3.93Å; L255-L259 HydrophobicContact CD2-CD1 3.89Å; L255-L259 HydrophobicContact CG-CD1 3.61Å; L255-L259 HydrophobicContact CG-CD2 4.46Å; L255-L259 HydrophobicContact CG-CG 3.84Å; L255-L259 WeakPolarHBondContact O-CG 3.5Å; L255-L259 PolarHBondContact O-N 2.96Å; Q256-L259 PolarHBondContact O-N 3.23Å; L259-A261 VanDerWaalsContact C-N 3.35Å; L259-A261 PolarHBondContact O-N 2.72Å; L259-I262 PolarHBondContact O-N 3.46Å; L259-R263 VanDerWaalsContact O-CB 3.28Å; L259-R263 WeakPolarHBondContact O-CB 3.48Å; L259-R263 PolarHBondContact O-N 3.37Å
260	A	97.6	Very high	97.7	Very high	11 Å²	11	33.7 Å²	33.7	9%	0.091	16%	0.157	C	C	.	.	H	α-helix	trans	-58.9	-46.3	177.1	0	0	0	0	0	111.5	Y146 L150 Q256 L258 I262 R263 E264	Y146-A260 HydrophobicContact CD1-CB 3.74Å; Y146-A260 HydrophobicContact CE1-CB 4.35Å; L150-A260 HydrophobicContact CD2-CB 4.05Å; Q256-A260 WeakPolarHBondContact O-CB 3.39Å; Q256-A260 PolarHBondContact O-N 2.72Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 2.94Å; A260-I262 PolarHBondContact O-N 2.98Å; A260-R263 PolarHBondContact O-N 3.5Å; A260-E264 WeakPolarHBondContact O-CG 3.31Å; A260-E264 PolarHBondContact O-N 3.23Å; A260-E264 VanDerWaalsContact O-N 3.14Å
261	A	97	Very high	97.6	Very high	13 Å²	13	34 Å²	34	11%	0.107	16%	0.16	C	C	.	.	H	α-helix	trans	-65.6	-38.3	178.1	0	0	0	0	0	113.1	L258 L259 D265 T268 V270 I371	L258-A261 PolarHBondContact O-N 3.4Å; L259-A261 VanDerWaalsContact C-N 3.35Å; L259-A261 PolarHBondContact O-N 2.72Å; A261-D265 PolarHBondContact O-N 2.57Å; A261-T268 HydrophobicContact CB-CG2 4.49Å; A261-V270 HydrophobicContact CB-CG1 3.78Å; A261-I371 HydrophobicContact CB-CD1 4.24Å
262	I	98.4	Very high	97.7	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-70.2	-35	176.6	-63.2	166.8	0	0	0	111.2	V240 L258 L259 A260 E264 D265 R266 V270 A331 N333	V240-I262 HydrophobicContact CG1-CD1 3.65Å; V240-I262 HydrophobicContact CG2-CD1 4.38Å; V240-I262 HydrophobicContact CG2-CG2 4Å; L258-I262 WeakPolarHBondContact O-CG1 3.48Å; L258-I262 PolarHBondContact O-N 2.87Å; L259-I262 PolarHBondContact O-N 3.46Å; A260-I262 PolarHBondContact O-N 2.98Å; I262-E264 VanDerWaalsContact C-N 3.34Å; I262-D265 CarbonylContact O-C 3.58Å; I262-D265 PolarHBondContact O-N 3.12Å; I262-R266 PolarHBondContact O-N 3.41Å; I262-V270 HydrophobicContact CD1-CG2 3.81Å; I262-V270 HydrophobicContact CG1-CG2 3.92Å; I262-A331 HydrophobicContact CD1-CB 3.77Å; I262-N333 HydrophobicContact CG2-CB 4.09Å
263	R	97.1	Very high	97.8	Very high	123 Å²	123	29.9 Å²	29.9	46%	0.464	14%	0.14	S	C	.	.	H	α-helix	trans	-65.1	-38.4	177.5	176.5	-179.6	160.3	101.5	2.2	111.8	D149 L259 A260	D149-R263 VanDerWaalsContact CG-NH2 3.26Å; D149-R263 PolarHBondContact O-NH1 2.63Å; D149-R263 IonicContact OD1-CZ 2.8Å; D149-R263 VanDerWaalsContact OD1-CZ 3.32Å; D149-R263 IonicContact OD1-NE 2.8Å; D149-R263 IonicContact OD1-NH1 2.65Å; D149-R263 PolarHBondContact OD1-NH1 3.24Å; D149-R263 IonicContact OD1-NH2 3.7Å; D149-R263 PolarHBondContact OD1-NH2 3.32Å; D149-R263 IonicContact OD2-CZ 2.63Å; D149-R263 IonicContact OD2-NH1 3.6Å; D149-R263 PolarHBondContact OD2-NH1 3.08Å; D149-R263 IonicContact OD2-NH2 3.7Å; D149-R263 PolarHBondContact OD2-NH2 3.46Å; L259-R263 VanDerWaalsContact O-CB 3.28Å; L259-R263 WeakPolarHBondContact O-CB 3.48Å; L259-R263 PolarHBondContact O-N 3.37Å; A260-R263 PolarHBondContact O-N 3.5Å
264	E	96.3	Very high	97.9	Very high	171 Å²	171	28.1 Å²	28.1	80%	0.799	13%	0.131	S	C	*	.	H	α-helix	trans	-64.6	-40.6	177.2	-73.6	176.1	-173.6	0	0	112.5	A260 I262	A260-E264 WeakPolarHBondContact O-CG 3.31Å; A260-E264 PolarHBondContact O-N 3.23Å; A260-E264 VanDerWaalsContact O-N 3.14Å; I262-E264 VanDerWaalsContact C-N 3.34Å
265	D	97.6	Very high	97.9	Very high	44 Å²	44	28 Å²	28	24%	0.235	13%	0.131	C	C	.	.			trans	-147.8	113.2	176.2	179.1	-3.4	0	0	0	110.3	A261 I262 H267 T268 K367	A261-D265 PolarHBondContact O-N 2.57Å; I262-D265 CarbonylContact O-C 3.58Å; I262-D265 PolarHBondContact O-N 3.12Å; D265-H267 PolarHBondContact O-N 3.47Å; D265-H267 IonicContact OD1-CG 3.4Å; D265-H267 PolarHBondContact OD1-N 2.63Å; D265-H267 IonicContact OD1-ND1 3.82Å; D265-T268 WeakPolarHBondContact CB-OG1 3.47Å; D265-T268 WeakPolarHBondContact O-CB 3.17Å; D265-T268 PolarHBondContact O-N 2.95Å; D265-T268 PolarHBondContact O-OG1 2.62Å; D265-T268 VanDerWaalsContact O-OG1 3.14Å; D265-K367 WeakPolarHBondContact OD2-CE 3.43Å; D265-K367 IonicContact OD2-NZ 3.71Å; D265-K367 PolarHBondContact OD2-NZ 3.35Å
266	R	97.6	Very high	97.7	Very high	72 Å²	72	31.3 Å²	31.3	27%	0.272	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.3	-178.7	-166.5	-173	73	113.1	-0.9	113.6	I262 T268 N333 Q335 Y336 E339	I262-R266 PolarHBondContact O-N 3.41Å; R266-T268 PolarHBondContact O-N 3.38Å; R266-N333 WeakPolarHBondContact CD-OD1 3.2Å; R266-N333 HydrophobicContact CG-CB 3.46Å; R266-N333 VanDerWaalsContact CG-CB 3.46Å; R266-N333 WeakPolarHBondContact CG-OD1 3.19Å; R266-N333 PolarHBondContact NH1-OD1 2.81Å; R266-Q335 VanDerWaalsContact NH1-CG 3.35Å; R266-Y336 VanDerWaalsContact NH1-N 3.11Å; R266-E339 IonicContact CZ-OE1 3.55Å; R266-E339 VanDerWaalsContact CZ-OE1 3.28Å; R266-E339 IonicContact CZ-OE2 3.2Å; R266-E339 IonicContact NH1-OE1 3.87Å; R266-E339 PolarHBondContact NH1-OE1 3.08Å; R266-E339 IonicContact NH1-OE2 3.66Å; R266-E339 IonicContact NH2-OE1 3.04Å; R266-E339 PolarHBondContact NH2-OE1 2.73Å; R266-E339 IonicContact NH2-OE2 3.91Å; R266-E339 PolarHBondContact NH2-OE2 3.2Å
267	H	98.3	Very high	97.6	Very high	67 Å²	67	29.9 Å²	29.9	31%	0.31	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	7.2	178.8	-56	138.7	0	0	0	113.3	D265 Y336 G366 K367	D265-H267 PolarHBondContact O-N 3.47Å; D265-H267 IonicContact OD1-CG 3.4Å; D265-H267 PolarHBondContact OD1-N 2.63Å; D265-H267 IonicContact OD1-ND1 3.82Å; H267-Y336 HydrophobicContact CB-CE1 4.12Å; H267-Y336 HydrophobicContact CB-CE2 4.16Å; H267-Y336 AromaticContact CD2-CD2 3.31Å; H267-Y336 WeakPolarHBondContact CD2-CD2 3.46Å; H267-Y336 AromaticContact CD2-CE2 3.38Å; H267-Y336 WeakPolarHBondContact CD2-CE2 3.14Å; H267-Y336 AromaticContact CD2-CG 3.87Å; H267-Y336 AromaticContact CG-CE2 3.97Å; H267-Y336 WeakPolarHBondContact O-CE1 3.34Å; H267-G366 WeakPolarHBondContact O-CA 3.35Å; H267-K367 PolarHBondContact O-N 2.86Å; H267-K367 VanDerWaalsContact O-N 3.08Å
268	T	98.5	Very high	97.3	Very high	7 Å²	7	31 Å²	31	4%	0.043	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.9	175.1	-60.5	0	0	0	0	110.9	A261 D265 R266 V270 F369	A261-T268 HydrophobicContact CB-CG2 4.49Å; D265-T268 WeakPolarHBondContact CB-OG1 3.47Å; D265-T268 WeakPolarHBondContact O-CB 3.17Å; D265-T268 PolarHBondContact O-N 2.95Å; D265-T268 PolarHBondContact O-OG1 2.62Å; D265-T268 VanDerWaalsContact O-OG1 3.14Å; R266-T268 PolarHBondContact O-N 3.38Å; T268-V270 HydrophobicContact CG2-CG1 3.69Å; T268-F369 HydrophobicContact CG2-CD2 3.63Å; T268-F369 HydrophobicContact CG2-CE2 4Å
269	V	98.8	Very high	96.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.4	171.2	-178.1	0	0	0	0	107.9	M325 F330 M332 Y336 I361 K367 L368 F369	V269-M325 HydrophobicContact CG1-CE 4.42Å; V269-F330 HydrophobicContact CG1-CD2 3.85Å; V269-M332 HydrophobicContact CB-CB 4.39Å; V269-M332 HydrophobicContact CG1-CB 4.2Å; V269-M332 HydrophobicContact CG2-CB 3.87Å; V269-M332 HydrophobicContact CG2-CE 4.03Å; V269-M332 HydrophobicContact CG2-SD 4.38Å; V269-Y336 HydrophobicContact CG2-CD1 4.45Å; V269-Y336 HydrophobicContact CG2-CE1 4.15Å; V269-I361 HydrophobicContact CB-CD1 3.92Å; V269-I361 HydrophobicContact CG1-CD1 3.93Å; V269-I361 HydrophobicContact CG2-CD1 3.65Å; V269-I361 HydrophobicContact CG2-CG1 3.96Å; V269-I361 HydrophobicContact CG2-CG2 4.17Å; V269-K367 PolarHBondContact N-O 2.9Å; V269-L368 HydrophobicContact CB-CD1 3.95Å; V269-L368 HydrophobicContact CG1-CD1 3.75Å; V269-L368 WeakPolarHBondContact O-CA 3.35Å; V269-F369 PolarHBondContact O-N 2.77Å
270	V	98.6	Very high	96.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141.7	-172.9	-65.6	0	0	0	0	112	L258 A261 I262 T268 F330 A331 F369 I371	L258-V270 HydrophobicContact CB-CG2 3.72Å; L258-V270 HydrophobicContact CD2-CB 4.05Å; L258-V270 HydrophobicContact CD2-CG2 3.78Å; L258-V270 HydrophobicContact CG-CG2 4.3Å; A261-V270 HydrophobicContact CB-CG1 3.78Å; I262-V270 HydrophobicContact CD1-CG2 3.81Å; I262-V270 HydrophobicContact CG1-CG2 3.92Å; T268-V270 HydrophobicContact CG2-CG1 3.69Å; V270-F330 CarbonylContact O-C 3.11Å; V270-F330 VanDerWaalsContact O-CA 3.28Å; V270-F330 WeakPolarHBondContact O-CA 3.31Å; V270-F330 WeakPolarHBondContact O-CB 3.36Å; V270-A331 HydrophobicContact CG2-CB 3.97Å; V270-A331 PolarHBondContact N-O 3.14Å; V270-A331 PolarHBondContact O-N 3.11Å; V270-F369 CarbonylContact C-O 3.49Å; V270-F369 WeakPolarHBondContact CA-O 3.19Å; V270-F369 HydrophobicContact CG1-CB 4.4Å; V270-I371 HydrophobicContact CB-CD1 4.44Å; V270-I371 HydrophobicContact CB-CG1 3.84Å; V270-I371 HydrophobicContact CG1-CD1 3.98Å; V270-I371 HydrophobicContact CG1-CG1 3.92Å
271	C	98.6	Very high	95.9	Very high	8 Å²	8	31.8 Å²	31.8	5%	0.054	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.5	174.6	-58.4	0	0	0	0	109.5	M325 F369 I370 I371	C271-M325 VanDerWaalsContact SG-CB 3.57Å; C271-F369 PolarHBondContact N-O 3.3Å; C271-I370 HydrophobicContact CB-CG1 4.16Å; C271-I370 CarbonylContact O-C 3.52Å; C271-I370 WeakPolarHBondContact O-CA 3.14Å; C271-I371 PolarHBondContact O-N 3.14Å
272	P	98.3	Very high	95.7	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.039	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	162.6	164.2	32.1	-35.3	0	0	0	110.4	I274 L329 S374 V376	P272-I274 PolarHBondContact O-N 3.06Å; P272-L329 HydrophobicContact CG-CB 3.91Å; P272-L329 HydrophobicContact CG-CD2 4.26Å; P272-S374 WeakPolarHBondContact CA-O 3.39Å; P272-S374 WeakPolarHBondContact CB-OG 3.41Å; P272-V376 HydrophobicContact CB-CB 4.42Å; P272-V376 HydrophobicContact CB-CG2 3.84Å; P272-V376 HydrophobicContact CG-CB 4.27Å; P272-V376 HydrophobicContact CG-CG2 3.85Å
273	V	97.4	Very high	95.3	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	127.5	159	171.9	0	0	0	0	108.2	D275 I370 S374 R375 V376	V273-D275 PolarHBondContact O-N 3.11Å; V273-I370 HydrophobicContact CG2-CG2 3.68Å; V273-S374 PolarHBondContact N-O 2.81Å; V273-R375 HydrophobicContact CB-CG 4.24Å; V273-R375 WeakPolarHBondContact O-CA 3.48Å; V273-V376 PolarHBondContact O-N 3.5Å
274	I	97.4	Very high	95.1	Very high	20 Å²	20	27.7 Å²	27.7	10%	0.103	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	104.2	-179	-53.3	175.7	0	0	0	108.5	P272 S287 W302 A326 L329 V376 H378 F380	P272-I274 PolarHBondContact O-N 3.06Å; I274-S287 WeakPolarHBondContact O-CB 3.37Å; I274-S287 PolarHBondContact O-OG 2.97Å; I274-W302 HydrophobicContact CD1-CH2 4.15Å; I274-W302 HydrophobicContact CD1-CZ2 4.37Å; I274-A326 HydrophobicContact CD1-CB 3.95Å; I274-L329 HydrophobicContact CD1-CD1 4.24Å; I274-V376 CarbonylContact C-O 3.57Å; I274-V376 WeakPolarHBondContact CA-O 3.31Å; I274-H378 HydrophobicContact CG2-CB 3.57Å; I274-F380 HydrophobicContact CG2-CE2 4.01Å; I274-F380 HydrophobicContact CG2-CZ 3.7Å
275	D	97.2	Very high	94.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	160.6	174.4	-79.1	-20.5	0	0	0	110.9	T136 V273 Y284 S285 S286 S287 R375 V376 G377 H378	T136-D275 WeakPolarHBondContact CB-OD2 3.46Å; T136-D275 PolarHBondContact OG1-OD2 3.22Å; V273-D275 PolarHBondContact O-N 3.11Å; D275-Y284 HydrophobicContact CB-CE1 3.6Å; D275-Y284 HydrophobicContact CB-CE2 4.48Å; D275-Y284 WeakPolarHBondContact CB-OH 3.36Å; D275-Y284 WeakPolarHBondContact OD2-CE1 3.45Å; D275-Y284 PolarHBondContact OD2-OH 3.38Å; D275-S285 WeakPolarHBondContact CB-O 3.35Å; D275-S286 WeakPolarHBondContact OD1-CA 3.38Å; D275-S287 WeakPolarHBondContact CA-OG 3.43Å; D275-S287 PolarHBondContact OD1-N 2.9Å; D275-R375 IonicContact OD1-NH1 2.89Å; D275-R375 PolarHBondContact OD1-NH1 3.29Å; D275-R375 VanDerWaalsContact OD1-NH1 3.1Å; D275-R375 WeakPolarHBondContact OD2-CD 3.37Å; D275-R375 IonicContact OD2-NH1 2.8Å; D275-V376 PolarHBondContact N-O 3.48Å; D275-G377 WeakPolarHBondContact O-CA 3.37Å; D275-H378 PolarHBondContact O-N 2.83Å
276	I	94.1	Very high	94.6	Very high	68 Å²	68	23 Å²	23	35%	0.349	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.7	-175.1	-64.3	163.2	0	0	0	109.5	Y284 S285 F380	I276-Y284 CarbonylContact O-C 3.58Å; I276-Y284 WeakPolarHBondContact O-CA 3.19Å; I276-S285 PolarHBondContact N-O 3.49Å; I276-S285 PolarHBondContact O-N 2.84Å; I276-S285 PolarHBondContact O-OG 3.44Å; I276-F380 HydrophobicContact CB-CD2 4.13Å; I276-F380 HydrophobicContact CB-CE2 4.35Å; I276-F380 HydrophobicContact CG1-CD2 3.87Å; I276-F380 HydrophobicContact CG1-CE2 3.82Å; I276-F380 HydrophobicContact CG2-CD2 4.04Å
277	I	95.8	Very high	94.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.3	159.3	-56.7	167.7	0	0	0	107	E249 A279 L282 A283 Y284 G377 H378 I379 F380	E249-I277 HydrophobicContact CB-CD1 3.95Å; E249-I277 HydrophobicContact CG-CD1 4.05Å; I277-A279 PolarHBondContact O-N 3.44Å; I277-L282 HydrophobicContact CG2-CB 4.44Å; I277-L282 HydrophobicContact CG2-CD1 4.02Å; I277-A283 WeakPolarHBondContact CA-O 3.17Å; I277-Y284 HydrophobicContact CD1-CD2 4.2Å; I277-Y284 HydrophobicContact CG1-CD2 3.87Å; I277-Y284 HydrophobicContact CG1-CG 4.42Å; I277-G377 VanDerWaalsContact CD1-C 3.47Å; I277-H378 PolarHBondContact N-O 2.97Å; I277-I379 HydrophobicContact CB-CG1 3.97Å; I277-I379 HydrophobicContact CD1-CG1 4.37Å; I277-I379 HydrophobicContact CG2-CG1 3.81Å; I277-I379 WeakPolarHBondContact O-CA 3.41Å; I277-F380 PolarHBondContact O-N 3.31Å; I277-F380 VanDerWaalsContact O-N 3.17Å
278	S	91.1	Very high	93.7	Very high	29 Å²	29	21.6 Å²	21.6	20%	0.203	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	129.4	-179.3	171.9	0	0	0	0	111	D280 T281 L282 A283	S278-D280 PolarHBondContact O-N 3.41Å; S278-D280 PolarHBondContact OG-N 2.85Å; S278-T281 VanDerWaalsContact CB-OG1 3.23Å; S278-T281 WeakPolarHBondContact CB-OG1 3.24Å; S278-T281 PolarHBondContact OG-N 3.43Å; S278-T281 PolarHBondContact OG-OG1 2.87Å; S278-L282 WeakPolarHBondContact O-CA 3.4Å; S278-L282 PolarHBondContact O-N 3.48Å; S278-A283 PolarHBondContact N-O 3.39Å
279	A	91.3	Very high	93	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.033	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.6	174.5	0	0	0	0	0	113.1	F119 N120 I277 I379 F380	F119-A279 CarbonylContact C-O 3.59Å; F119-A279 WeakPolarHBondContact CA-O 3.29Å; F119-A279 HydrophobicContact CB-CB 3.75Å; F119-A279 WeakPolarHBondContact CB-O 3.4Å; N120-A279 PolarHBondContact N-O 3.13Å; I277-A279 PolarHBondContact O-N 3.44Å; A279-I379 HydrophobicContact CB-CG2 4.23Å; A279-F380 WeakPolarHBondContact CB-O 3.5Å
280	D	87.1	Confident	92.6	Very high	12 Å²	12	24.7 Å²	24.7	6%	0.064	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-36.4	-176.4	-55.8	-58.4	0	0	0	113.2	Y114 N120 I123 S278 K382	Y114-D280 WeakPolarHBondContact CE1-OD1 3.46Å; Y114-D280 VanDerWaalsContact OH-CA 3.3Å; Y114-D280 WeakPolarHBondContact OH-CA 3.44Å; Y114-D280 WeakPolarHBondContact OH-CB 3.4Å; Y114-D280 PolarHBondContact OH-OD1 3.25Å; N120-D280 WeakPolarHBondContact CB-O 3.31Å; N120-D280 PolarHBondContact ND2-O 3.47Å; I123-D280 VanDerWaalsContact CD1-O 3.25Å; I123-D280 WeakPolarHBondContact CD1-O 3.32Å; S278-D280 PolarHBondContact O-N 3.41Å; S278-D280 PolarHBondContact OG-N 2.85Å; D280-K382 IonicContact OD1-NZ 2.73Å; D280-K382 PolarHBondContact OD1-NZ 3.27Å; D280-K382 WeakPolarHBondContact OD2-CE 3.42Å; D280-K382 IonicContact OD2-NZ 3.22Å; D280-K382 PolarHBondContact OD2-NZ 3.46Å
281	T	87.4	Confident	92.3	Very high	12 Å²	12	25.1 Å²	25.1	7%	0.074	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-16.5	-173	68.8	0	0	0	0	112.9	F94 S278 A283 V573	F94-T281 WeakPolarHBondContact CZ-O 3.2Å; S278-T281 VanDerWaalsContact CB-OG1 3.23Å; S278-T281 WeakPolarHBondContact CB-OG1 3.24Å; S278-T281 PolarHBondContact OG-N 3.43Å; S278-T281 PolarHBondContact OG-OG1 2.87Å; T281-A283 PolarHBondContact O-N 3.06Å; T281-A283 WeakPolarHBondContact OG1-CB 3.4Å; T281-A283 PolarHBondContact OG1-N 3.43Å; T281-V573 HydrophobicContact CG2-CB 4.41Å; T281-V573 HydrophobicContact CG2-CG1 3.54Å
282	L	92.1	Very high	92.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.155	C	C	.	.			trans	59.8	16.9	-172.3	-67	-68.4	0	0	0	113	F119 N120 I123 L127 R131 I277 S278 I379	F119-L282 HydrophobicContact CD2-CD1 4.41Å; N120-L282 HydrophobicContact CB-CD2 3.98Å; I123-L282 HydrophobicContact CB-CD2 3.92Å; I123-L282 HydrophobicContact CB-CG 4.33Å; I123-L282 HydrophobicContact CD1-CD2 4.49Å; I123-L282 HydrophobicContact CG2-CB 3.83Å; I123-L282 HydrophobicContact CG2-CD2 3.98Å; I123-L282 HydrophobicContact CG2-CG 3.94Å; L127-L282 HydrophobicContact CD1-CB 3.8Å; L127-L282 HydrophobicContact CD1-CG 4.32Å; R131-L282 PolarHBondContact NH1-O 2.8Å; R131-L282 PolarHBondContact NH2-O 2.94Å; I277-L282 HydrophobicContact CG2-CB 4.44Å; I277-L282 HydrophobicContact CG2-CD1 4.02Å; S278-L282 WeakPolarHBondContact O-CA 3.4Å; S278-L282 PolarHBondContact O-N 3.48Å; L282-I379 HydrophobicContact CD1-CD1 3.66Å; L282-I379 HydrophobicContact CD1-CG1 4.24Å
283	A	90.7	Very high	92	Very high	32 Å²	32	24.5 Å²	24.5	26%	0.264	15%	0.154	S	C	.	.			trans	-68.3	132.6	172.5	0	0	0	0	0	109.9	F94 I277 S278 T281	F94-A283 HydrophobicContact CE1-CB 3.92Å; F94-A283 HydrophobicContact CZ-CB 3.75Å; I277-A283 WeakPolarHBondContact CA-O 3.17Å; S278-A283 PolarHBondContact N-O 3.39Å; T281-A283 PolarHBondContact O-N 3.06Å; T281-A283 WeakPolarHBondContact OG1-CB 3.4Å; T281-A283 PolarHBondContact OG1-N 3.43Å
284	Y	93.4	Very high	91.9	Very high	22 Å²	22	24.1 Å²	24.1	9%	0.086	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	125.7	175.5	-171.9	-64.5	0	0	0	109.3	V133 P134 T136 N251 D275 I276 I277 G377	V133-Y284 HydrophobicContact CB-CD2 4.01Å; V133-Y284 HydrophobicContact CB-CE2 4.34Å; V133-Y284 HydrophobicContact CB-CG 4.3Å; V133-Y284 HydrophobicContact CG1-CD2 3.92Å; V133-Y284 HydrophobicContact CG1-CE2 4.45Å; V133-Y284 HydrophobicContact CG1-CG 4.49Å; P134-Y284 HydrophobicContact CG-CD1 3.89Å; P134-Y284 HydrophobicContact CG-CG 4.39Å; T136-Y284 HydrophobicContact CG2-CD1 3.91Å; T136-Y284 HydrophobicContact CG2-CE1 3.55Å; N251-Y284 PolarHBondContact ND2-OH 3.49Å; D275-Y284 HydrophobicContact CB-CE1 3.6Å; D275-Y284 HydrophobicContact CB-CE2 4.48Å; D275-Y284 WeakPolarHBondContact CB-OH 3.36Å; D275-Y284 WeakPolarHBondContact OD2-CE1 3.45Å; D275-Y284 PolarHBondContact OD2-OH 3.38Å; I276-Y284 CarbonylContact O-C 3.58Å; I276-Y284 WeakPolarHBondContact O-CA 3.19Å; I277-Y284 HydrophobicContact CD1-CD2 4.2Å; I277-Y284 HydrophobicContact CG1-CD2 3.87Å; I277-Y284 HydrophobicContact CG1-CG 4.42Å; Y284-G377 VanDerWaalsContact CE2-CA 3.42Å; Y284-G377 PolarHBondContact OH-N 3.48Å
285	S	91.1	Very high	91.6	Very high	55 Å²	55	26.3 Å²	26.3	39%	0.385	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.8	178.3	63.1	0	0	0	0	112.6	D275 I276 S287	D275-S285 WeakPolarHBondContact CB-O 3.35Å; I276-S285 PolarHBondContact N-O 3.49Å; I276-S285 PolarHBondContact O-N 2.84Å; I276-S285 PolarHBondContact O-OG 3.44Å; S285-S287 PolarHBondContact O-N 3.49Å
286	S	92.1	Very high	91.3	Very high	63 Å²	63	28.2 Å²	28.2	44%	0.441	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-64.5	132	177.5	173.7	0	0	0	0	111	D275 R375	D275-S286 WeakPolarHBondContact OD1-CA 3.38Å; S286-R375 PolarHBondContact OG-NH1 2.83Å
287	S	88.8	Confident	91.2	Very high	14 Å²	14	25.7 Å²	25.7	10%	0.098	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-83	152.4	164.9	-74.4	0	0	0	0	111.5	I274 D275 S285	I274-S287 WeakPolarHBondContact O-CB 3.37Å; I274-S287 PolarHBondContact O-OG 2.97Å; D275-S287 WeakPolarHBondContact CA-OG 3.43Å; D275-S287 PolarHBondContact OD1-N 2.9Å; S285-S287 PolarHBondContact O-N 3.49Å
288	P	86.9	Confident	91.1	Very high	94 Å²	94	25.7 Å²	25.7	61%	0.61	16%	0.162	S	C	*	.	P	Polyproline II helix	trans	-64.8	154.3	165.2	29.7	-34.2	0	0	0	110.2	V290	P288-V290 HydrophobicContact CG-CG1 4.22Å; P288-V290 PolarHBondContact O-N 3.32Å
289	V	84.8	Confident	91.2	Very high	44 Å²	44	29.1 Å²	29.1	27%	0.267	17%	0.174	S	C	.	.			trans	-76.6	112.6	174	-175.2	0	0	0	0	108.5	V305 I320 P372	V289-V305 HydrophobicContact CG1-CG2 4.28Å; V289-I320 HydrophobicContact CG1-CD1 3.15Å; V289-P372 HydrophobicContact CG1-CG 4.28Å
290	V	89.8	Confident	91.4	Very high	28 Å²	28	31.5 Å²	31.5	17%	0.17	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	161.7	-177.6	-71.2	0	0	0	0	109.3	P288 W302 D303 I370	P288-V290 HydrophobicContact CG-CG1 4.22Å; P288-V290 PolarHBondContact O-N 3.32Å; V290-W302 HydrophobicContact CB-CB 4.32Å; V290-W302 HydrophobicContact CB-CE3 4.12Å; V290-W302 HydrophobicContact CG2-CB 4.25Å; V290-W302 HydrophobicContact CG2-CD2 3.79Å; V290-W302 HydrophobicContact CG2-CE3 3.32Å; V290-W302 HydrophobicContact CG2-CG 4.21Å; V290-W302 HydrophobicContact CG2-CZ3 3.88Å; V290-D303 WeakPolarHBondContact CA-O 3.27Å; V290-D303 WeakPolarHBondContact CB-O 3.36Å; V290-I370 WeakPolarHBondContact O-CD1 3.35Å
291	R	92.6	Very high	91.6	Very high	10 Å²	10	34.1 Å²	34.1	4%	0.038	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	157	171.5	69.2	179.8	-173.8	171.5	6.4	112.1	D303 V305 P306 E309 I320 K321 I370 E454	R291-D303 HydrophobicContact CG-CB 4.25Å; R291-D303 PolarHBondContact N-O 2.91Å; R291-D303 PolarHBondContact O-N 2.97Å; R291-V305 HydrophobicContact CB-CG2 4.42Å; R291-P306 VanDerWaalsContact CZ-CD 3.42Å; R291-P306 VanDerWaalsContact CZ-CG 3.49Å; R291-E309 IonicContact NH1-OE1 3.66Å; R291-E309 PolarHBondContact NH1-OE1 3.16Å; R291-I320 HydrophobicContact CB-CG2 4.33Å; R291-K321 WeakPolarHBondContact CD-O 3.35Å; R291-I370 HydrophobicContact CB-CD1 4.26Å; R291-E454 IonicContact CZ-OE1 3.24Å; R291-E454 IonicContact NH1-OE1 2.91Å; R291-E454 IonicContact NH2-OE1 3.89Å; R291-E454 PolarHBondContact NH2-OE1 2.99Å; R291-E454 IonicContact NH2-OE2 2.95Å; R291-E454 PolarHBondContact NH2-OE2 3.04Å; R291-E454 VanDerWaalsContact NH2-OE2 3.17Å
292	G	95.1	Very high	91.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	132	178.7	0	0	0	0	0	111.9	S322 P323 T324	G292-S322 PolarHBondContact N-OG 3.13Å; G292-P323 WeakPolarHBondContact O-CB 3.45Å; G292-P323 WeakPolarHBondContact O-CD 3.3Å; G292-T324 WeakPolarHBondContact CA-O 3.41Å; G292-T324 PolarHBondContact O-N 2.86Å; G292-T324 VanDerWaalsContact O-N 3.09Å; G292-T324 PolarHBondContact O-OG1 3.31Å
293	G	95.4	Very high	91.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	-170.9	170.3	0	0	0	0	0	111.3	F300 K301 T324	G293-F300 WeakPolarHBondContact O-CD2 3.37Å; G293-K301 CarbonylContact C-O 3.54Å; G293-K301 PolarHBondContact N-O 3.36Å; G293-K301 PolarHBondContact O-N 3.32Å; G293-T324 WeakPolarHBondContact CA-OG1 3.01Å; G293-T324 PolarHBondContact N-OG1 2.77Å; G293-T324 VanDerWaalsContact N-OG1 3.14Å; G293-T324 PolarHBondContact O-OG1 3.13Å
294	F	95.1	Very high	91.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	161.2	172.6	70.5	-76.5	0	0	0	110.5	L298 H299 K301 T324 L355 F359 F444 Y447 Y452 M455	F294-L298 HydrophobicContact CD2-CD2 4.16Å; F294-L298 HydrophobicContact CE2-CD2 4.27Å; F294-H299 CarbonylContact C-O 3.56Å; F294-H299 WeakPolarHBondContact CA-O 3.5Å; F294-H299 WeakPolarHBondContact CB-O 3.32Å; F294-K301 WeakPolarHBondContact O-CE 3.24Å; F294-T324 HydrophobicContact CD1-CG2 3.74Å; F294-L355 HydrophobicContact CB-CD1 3.97Å; F294-L355 HydrophobicContact CB-CD2 3.82Å; F294-L355 HydrophobicContact CG-CD1 4.46Å; F294-L355 HydrophobicContact CG-CD2 4.48Å; F294-F359 HydrophobicContact CD1-CE1 4.01Å; F294-F359 HydrophobicContact CD1-CZ 4.01Å; F294-F359 HydrophobicContact CD2-CZ 4.28Å; F294-F359 AromaticContact CE1-CE1 3.7Å; F294-F359 HydrophobicContact CE1-CE1 3.7Å; F294-F359 AromaticContact CE1-CZ 3.74Å; F294-F359 HydrophobicContact CE1-CZ 3.74Å; F294-F359 HydrophobicContact CE2-CZ 4.08Å; F294-F359 HydrophobicContact CG-CZ 4.29Å; F294-F359 HydrophobicContact CZ-CE1 4.19Å; F294-F359 AromaticContact CZ-CZ 3.83Å; F294-F359 HydrophobicContact CZ-CZ 3.83Å; F294-F444 AromaticContact CZ-CZ 3.82Å; F294-F444 HydrophobicContact CZ-CZ 3.82Å; F294-Y447 HydrophobicContact CE1-CE1 4.11Å; F294-Y452 HydrophobicContact CD1-CD1 4.07Å; F294-Y452 AromaticContact CD1-CE1 3.77Å; F294-Y452 HydrophobicContact CD1-CE1 3.77Å; F294-Y452 AromaticContact CE1-CD1 3.63Å; F294-Y452 HydrophobicContact CE1-CD1 3.63Å; F294-Y452 AromaticContact CE1-CE1 3.74Å; F294-Y452 HydrophobicContact CE1-CE1 3.74Å; F294-M455 HydrophobicContact CD2-CE 4.16Å; F294-M455 HydrophobicContact CE2-CE 3.83Å; F294-M455 HydrophobicContact CZ-CE 4.17Å; F294-M455 HydrophobicContact CZ-CG 4.4Å; F294-M455 VanDerWaalsContact O-CE 3.31Å; F294-M455 WeakPolarHBondContact O-CE 3.39Å; F294-M455 VanDerWaalsContact O-SD 3.4Å
295	N	91.9	Very high	91.2	Very high	66 Å²	66	44.1 Å²	44.1	35%	0.353	24%	0.236	S	C	.	.			trans	-102.7	167.4	170.2	67	27.1	0	0	0	111.1	G297 L298 H299	N295-G297 PolarHBondContact O-N 3.27Å; N295-G297 WeakPolarHBondContact OD1-CA 3.37Å; N295-G297 PolarHBondContact OD1-N 3.42Å; N295-L298 WeakPolarHBondContact O-CA 3.21Å; N295-L298 PolarHBondContact O-N 3.45Å; N295-L298 PolarHBondContact OD1-N 2.99Å; N295-H299 PolarHBondContact N-O 2.81Å; N295-H299 PolarHBondContact OD1-N 3.47Å; N295-H299 VanDerWaalsContact OD1-N 3.1Å
296	W	91.5	Very high	90.8	Very high	39 Å²	39	42.8 Å²	42.8	15%	0.148	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.7	-179.8	-72.8	113.6	0	0	0	114.1	L298 Y410 Q413 Y414 L417 F444 L448 M455	W296-L298 PolarHBondContact O-N 2.88Å; W296-Y410 AromaticContact CH2-CD1 3.92Å; W296-Y410 HydrophobicContact CH2-CD1 3.92Å; W296-Y410 HydrophobicContact CH2-CG 4.48Å; W296-Q413 HydrophobicContact CD2-CB 3.78Å; W296-Q413 HydrophobicContact CD2-CG 4.39Å; W296-Q413 HydrophobicContact CE3-CB 3.48Å; W296-Q413 VanDerWaalsContact CE3-CB 3.48Å; W296-Q413 HydrophobicContact CE3-CG 4.2Å; W296-Q413 HydrophobicContact CG-CB 4.32Å; W296-Q413 HydrophobicContact CH2-CB 4.46Å; W296-Q413 HydrophobicContact CH2-CG 4.33Å; W296-Q413 HydrophobicContact CZ3-CB 3.86Å; W296-Q413 HydrophobicContact CZ3-CG 4.17Å; W296-Y414 WeakPolarHBondContact O-CA 3.23Å; W296-Y414 WeakPolarHBondContact O-CD2 3.47Å; W296-L417 HydrophobicContact CB-CD1 3.65Å; W296-F444 HydrophobicContact CH2-CE1 4.32Å; W296-F444 HydrophobicContact CZ3-CE1 4.33Å; W296-L448 HydrophobicContact CH2-CD1 4.11Å; W296-M455 HydrophobicContact CD2-CE 3.73Å; W296-M455 HydrophobicContact CE3-CE 4.43Å; W296-M455 HydrophobicContact CG-CE 3.74Å; W296-M455 HydrophobicContact CZ2-CE 4.29Å; W296-M455 HydrophobicContact CZ2-CG 4.24Å
297	G	91.6	Very high	90.1	Very high	15 Å²	15	46.6 Å²	46.6	16%	0.155	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	5.3	167.1	0	0	0	0	0	113.9	N295 H299	N295-G297 PolarHBondContact O-N 3.27Å; N295-G297 WeakPolarHBondContact OD1-CA 3.37Å; N295-G297 PolarHBondContact OD1-N 3.42Å; G297-H299 PolarHBondContact O-CD2 3.27Å; G297-H299 PolarHBondContact O-N 3.44Å
298	L	94.4	Very high	89.4	Confident	1 Å²	1	51 Å²	51	1%	0.005	27%	0.271	C	S	.	.	S	Bend	trans	59.8	32.3	-177.6	-55.3	173.9	0	0	0	113.2	F294 N295 W296 L355 M395 L402 A403 L407 Y414	F294-L298 HydrophobicContact CD2-CD2 4.16Å; F294-L298 HydrophobicContact CE2-CD2 4.27Å; N295-L298 WeakPolarHBondContact O-CA 3.21Å; N295-L298 PolarHBondContact O-N 3.45Å; N295-L298 PolarHBondContact OD1-N 2.99Å; W296-L298 PolarHBondContact O-N 2.88Å; L298-L355 HydrophobicContact CB-CD1 4.19Å; L298-L355 WeakPolarHBondContact O-CD1 3.09Å; L298-M395 WeakPolarHBondContact O-CE 3.34Å; L298-L402 HydrophobicContact CD1-CD2 3.58Å; L298-L402 HydrophobicContact CD2-CD2 3.89Å; L298-L402 HydrophobicContact CG-CD2 4.25Å; L298-A403 HydrophobicContact CD1-CB 4.19Å; L298-L407 HydrophobicContact CD1-CD1 4.14Å; L298-L407 HydrophobicContact CD2-CD1 3.9Å; L298-Y414 HydrophobicContact CB-CD2 4.47Å; L298-Y414 HydrophobicContact CB-CE2 4.27Å; L298-Y414 HydrophobicContact CD1-CD1 3.82Å; L298-Y414 HydrophobicContact CD1-CD2 3.68Å; L298-Y414 HydrophobicContact CD1-CE1 3.91Å; L298-Y414 HydrophobicContact CD1-CE2 3.76Å; L298-Y414 HydrophobicContact CD1-CG 3.69Å; L298-Y414 HydrophobicContact CG-CD2 3.73Å; L298-Y414 HydrophobicContact CG-CE2 3.96Å; L298-Y414 HydrophobicContact CG-CG 4.12Å
299	H	92.6	Very high	88.9	Confident	101 Å²	101	49.1 Å²	49.1	47%	0.468	26%	0.255	S	S	.	.			trans	-96.9	134.7	168.6	-59.1	-68.8	0	0	0	110.3	F294 N295 G297	F294-H299 CarbonylContact C-O 3.56Å; F294-H299 WeakPolarHBondContact CA-O 3.5Å; F294-H299 WeakPolarHBondContact CB-O 3.32Å; N295-H299 PolarHBondContact N-O 2.81Å; N295-H299 PolarHBondContact OD1-N 3.47Å; N295-H299 VanDerWaalsContact OD1-N 3.1Å; G297-H299 PolarHBondContact O-CD2 3.27Å; G297-H299 PolarHBondContact O-N 3.44Å
300	F	94.9	Very high	88.3	Confident	53 Å²	53	49.7 Å²	49.7	23%	0.232	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	143.1	170.5	176.6	-94.6	0	0	0	111	G293 W302 M325 A326	G293-F300 WeakPolarHBondContact O-CD2 3.37Å; F300-W302 AromaticContact CE1-CD2 3.71Å; F300-W302 HydrophobicContact CE1-CD2 3.71Å; F300-W302 AromaticContact CE1-CE2 3.48Å; F300-W302 VanDerWaalsContact CE1-CE2 3.48Å; F300-W302 HydrophobicContact CE1-CE3 4.17Å; F300-W302 HydrophobicContact CE1-CG 4.14Å; F300-W302 HydrophobicContact CE1-CH2 4.27Å; F300-W302 AromaticContact CE1-CZ2 3.79Å; F300-W302 HydrophobicContact CE1-CZ2 3.79Å; F300-W302 HydrophobicContact CE1-CZ3 4.44Å; F300-W302 AromaticContact CE1-NE1 3.74Å; F300-W302 AromaticContact CZ-CD2 3.75Å; F300-W302 HydrophobicContact CZ-CD2 3.75Å; F300-W302 AromaticContact CZ-CE2 3.82Å; F300-W302 AromaticContact CZ-CE3 3.71Å; F300-W302 HydrophobicContact CZ-CE3 3.71Å; F300-W302 HydrophobicContact CZ-CG 4.49Å; F300-W302 AromaticContact CZ-CH2 3.87Å; F300-W302 HydrophobicContact CZ-CH2 3.87Å; F300-W302 AromaticContact CZ-CZ2 3.88Å; F300-W302 HydrophobicContact CZ-CZ2 3.88Å; F300-W302 AromaticContact CZ-CZ3 3.78Å; F300-W302 HydrophobicContact CZ-CZ3 3.78Å; F300-M325 WeakPolarHBondContact CD2-O 3.21Å; F300-M325 WeakPolarHBondContact CE2-O 3.05Å; F300-A326 HydrophobicContact CE1-CB 4.05Å; F300-A326 HydrophobicContact CE2-CB 4.33Å; F300-A326 HydrophobicContact CZ-CB 3.85Å
301	K	92.2	Very high	87.1	Confident	68 Å²	68	51.6 Å²	51.6	30%	0.296	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	159	170.5	58.9	166.9	177.2	136.6	0	110.2	G293 F294 D303 Y452	G293-K301 CarbonylContact C-O 3.54Å; G293-K301 PolarHBondContact N-O 3.36Å; G293-K301 PolarHBondContact O-N 3.32Å; F294-K301 WeakPolarHBondContact O-CE 3.24Å; K301-D303 WeakPolarHBondContact CD-OD1 3.31Å; K301-D303 VanDerWaalsContact CE-OD1 3.3Å; K301-D303 WeakPolarHBondContact CE-OD1 3.49Å; K301-D303 IonicContact NZ-OD1 3.42Å; K301-D303 PolarHBondContact NZ-OD1 3.32Å; K301-D303 IonicContact NZ-OD2 3.72Å; K301-D303 PolarHBondContact NZ-OD2 2.8Å; K301-Y452 WeakPolarHBondContact CE-OH 3.23Å; K301-Y452 PolarHBondContact NZ-OH 3.45Å; K301-Y452 VanDerWaalsContact NZ-OH 3.13Å
302	W	90.9	Very high	86.2	Confident	111 Å²	111	53.5 Å²	53.5	42%	0.42	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.9	168.7	-63.2	110	0	0	0	109.7	I274 V290 F300 A326	I274-W302 HydrophobicContact CD1-CH2 4.15Å; I274-W302 HydrophobicContact CD1-CZ2 4.37Å; V290-W302 HydrophobicContact CB-CB 4.32Å; V290-W302 HydrophobicContact CB-CE3 4.12Å; V290-W302 HydrophobicContact CG2-CB 4.25Å; V290-W302 HydrophobicContact CG2-CD2 3.79Å; V290-W302 HydrophobicContact CG2-CE3 3.32Å; V290-W302 HydrophobicContact CG2-CG 4.21Å; V290-W302 HydrophobicContact CG2-CZ3 3.88Å; F300-W302 AromaticContact CE1-CD2 3.71Å; F300-W302 HydrophobicContact CE1-CD2 3.71Å; F300-W302 AromaticContact CE1-CE2 3.48Å; F300-W302 VanDerWaalsContact CE1-CE2 3.48Å; F300-W302 HydrophobicContact CE1-CE3 4.17Å; F300-W302 HydrophobicContact CE1-CG 4.14Å; F300-W302 HydrophobicContact CE1-CH2 4.27Å; F300-W302 AromaticContact CE1-CZ2 3.79Å; F300-W302 HydrophobicContact CE1-CZ2 3.79Å; F300-W302 HydrophobicContact CE1-CZ3 4.44Å; F300-W302 AromaticContact CE1-NE1 3.74Å; F300-W302 AromaticContact CZ-CD2 3.75Å; F300-W302 HydrophobicContact CZ-CD2 3.75Å; F300-W302 AromaticContact CZ-CE2 3.82Å; F300-W302 AromaticContact CZ-CE3 3.71Å; F300-W302 HydrophobicContact CZ-CE3 3.71Å; F300-W302 HydrophobicContact CZ-CG 4.49Å; F300-W302 AromaticContact CZ-CH2 3.87Å; F300-W302 HydrophobicContact CZ-CH2 3.87Å; F300-W302 AromaticContact CZ-CZ2 3.88Å; F300-W302 HydrophobicContact CZ-CZ2 3.88Å; F300-W302 AromaticContact CZ-CZ3 3.78Å; F300-W302 HydrophobicContact CZ-CZ3 3.78Å; W302-A326 HydrophobicContact CH2-CB 3.89Å; W302-A326 HydrophobicContact CZ2-CB 3.92Å
303	D	89.8	Confident	84.9	Confident	29 Å²	29	59.2 Å²	59.2	16%	0.155	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	153.8	172.8	-78.7	-8.7	0	0	0	110.7	V290 R291 K301 Y452	V290-D303 WeakPolarHBondContact CA-O 3.27Å; V290-D303 WeakPolarHBondContact CB-O 3.36Å; R291-D303 HydrophobicContact CG-CB 4.25Å; R291-D303 PolarHBondContact N-O 2.91Å; R291-D303 PolarHBondContact O-N 2.97Å; K301-D303 WeakPolarHBondContact CD-OD1 3.31Å; K301-D303 VanDerWaalsContact CE-OD1 3.3Å; K301-D303 WeakPolarHBondContact CE-OD1 3.49Å; K301-D303 IonicContact NZ-OD1 3.42Å; K301-D303 PolarHBondContact NZ-OD1 3.32Å; K301-D303 IonicContact NZ-OD2 3.72Å; K301-D303 PolarHBondContact NZ-OD2 2.8Å; D303-Y452 WeakPolarHBondContact OD2-CE2 3.49Å; D303-Y452 VanDerWaalsContact OD2-CZ 3.28Å; D303-Y452 PolarHBondContact OD2-OH 2.97Å
304	L	86.9	Confident	83.9	Confident	118 Å²	118	64.1 Å²	64.1	62%	0.618	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	148.8	170.9	-61.4	177.4	0	0	0	110.3
305	V	86.6	Confident	83.3	Confident	17 Å²	17	65 Å²	65	10%	0.103	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-78.2	127.4	174.4	-175.9	0	0	0	0	108.7	V289 R291 E309 L310 I320	V289-V305 HydrophobicContact CG1-CG2 4.28Å; R291-V305 HydrophobicContact CB-CG2 4.42Å; V305-E309 HydrophobicContact CG1-CB 3.97Å; V305-L310 HydrophobicContact CB-CD1 4.27Å; V305-L310 HydrophobicContact CB-CG 4.41Å; V305-L310 HydrophobicContact CG1-CD1 4.27Å; V305-L310 HydrophobicContact CG1-CD2 3.97Å; V305-L310 HydrophobicContact CG1-CG 3.88Å; V305-I320 HydrophobicContact CB-CG2 4.45Å; V305-I320 HydrophobicContact CG1-CD1 4.22Å; V305-I320 HydrophobicContact CG1-CG1 4.5Å; V305-I320 HydrophobicContact CG1-CG2 3.66Å; V305-I320 HydrophobicContact CG2-CD1 4.06Å; V305-I320 HydrophobicContact CG2-CG2 3.93Å
306	P	82.7	Confident	82.8	Confident	27 Å²	27	64 Å²	64	18%	0.175	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-57.6	139.1	175.8	-24.9	34.6	0	0	0	111.5	R291 S308 E309	R291-P306 VanDerWaalsContact CZ-CD 3.42Å; R291-P306 VanDerWaalsContact CZ-CG 3.49Å; P306-S308 PolarHBondContact O-N 3.48Å; P306-S308 VanDerWaalsContact O-N 3.13Å; P306-E309 PolarHBondContact O-N 2.74Å
307	L	77.1	Confident	82.7	Confident	144 Å²	144	62.7 Å²	62.7	75%	0.754	38%	0.381	S	S	*	.	H	α-helix	trans	-58.7	-28.4	179.1	-69.2	174.6	0	0	0	112.7	E309 L310 G311	L307-E309 PolarHBondContact O-N 3.28Å; L307-L310 PolarHBondContact O-N 2.92Å; L307-G311 PolarHBondContact O-N 2.91Å; L307-G311 VanDerWaalsContact O-N 3.16Å
308	S	75.5	Confident	82.7	Confident	105 Å²	105	62.9 Å²	62.9	73%	0.734	38%	0.381	S	S	*	.	H	α-helix	trans	-61	-31	174.3	49.8	0	0	0	0	113.2	P306 L310	P306-S308 PolarHBondContact O-N 3.48Å; P306-S308 VanDerWaalsContact O-N 3.13Å; S308-L310 VanDerWaalsContact C-N 3.34Å
309	E	74.8	Confident	82.6	Confident	55 Å²	55	65.9 Å²	65.9	26%	0.257	40%	0.401	S	S	.	.	H	α-helix	trans	-81.1	-16.2	175.6	-66.5	-167.1	-140	0	0	112.5	R291 V305 P306 L307 K321	R291-E309 IonicContact NH1-OE1 3.66Å; R291-E309 PolarHBondContact NH1-OE1 3.16Å; V305-E309 HydrophobicContact CG1-CB 3.97Å; P306-E309 PolarHBondContact O-N 2.74Å; L307-E309 PolarHBondContact O-N 3.28Å; E309-K321 PolarHBondContact OE2-N 2.69Å
310	L	73.8	Confident	82.7	Confident	56 Å²	56	61.2 Å²	61.2	29%	0.293	38%	0.379	S	S	.	.	H	α-helix	trans	-99.8	-7.2	-178.5	-63	174.1	0	0	0	113.8	V305 L307 S308 G315 I320	V305-L310 HydrophobicContact CB-CD1 4.27Å; V305-L310 HydrophobicContact CB-CG 4.41Å; V305-L310 HydrophobicContact CG1-CD1 4.27Å; V305-L310 HydrophobicContact CG1-CD2 3.97Å; V305-L310 HydrophobicContact CG1-CG 3.88Å; L307-L310 PolarHBondContact O-N 2.92Å; S308-L310 VanDerWaalsContact C-N 3.34Å; L310-G315 WeakPolarHBondContact O-CA 3.45Å; L310-I320 HydrophobicContact CD2-CD1 4.5Å
311	G	64.8	Low	82.7	Confident	69 Å²	69	64.3 Å²	64.3	71%	0.711	39%	0.392	S	S	*	.	S	Bend	trans	-88.9	0	-172.9	0	0	0	0	0	116.2	L307	L307-G311 PolarHBondContact O-N 2.91Å; L307-G311 VanDerWaalsContact O-N 3.16Å
312	G	71.9	Confident	82.9	Confident	50 Å²	50	61.1 Å²	61.1	52%	0.515	38%	0.379	S	S	.	.	S	Bend	trans	-77.2	175.6	-179.3	0	0	0	0	0	114.1	E314 G315	G312-E314 VanDerWaalsContact C-N 3.25Å; G312-E314 PolarHBondContact O-N 3.29Å; G312-G315 WeakPolarHBondContact O-CA 3.33Å; G312-G315 PolarHBondContact O-N 2.93Å
313	A	69.4	Low	83.3	Confident	120 Å²	120	55.9 Å²	55.9	99%	0.992	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.5	-180	0	0	0	0	0	113.6	G315	A313-G315 VanDerWaalsContact C-N 3.33Å
314	E	74.1	Confident	83.7	Confident	102 Å²	102	54.5 Å²	54.5	48%	0.477	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-8.6	175.1	-69.6	-166.3	-160.7	0	0	114	K144 G312 A316 T317 A318	K144-E314 IonicContact NZ-OE2 3.82Å; K144-E314 PolarHBondContact NZ-OE2 3.07Å; G312-E314 VanDerWaalsContact C-N 3.25Å; G312-E314 PolarHBondContact O-N 3.29Å; E314-A316 PolarHBondContact O-N 3.46Å; E314-T317 PolarHBondContact O-N 2.99Å; E314-T317 PolarHBondContact O-OG1 2.69Å; E314-A318 HydrophobicContact CB-CB 3.77Å
315	G	82.4	Confident	84.2	Confident	19 Å²	19	49 Å²	49	20%	0.196	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	46.3	-127.2	177.3	0	0	0	0	0	113.9	L310 G312 A313 T317 A318	L310-G315 WeakPolarHBondContact O-CA 3.45Å; G312-G315 WeakPolarHBondContact O-CA 3.33Å; G312-G315 PolarHBondContact O-N 2.93Å; A313-G315 VanDerWaalsContact C-N 3.33Å; G315-T317 PolarHBondContact O-N 2.95Å; G315-T317 VanDerWaalsContact O-N 3.1Å; G315-A318 PolarHBondContact O-N 3.16Å
316	A	81.5	Confident	84.5	Confident	46 Å²	46	49.7 Å²	49.7	38%	0.38	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-71.2	1.2	-178.8	0	0	0	0	0	115.2	E314 P372	E314-A316 PolarHBondContact O-N 3.46Å; A316-P372 WeakPolarHBondContact O-CB 3.48Å
317	T	89.2	Confident	84.9	Confident	11 Å²	11	48.5 Å²	48.5	7%	0.067	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-108.2	-2.8	178.6	69.9	0	0	0	0	113.7	N138 A140 K144 E314 G315	N138-T317 HydrophobicContact CB-CG2 4.11Å; A140-T317 HydrophobicContact CB-CG2 3.82Å; K144-T317 VanDerWaalsContact CE-OG1 3.24Å; K144-T317 WeakPolarHBondContact CE-OG1 3.12Å; K144-T317 PolarHBondContact NZ-O 3.33Å; K144-T317 PolarHBondContact NZ-OG1 3.19Å; E314-T317 PolarHBondContact O-N 2.99Å; E314-T317 PolarHBondContact O-OG1 2.69Å; G315-T317 PolarHBondContact O-N 2.95Å; G315-T317 VanDerWaalsContact O-N 3.1Å
318	A	90.3	Very high	85.5	Confident	19 Å²	19	42.2 Å²	42.2	16%	0.157	29%	0.293	C	S	.	.	S	Bend	trans	-69	150.2	176.3	0	0	0	0	0	111.1	E314 G315 I320 P372	E314-A318 HydrophobicContact CB-CB 3.77Å; G315-A318 PolarHBondContact O-N 3.16Å; A318-I320 WeakPolarHBondContact O-CG1 3.04Å; A318-I320 PolarHBondContact O-N 3.42Å; A318-P372 WeakPolarHBondContact O-CD 3.47Å; A318-P372 VanDerWaalsContact O-CG 3.3Å; A318-P372 WeakPolarHBondContact O-CG 3.2Å
319	P	93.9	Very high	86.6	Confident	64 Å²	64	37.4 Å²	37.4	42%	0.416	26%	0.259	S	S	.	.			trans	-55.7	132.4	165	-25.4	35.9	0	0	0	111.8	F369 I371	P319-F369 HydrophobicContact CB-CB 4.27Å; P319-F369 HydrophobicContact CB-CD1 3.98Å; P319-F369 HydrophobicContact CB-CG 4.19Å; P319-I371 HydrophobicContact CB-CD1 3.68Å; P319-I371 HydrophobicContact CG-CD1 3.91Å
320	I	94.4	Very high	87.7	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.2	-174	-61.1	173.8	0	0	0	109.5	V289 R291 V305 L310 A318 S322 F369 I370 P372	V289-I320 HydrophobicContact CG1-CD1 3.15Å; R291-I320 HydrophobicContact CB-CG2 4.33Å; V305-I320 HydrophobicContact CB-CG2 4.45Å; V305-I320 HydrophobicContact CG1-CD1 4.22Å; V305-I320 HydrophobicContact CG1-CG1 4.5Å; V305-I320 HydrophobicContact CG1-CG2 3.66Å; V305-I320 HydrophobicContact CG2-CD1 4.06Å; V305-I320 HydrophobicContact CG2-CG2 3.93Å; L310-I320 HydrophobicContact CD2-CD1 4.5Å; A318-I320 WeakPolarHBondContact O-CG1 3.04Å; A318-I320 PolarHBondContact O-N 3.42Å; I320-S322 PolarHBondContact O-N 3.14Å; I320-F369 CarbonylContact O-C 3.56Å; I320-F369 WeakPolarHBondContact O-CA 3.37Å; I320-I370 PolarHBondContact N-O 2.97Å; I320-I370 PolarHBondContact O-N 3.04Å; I320-P372 HydrophobicContact CD1-CG 3.69Å; I320-P372 HydrophobicContact CG1-CG 4.1Å
321	K	95	Very high	88.9	Confident	118 Å²	118	32.2 Å²	32.2	51%	0.513	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	127.9	178.8	-71.8	-179.3	-177.5	176.6	0	109.1	R291 E309 W362 F369	R291-K321 WeakPolarHBondContact CD-O 3.35Å; E309-K321 PolarHBondContact OE2-N 2.69Å; K321-W362 HydrophobicContact CD-CH2 4.47Å; K321-W362 HydrophobicContact CG-CH2 4.36Å; K321-F369 HydrophobicContact CB-CE1 4.46Å; K321-F369 HydrophobicContact CD-CE1 4.46Å; K321-F369 HydrophobicContact CG-CD1 3.94Å; K321-F369 HydrophobicContact CG-CE1 3.42Å; K321-F369 VanDerWaalsContact CG-CE1 3.42Å; K321-F369 HydrophobicContact CG-CZ 4.32Å
322	S	96.9	Very high	90.5	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	20%	0.199	C	C	.	.			trans	-117.8	116.9	-178.8	-160.8	0	0	0	0	110	G292 I320 T324 W362 L368	G292-S322 PolarHBondContact N-OG 3.13Å; I320-S322 PolarHBondContact O-N 3.14Å; S322-T324 VanDerWaalsContact C-N 3.25Å; S322-T324 WeakPolarHBondContact CB-O 3.23Å; S322-T324 PolarHBondContact O-N 3.46Å; S322-T324 PolarHBondContact OG-O 3.32Å; S322-W362 PolarHBondContact O-NE1 3.07Å; S322-L368 PolarHBondContact N-O 3.46Å
323	P	97.6	Very high	91.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	18%	0.18	C	C	.	.	S	Bend	trans	-52.3	-46	173.7	-28.9	33.2	0	0	0	112.5	G292 W362 Y447 I451 Y452	G292-P323 WeakPolarHBondContact O-CB 3.45Å; G292-P323 WeakPolarHBondContact O-CD 3.3Å; P323-W362 PolarHBondContact O-NE1 3.48Å; P323-Y447 VanDerWaalsContact C-OH 3.32Å; P323-Y447 WeakPolarHBondContact CB-OH 3.5Å; P323-Y447 PolarHBondContact O-OH 2.84Å; P323-I451 HydrophobicContact CB-CG2 4.4Å; P323-Y452 HydrophobicContact CB-CD1 3.97Å; P323-Y452 HydrophobicContact CB-CD2 4.09Å; P323-Y452 HydrophobicContact CB-CG 3.74Å; P323-Y452 HydrophobicContact CG-CD1 4.38Å; P323-Y452 HydrophobicContact CG-CD2 3.58Å; P323-Y452 HydrophobicContact CG-CE2 4.1Å; P323-Y452 HydrophobicContact CG-CG 3.74Å
324	T	98.2	Very high	93.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-131.1	171.9	178.4	70.3	0	0	0	0	111.4	G292 G293 F294 S322 L355 S358 F359	G292-T324 WeakPolarHBondContact CA-O 3.41Å; G292-T324 PolarHBondContact O-N 2.86Å; G292-T324 VanDerWaalsContact O-N 3.09Å; G292-T324 PolarHBondContact O-OG1 3.31Å; G293-T324 WeakPolarHBondContact CA-OG1 3.01Å; G293-T324 PolarHBondContact N-OG1 2.77Å; G293-T324 VanDerWaalsContact N-OG1 3.14Å; G293-T324 PolarHBondContact O-OG1 3.13Å; F294-T324 HydrophobicContact CD1-CG2 3.74Å; S322-T324 VanDerWaalsContact C-N 3.25Å; S322-T324 WeakPolarHBondContact CB-O 3.23Å; S322-T324 PolarHBondContact O-N 3.46Å; S322-T324 PolarHBondContact OG-O 3.32Å; T324-L355 HydrophobicContact CG2-CD2 3.71Å; T324-S358 VanDerWaalsContact CA-OG 3.31Å; T324-S358 WeakPolarHBondContact CA-OG 3.34Å; T324-F359 HydrophobicContact CG2-CE1 4.04Å
325	M	97.4	Very high	94.4	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.015	14%	0.143	C	C	.	.			trans	-120.2	157.3	168.1	59	-178.8	154.1	0	0	111.6	V269 C271 F300 G327 F330 N354 I357 S358 I361 L368	V269-M325 HydrophobicContact CG1-CE 4.42Å; C271-M325 VanDerWaalsContact SG-CB 3.57Å; F300-M325 WeakPolarHBondContact CD2-O 3.21Å; F300-M325 WeakPolarHBondContact CE2-O 3.05Å; M325-G327 PolarHBondContact O-N 2.61Å; M325-F330 HydrophobicContact CE-CD1 4.48Å; M325-F330 HydrophobicContact CE-CD2 4.32Å; M325-F330 HydrophobicContact CE-CE2 4.45Å; M325-F330 HydrophobicContact CE-CG 4.33Å; M325-F330 HydrophobicContact SD-CB 3.88Å; M325-F330 HydrophobicContact SD-CD1 4.02Å; M325-F330 HydrophobicContact SD-CD2 4.31Å; M325-F330 HydrophobicContact SD-CG 3.82Å; M325-N354 PolarHBondContact O-ND2 3.45Å; M325-I357 HydrophobicContact CE-CB 4.34Å; M325-I357 HydrophobicContact CE-CD1 4.47Å; M325-I357 HydrophobicContact CE-CG1 4.18Å; M325-I357 HydrophobicContact CE-CG2 3.27Å; M325-S358 PolarHBondContact N-OG 2.89Å; M325-I361 HydrophobicContact CE-CD1 3.87Å; M325-L368 HydrophobicContact CB-CD1 4.45Å; M325-L368 HydrophobicContact CB-CD2 4.14Å; M325-L368 HydrophobicContact CG-CD2 4.3Å; M325-L368 HydrophobicContact SD-CD1 4.11Å
326	A	94.8	Very high	95.2	Very high	32 Å²	32	24.1 Å²	24.1	26%	0.264	14%	0.135	S	C	.	.			trans	-62	-28	172.6	0	0	0	0	0	111.5	I274 F300 W302 G328	I274-A326 HydrophobicContact CD1-CB 3.95Å; F300-A326 HydrophobicContact CE1-CB 4.05Å; F300-A326 HydrophobicContact CE2-CB 4.33Å; F300-A326 HydrophobicContact CZ-CB 3.85Å; W302-A326 HydrophobicContact CH2-CB 3.89Å; W302-A326 HydrophobicContact CZ2-CB 3.92Å; A326-G328 VanDerWaalsContact C-N 3.34Å; A326-G328 PolarHBondContact O-N 3.49Å
327	G	89.9	Confident	96	Very high	1 Å²	1	22 Å²	22	1%	0.01	12%	0.117	C	C	.	.	S	Bend	trans	94.7	-31.8	175.6	0	0	0	0	0	113.5	R229 M325 L329	R229-G327 PolarHBondContact NH1-O 3.21Å; R229-G327 PolarHBondContact NH2-O 3.12Å; M325-G327 PolarHBondContact O-N 2.61Å; G327-L329 PolarHBondContact O-N 3.19Å
328	G	90.4	Very high	96.4	Very high	12 Å²	12	24 Å²	24	12%	0.124	13%	0.126	C	C	.	.	S	Bend	trans	-55.8	-51.8	-179.2	0	0	0	0	0	113.7	R229 D245 A326	R229-G328 VanDerWaalsContact NH2-CA 3.34Å; R229-G328 PolarHBondContact NH2-O 3.16Å; D245-G328 WeakPolarHBondContact OD2-CA 3.49Å; A326-G328 VanDerWaalsContact C-N 3.34Å; A326-G328 PolarHBondContact O-N 3.49Å
329	L	97.9	Very high	96.8	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	14%	0.136	C	C	.	.	S	Bend	trans	-127.4	118.2	-170.3	-63.5	74.4	0	0	0	110.9	F243 L244 P272 I274 G327 V376	F243-L329 WeakPolarHBondContact O-CA 3.31Å; L244-L329 HydrophobicContact CD2-CB 4.26Å; L244-L329 HydrophobicContact CD2-CD2 3.75Å; L244-L329 HydrophobicContact CD2-CG 3.84Å; P272-L329 HydrophobicContact CG-CB 3.91Å; P272-L329 HydrophobicContact CG-CD2 4.26Å; I274-L329 HydrophobicContact CD1-CD1 4.24Å; G327-L329 PolarHBondContact O-N 3.19Å; L329-V376 HydrophobicContact CD2-CB 3.54Å; L329-V376 HydrophobicContact CD2-CG1 3.33Å; L329-V376 HydrophobicContact CD2-CG2 4.22Å
330	F	98.8	Very high	96.9	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.009	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	161.3	174.5	69.2	-79.1	0	0	0	111.7	F243 V269 V270 M325 M332 Y343	F243-F330 HydrophobicContact CB-CD1 4.16Å; F243-F330 HydrophobicContact CB-CE1 3.92Å; F243-F330 HydrophobicContact CB-CZ 4.46Å; F243-F330 HydrophobicContact CD2-CD1 4.16Å; F243-F330 HydrophobicContact CD2-CD2 4.14Å; F243-F330 AromaticContact CD2-CE1 3.52Å; F243-F330 HydrophobicContact CD2-CE1 3.52Å; F243-F330 AromaticContact CD2-CE2 3.51Å; F243-F330 HydrophobicContact CD2-CE2 3.51Å; F243-F330 HydrophobicContact CD2-CG 4.44Å; F243-F330 AromaticContact CD2-CZ 3.16Å; F243-F330 HydrophobicContact CD2-CZ 3.16Å; F243-F330 HydrophobicContact CE2-CE1 4.29Å; F243-F330 AromaticContact CE2-CE2 3.75Å; F243-F330 HydrophobicContact CE2-CE2 3.75Å; F243-F330 AromaticContact CE2-CZ 3.51Å; F243-F330 HydrophobicContact CE2-CZ 3.51Å; F243-F330 AromaticContact CG-CE1 3.92Å; F243-F330 HydrophobicContact CG-CE1 3.92Å; F243-F330 AromaticContact CG-CZ 3.98Å; F243-F330 HydrophobicContact CG-CZ 3.98Å; F243-F330 PolarHBondContact N-O 3.37Å; F243-F330 PolarHBondContact O-N 3.39Å; V269-F330 HydrophobicContact CG1-CD2 3.85Å; V270-F330 CarbonylContact O-C 3.11Å; V270-F330 VanDerWaalsContact O-CA 3.28Å; V270-F330 WeakPolarHBondContact O-CA 3.31Å; V270-F330 WeakPolarHBondContact O-CB 3.36Å; M325-F330 HydrophobicContact CE-CD1 4.48Å; M325-F330 HydrophobicContact CE-CD2 4.32Å; M325-F330 HydrophobicContact CE-CE2 4.45Å; M325-F330 HydrophobicContact CE-CG 4.33Å; M325-F330 HydrophobicContact SD-CB 3.88Å; M325-F330 HydrophobicContact SD-CD1 4.02Å; M325-F330 HydrophobicContact SD-CD2 4.31Å; M325-F330 HydrophobicContact SD-CG 3.82Å; F330-M332 HydrophobicContact CD2-CG 4.41Å; F330-M332 HydrophobicContact CD2-SD 4.4Å; F330-M332 HydrophobicContact CE2-CG 4.07Å; F330-M332 HydrophobicContact CE2-SD 3.7Å; F330-Y343 VanDerWaalsContact CE1-OH 3.23Å; F330-Y343 WeakPolarHBondContact CE1-OH 3.24Å; F330-Y343 VanDerWaalsContact CZ-OH 3.31Å; F330-Y343 WeakPolarHBondContact CZ-OH 3.44Å
331	A	98.8	Very high	97.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.2	174.2	0	0	0	0	0	111.1	V240 L241 V242 L258 I262 V270	V240-A331 HydrophobicContact CG1-CB 4.19Å; L241-A331 CarbonylContact O-C 3.58Å; L241-A331 WeakPolarHBondContact O-CA 3.49Å; V242-A331 HydrophobicContact CB-CB 4.45Å; V242-A331 HydrophobicContact CG1-CB 4.44Å; V242-A331 HydrophobicContact CG2-CB 3.85Å; L258-A331 HydrophobicContact CB-CB 4.38Å; L258-A331 HydrophobicContact CD1-CB 4.35Å; I262-A331 HydrophobicContact CD1-CB 3.77Å; V270-A331 HydrophobicContact CG2-CB 3.97Å; V270-A331 PolarHBondContact N-O 3.14Å; V270-A331 PolarHBondContact O-N 3.11Å
332	M	98.7	Very high	97.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	158	174.7	64.7	-178.5	-60.5	0	0	111.8	L241 V269 F330 R334 Y336 F337 L340	L241-M332 PolarHBondContact N-O 3.42Å; L241-M332 PolarHBondContact O-N 3.44Å; V269-M332 HydrophobicContact CB-CB 4.39Å; V269-M332 HydrophobicContact CG1-CB 4.2Å; V269-M332 HydrophobicContact CG2-CB 3.87Å; V269-M332 HydrophobicContact CG2-CE 4.03Å; V269-M332 HydrophobicContact CG2-SD 4.38Å; F330-M332 HydrophobicContact CD2-CG 4.41Å; F330-M332 HydrophobicContact CD2-SD 4.4Å; F330-M332 HydrophobicContact CE2-CG 4.07Å; F330-M332 HydrophobicContact CE2-SD 3.7Å; M332-R334 PolarHBondContact O-N 2.8Å; M332-Y336 HydrophobicContact CE-CD1 3.68Å; M332-Y336 HydrophobicContact CE-CE1 4.31Å; M332-Y336 HydrophobicContact CE-CG 4.34Å; M332-F337 HydrophobicContact CE-CB 3.61Å; M332-F337 HydrophobicContact CE-CD2 4.06Å; M332-F337 HydrophobicContact CE-CG 4.35Å; M332-F337 HydrophobicContact CG-CB 4.25Å; M332-F337 HydrophobicContact SD-CB 3.77Å; M332-F337 HydrophobicContact SD-CD2 3.47Å; M332-F337 WeakPolarHBondContact SD-CD2 3.45Å; M332-F337 HydrophobicContact SD-CE2 4.46Å; M332-F337 HydrophobicContact SD-CG 4.03Å; M332-L340 HydrophobicContact CE-CD1 4.18Å
333	N	98.8	Very high	97.3	Very high	22 Å²	22	22 Å²	22	12%	0.118	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	132.3	173.2	179.8	-92.2	0	0	0	111.4	E239 I262 R266 Q335 Y336 F337	E239-N333 PolarHBondContact O-ND2 3.5Å; I262-N333 HydrophobicContact CG2-CB 4.09Å; R266-N333 WeakPolarHBondContact CD-OD1 3.2Å; R266-N333 HydrophobicContact CG-CB 3.46Å; R266-N333 VanDerWaalsContact CG-CB 3.46Å; R266-N333 WeakPolarHBondContact CG-OD1 3.19Å; R266-N333 PolarHBondContact NH1-OD1 2.81Å; N333-Q335 PolarHBondContact O-N 3.07Å; N333-Q335 WeakPolarHBondContact OD1-CB 3.47Å; N333-Q335 PolarHBondContact OD1-N 3.18Å; N333-Y336 PolarHBondContact O-N 3.32Å; N333-Y336 PolarHBondContact OD1-N 3.11Å; N333-F337 PolarHBondContact O-N 3.45Å
334	R	98.7	Very high	97.3	Very high	68 Å²	68	22.1 Å²	22.1	26%	0.257	12%	0.116	S	C	.	.	H	α-helix	trans	-60.7	-44.7	-176.4	-176.6	174.4	59.6	76.6	0.2	112.3	A236 G238 E239 L241 M332 Y336 F337 H338	A236-R334 WeakPolarHBondContact O-CD 3.35Å; G238-R334 WeakPolarHBondContact O-CD 3.17Å; G238-R334 PolarHBondContact O-NE 3.32Å; E239-R334 WeakPolarHBondContact O-CB 3.48Å; E239-R334 PolarHBondContact O-N 2.8Å; L241-R334 HydrophobicContact CD1-CB 4.25Å; L241-R334 HydrophobicContact CD1-CG 4.05Å; L241-R334 HydrophobicContact CD2-CB 4.23Å; L241-R334 HydrophobicContact CD2-CG 3.96Å; L241-R334 HydrophobicContact CG-CB 3.81Å; L241-R334 HydrophobicContact CG-CG 3.9Å; M332-R334 PolarHBondContact O-N 2.8Å; R334-Y336 VanDerWaalsContact C-N 3.31Å; R334-Y336 PolarHBondContact O-N 3.4Å; R334-F337 WeakPolarHBondContact O-CB 3.3Å; R334-F337 PolarHBondContact O-N 2.89Å; R334-H338 PolarHBondContact O-CD2 3.38Å; R334-H338 PolarHBondContact O-N 2.84Å
335	Q	98.5	Very high	97.2	Very high	92 Å²	92	24.9 Å²	24.9	43%	0.43	14%	0.135	S	C	.	.	H	α-helix	trans	-66.8	-36.4	-179.4	-174.5	55.2	41.4	0	0	111	R266 N333 H338 E339	R266-Q335 VanDerWaalsContact NH1-CG 3.35Å; N333-Q335 PolarHBondContact O-N 3.07Å; N333-Q335 WeakPolarHBondContact OD1-CB 3.47Å; N333-Q335 PolarHBondContact OD1-N 3.18Å; Q335-H338 PolarHBondContact O-N 3.21Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.35Å; Q335-E339 WeakPolarHBondContact O-CG 3.49Å; Q335-E339 PolarHBondContact O-N 3.04Å
336	Y	98.6	Very high	97.1	Very high	9 Å²	9	25.7 Å²	25.7	4%	0.035	14%	0.144	C	C	.	.	H	α-helix	trans	-66.9	-35.8	174.3	-176.1	-130.6	0	0	0	112.4	R266 H267 V269 M332 N333 R334 H338 E339 L340 G366	R266-Y336 VanDerWaalsContact NH1-N 3.11Å; H267-Y336 HydrophobicContact CB-CE1 4.12Å; H267-Y336 HydrophobicContact CB-CE2 4.16Å; H267-Y336 AromaticContact CD2-CD2 3.31Å; H267-Y336 WeakPolarHBondContact CD2-CD2 3.46Å; H267-Y336 AromaticContact CD2-CE2 3.38Å; H267-Y336 WeakPolarHBondContact CD2-CE2 3.14Å; H267-Y336 AromaticContact CD2-CG 3.87Å; H267-Y336 AromaticContact CG-CE2 3.97Å; H267-Y336 WeakPolarHBondContact O-CE1 3.34Å; V269-Y336 HydrophobicContact CG2-CD1 4.45Å; V269-Y336 HydrophobicContact CG2-CE1 4.15Å; M332-Y336 HydrophobicContact CE-CD1 3.68Å; M332-Y336 HydrophobicContact CE-CE1 4.31Å; M332-Y336 HydrophobicContact CE-CG 4.34Å; N333-Y336 PolarHBondContact O-N 3.32Å; N333-Y336 PolarHBondContact OD1-N 3.11Å; R334-Y336 VanDerWaalsContact C-N 3.31Å; R334-Y336 PolarHBondContact O-N 3.4Å; Y336-H338 VanDerWaalsContact C-N 3.31Å; Y336-H338 PolarHBondContact O-N 2.86Å; Y336-E339 PolarHBondContact O-N 3.41Å; Y336-L340 HydrophobicContact CD1-CD1 4.08Å; Y336-L340 HydrophobicContact CD1-CG 4.5Å; Y336-L340 HydrophobicContact CD2-CD1 4.48Å; Y336-L340 HydrophobicContact CD2-CG 4.04Å; Y336-L340 HydrophobicContact CE1-CD1 3.51Å; Y336-L340 HydrophobicContact CE1-CG 4.08Å; Y336-L340 HydrophobicContact CE2-CD1 3.99Å; Y336-L340 HydrophobicContact CE2-CD2 3.84Å; Y336-L340 HydrophobicContact CE2-CG 3.6Å; Y336-L340 HydrophobicContact CG-CG 4.48Å; Y336-L340 VanDerWaalsContact CZ-CD1 3.46Å; Y336-L340 WeakPolarHBondContact O-CB 3.4Å; Y336-L340 WeakPolarHBondContact O-CG 3.42Å; Y336-L340 PolarHBondContact O-N 3.42Å; Y336-G366 WeakPolarHBondContact OH-CA 3.39Å; Y336-G366 PolarHBondContact OH-N 3.25Å
337	F	98.6	Very high	97.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.2	-42	173.4	-179.3	-111.6	0	0	0	112.1	M230 A233 L241 F243 M332 N333 R334 Q342 Y343 I357	M230-F337 HydrophobicContact CG-CZ 4.43Å; A233-F337 HydrophobicContact CB-CD1 4.04Å; A233-F337 HydrophobicContact CB-CE1 3.63Å; L241-F337 HydrophobicContact CD1-CB 3.94Å; L241-F337 HydrophobicContact CD1-CD1 3.67Å; L241-F337 HydrophobicContact CD1-CE1 4.39Å; L241-F337 HydrophobicContact CD1-CG 3.92Å; F243-F337 HydrophobicContact CZ-CZ 4.37Å; M332-F337 HydrophobicContact CE-CB 3.61Å; M332-F337 HydrophobicContact CE-CD2 4.06Å; M332-F337 HydrophobicContact CE-CG 4.35Å; M332-F337 HydrophobicContact CG-CB 4.25Å; M332-F337 HydrophobicContact SD-CB 3.77Å; M332-F337 HydrophobicContact SD-CD2 3.47Å; M332-F337 WeakPolarHBondContact SD-CD2 3.45Å; M332-F337 HydrophobicContact SD-CE2 4.46Å; M332-F337 HydrophobicContact SD-CG 4.03Å; N333-F337 PolarHBondContact O-N 3.45Å; R334-F337 WeakPolarHBondContact O-CB 3.3Å; R334-F337 PolarHBondContact O-N 2.89Å; F337-Q342 HydrophobicContact CD1-CB 4.31Å; F337-Q342 HydrophobicContact CD1-CG 3.92Å; F337-Q342 HydrophobicContact CE1-CB 3.67Å; F337-Q342 HydrophobicContact CE1-CG 3.65Å; F337-Q342 HydrophobicContact CE2-CB 4.32Å; F337-Q342 HydrophobicContact CZ-CB 3.7Å; F337-Q342 HydrophobicContact CZ-CG 4.21Å; F337-Q342 WeakPolarHBondContact O-CA 3.41Å; F337-Q342 PolarHBondContact O-N 2.92Å; F337-Y343 HydrophobicContact CE2-CD2 4.16Å; F337-Y343 HydrophobicContact CE2-CE2 4.21Å; F337-Y343 AromaticContact CZ-CD2 3.96Å; F337-Y343 HydrophobicContact CZ-CD2 3.96Å; F337-Y343 HydrophobicContact CZ-CE2 4.26Å; F337-I357 HydrophobicContact CD2-CD1 4.47Å; F337-I357 HydrophobicContact CE2-CD1 4.15Å
338	H	98.1	Very high	97.3	Very high	55 Å²	55	25.9 Å²	25.9	26%	0.255	14%	0.14	S	C	.	.	H	α-helix	trans	-68.4	-42.1	175.8	-63.6	-59.8	0	0	0	112.6	R334 Q335 Y336 L340 G341 Q342	R334-H338 PolarHBondContact O-CD2 3.38Å; R334-H338 PolarHBondContact O-N 2.84Å; Q335-H338 PolarHBondContact O-N 3.21Å; Y336-H338 VanDerWaalsContact C-N 3.31Å; Y336-H338 PolarHBondContact O-N 2.86Å; H338-L340 VanDerWaalsContact C-N 3.33Å; H338-L340 PolarHBondContact O-N 3.03Å; H338-G341 WeakPolarHBondContact O-CA 3.35Å; H338-G341 PolarHBondContact O-N 3.12Å; H338-Q342 PolarHBondContact ND1-NE2 2.56Å; H338-Q342 VanDerWaalsContact ND1-NE2 3.17Å
339	E	97.9	Very high	97.2	Very high	77 Å²	77	26.4 Å²	26.4	36%	0.36	14%	0.14	S	C	.	.	H	α-helix	trans	-64.3	-37	178.1	-72.7	166.3	-148	0	0	113.1	R266 Q335 Y336 G341	R266-E339 IonicContact CZ-OE1 3.55Å; R266-E339 VanDerWaalsContact CZ-OE1 3.28Å; R266-E339 IonicContact CZ-OE2 3.2Å; R266-E339 IonicContact NH1-OE1 3.87Å; R266-E339 PolarHBondContact NH1-OE1 3.08Å; R266-E339 IonicContact NH1-OE2 3.66Å; R266-E339 IonicContact NH2-OE1 3.04Å; R266-E339 PolarHBondContact NH2-OE1 2.73Å; R266-E339 IonicContact NH2-OE2 3.91Å; R266-E339 PolarHBondContact NH2-OE2 3.2Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.35Å; Q335-E339 WeakPolarHBondContact O-CG 3.49Å; Q335-E339 PolarHBondContact O-N 3.04Å; Y336-E339 PolarHBondContact O-N 3.41Å; E339-G341 PolarHBondContact O-N 2.04Å; E339-G341 VanDerWaalsContact O-N 3.13Å
340	L	97.7	Very high	96.9	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-0.4	171.4	-77.3	-173.4	0	0	0	113	M332 Y336 H338 R360 I361 C364 L439	M332-L340 HydrophobicContact CE-CD1 4.18Å; Y336-L340 HydrophobicContact CD1-CD1 4.08Å; Y336-L340 HydrophobicContact CD1-CG 4.5Å; Y336-L340 HydrophobicContact CD2-CD1 4.48Å; Y336-L340 HydrophobicContact CD2-CG 4.04Å; Y336-L340 HydrophobicContact CE1-CD1 3.51Å; Y336-L340 HydrophobicContact CE1-CG 4.08Å; Y336-L340 HydrophobicContact CE2-CD1 3.99Å; Y336-L340 HydrophobicContact CE2-CD2 3.84Å; Y336-L340 HydrophobicContact CE2-CG 3.6Å; Y336-L340 HydrophobicContact CG-CG 4.48Å; Y336-L340 VanDerWaalsContact CZ-CD1 3.46Å; Y336-L340 WeakPolarHBondContact O-CB 3.4Å; Y336-L340 WeakPolarHBondContact O-CG 3.42Å; Y336-L340 PolarHBondContact O-N 3.42Å; H338-L340 VanDerWaalsContact C-N 3.33Å; H338-L340 PolarHBondContact O-N 3.03Å; L340-R360 HydrophobicContact CD2-CG 4.31Å; L340-R360 WeakPolarHBondContact O-CD 3.34Å; L340-R360 PolarHBondContact O-NE 3.43Å; L340-I361 HydrophobicContact CD1-CG1 3.84Å; L340-C364 HydrophobicContact CD2-CB 4.29Å; L340-L439 HydrophobicContact CD2-CD1 4.26Å
341	G	97.6	Very high	96.5	Very high	23 Å²	23	30.4 Å²	30.4	24%	0.237	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	31.6	179.9	0	0	0	0	0	113.6	H338 E339 R432	H338-G341 WeakPolarHBondContact O-CA 3.35Å; H338-G341 PolarHBondContact O-N 3.12Å; E339-G341 PolarHBondContact O-N 2.04Å; E339-G341 VanDerWaalsContact O-N 3.13Å; G341-R432 PolarHBondContact O-NH1 3.09Å
342	Q	97.4	Very high	96.3	Very high	56 Å²	56	30.4 Å²	30.4	26%	0.262	16%	0.155	S	C	.	.			trans	49.7	-150.4	173.4	-51.1	-178.8	29.8	0	0	112.2	M230 F337 H338 R360	M230-Q342 HydrophobicContact CG-CB 4.2Å; M230-Q342 HydrophobicContact SD-CB 3.94Å; F337-Q342 HydrophobicContact CD1-CB 4.31Å; F337-Q342 HydrophobicContact CD1-CG 3.92Å; F337-Q342 HydrophobicContact CE1-CB 3.67Å; F337-Q342 HydrophobicContact CE1-CG 3.65Å; F337-Q342 HydrophobicContact CE2-CB 4.32Å; F337-Q342 HydrophobicContact CZ-CB 3.7Å; F337-Q342 HydrophobicContact CZ-CG 4.21Å; F337-Q342 WeakPolarHBondContact O-CA 3.41Å; F337-Q342 PolarHBondContact O-N 2.92Å; H338-Q342 PolarHBondContact ND1-NE2 2.56Å; H338-Q342 VanDerWaalsContact ND1-NE2 3.17Å; Q342-R360 VanDerWaalsContact O-CZ 3.26Å; Q342-R360 PolarHBondContact O-NH2 2.86Å
343	Y	98.1	Very high	96.2	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.012	16%	0.156	C	C	.	.	S	Bend	trans	-79.1	162.5	168.3	-74.4	-73.3	0	0	0	112	I226 R229 M230 F330 F337 S345 E353 I357	I226-Y343 VanDerWaalsContact CG2-CB 3.4Å; I226-Y343 HydrophobicContact CG2-CD1 4.31Å; I226-Y343 HydrophobicContact CG2-CD2 4.34Å; I226-Y343 HydrophobicContact CG2-CG 3.8Å; R229-Y343 HydrophobicContact CB-CD2 4.5Å; R229-Y343 HydrophobicContact CB-CE2 4.18Å; R229-Y343 PolarHBondContact NH1-OH 3.49Å; M230-Y343 HydrophobicContact CG-CD2 4.15Å; F330-Y343 VanDerWaalsContact CE1-OH 3.23Å; F330-Y343 WeakPolarHBondContact CE1-OH 3.24Å; F330-Y343 VanDerWaalsContact CZ-OH 3.31Å; F330-Y343 WeakPolarHBondContact CZ-OH 3.44Å; F337-Y343 HydrophobicContact CE2-CD2 4.16Å; F337-Y343 HydrophobicContact CE2-CE2 4.21Å; F337-Y343 AromaticContact CZ-CD2 3.96Å; F337-Y343 HydrophobicContact CZ-CD2 3.96Å; F337-Y343 HydrophobicContact CZ-CE2 4.26Å; Y343-S345 PolarHBondContact O-N 2.77Å; Y343-E353 HydrophobicContact CD1-CB 4.07Å; Y343-E353 HydrophobicContact CD1-CG 4.45Å; Y343-E353 HydrophobicContact CE1-CB 4.06Å; Y343-E353 HydrophobicContact CE1-CG 4Å; Y343-I357 HydrophobicContact CD1-CB 4.41Å; Y343-I357 HydrophobicContact CD1-CD1 4.27Å; Y343-I357 HydrophobicContact CE1-CB 4.01Å; Y343-I357 HydrophobicContact CE1-CD1 3.82Å; Y343-I357 HydrophobicContact CE1-CG2 3.9Å
344	D	97.9	Very high	96.2	Very high	3 Å²	3	30 Å²	30	2%	0.016	15%	0.153	C	C	.	.			trans	-68.4	107.6	166.2	178.1	6.2	0	0	0	109.7	G346 M347 R401 R432	D344-G346 PolarHBondContact O-N 3.33Å; D344-G346 VanDerWaalsContact O-N 3.16Å; D344-G346 PolarHBondContact OD1-N 3.22Å; D344-M347 HydrophobicContact CB-CE 4.32Å; D344-M347 HydrophobicContact CB-CG 3.97Å; D344-M347 HydrophobicContact CB-SD 4.24Å; D344-M347 WeakPolarHBondContact O-CB 3.23Å; D344-M347 PolarHBondContact O-N 2.73Å; D344-R401 IonicContact OD1-CZ 3.07Å; D344-R401 IonicContact OD1-NE 3.9Å; D344-R401 IonicContact OD1-NH2 3.77Å; D344-R401 PolarHBondContact OD1-NH2 3.35Å; D344-R401 IonicContact OD2-CZ 2.8Å; D344-R401 IonicContact OD2-NE 3.92Å; D344-R401 PolarHBondContact OD2-NE 2.98Å; D344-R401 IonicContact OD2-NH2 3.89Å; D344-R401 PolarHBondContact OD2-NH2 2.72Å; D344-R401 VanDerWaalsContact OD2-NH2 3.17Å; D344-R432 HydrophobicContact CB-CG 4.4Å
345	S	96.2	Very high	96.1	Very high	58 Å²	58	26.8 Å²	26.8	41%	0.406	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.3	-178.9	61.4	0	0	0	0	114.3	R227 Y343 M347	R227-S345 VanDerWaalsContact CZ-O 3.27Å; R227-S345 PolarHBondContact NE-O 3.35Å; R227-S345 PolarHBondContact NH2-O 3.48Å; Y343-S345 PolarHBondContact O-N 2.77Å; S345-M347 VanDerWaalsContact C-N 3.32Å
346	G	96.1	Very high	96.1	Very high	19 Å²	19	22.4 Å²	22.4	20%	0.196	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-1	172.9	0	0	0	0	0	114.4	D344 H397 R401	D344-G346 PolarHBondContact O-N 3.33Å; D344-G346 VanDerWaalsContact O-N 3.16Å; D344-G346 PolarHBondContact OD1-N 3.22Å; G346-H397 PolarHBondContact O-NE2 2.82Å; G346-H397 VanDerWaalsContact O-NE2 3.12Å; G346-R401 WeakPolarHBondContact O-CD 3.25Å; G346-R401 PolarHBondContact O-NE 3.43Å
347	M	96.1	Very high	96.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.			trans	-82.9	142.5	170.5	-68	-174	170	0	0	111.6	I226 R227 D344 S345 E353 E356 N398 R401 L402	I226-M347 HydrophobicContact CD1-CB 3.34Å; I226-M347 HydrophobicContact CD1-CG 4.38Å; I226-M347 HydrophobicContact CD1-SD 4.24Å; I226-M347 HydrophobicContact CG2-CB 4.49Å; R227-M347 PolarHBondContact NH2-O 3.26Å; D344-M347 HydrophobicContact CB-CE 4.32Å; D344-M347 HydrophobicContact CB-CG 3.97Å; D344-M347 HydrophobicContact CB-SD 4.24Å; D344-M347 WeakPolarHBondContact O-CB 3.23Å; D344-M347 PolarHBondContact O-N 2.73Å; S345-M347 VanDerWaalsContact C-N 3.32Å; M347-E353 HydrophobicContact SD-CB 3.96Å; M347-E356 HydrophobicContact CE-CB 3.71Å; M347-E356 HydrophobicContact CE-CG 3.64Å; M347-N398 VanDerWaalsContact CA-OD1 3.23Å; M347-N398 WeakPolarHBondContact CA-OD1 3.13Å; M347-N398 HydrophobicContact CB-CB 4.27Å; M347-N398 WeakPolarHBondContact CB-OD1 3.16Å; M347-N398 HydrophobicContact CE-CB 4.35Å; M347-N398 WeakPolarHBondContact CE-O 3.44Å; M347-N398 HydrophobicContact CG-CB 3.95Å; M347-N398 HydrophobicContact SD-CB 4.14Å; M347-R401 HydrophobicContact CE-CB 4.5Å; M347-L402 HydrophobicContact CE-CB 4.23Å
348	D	92.3	Very high	96.1	Very high	37 Å²	37	22 Å²	22	20%	0.198	12%	0.119	C	C	.	.			trans	-109.9	138.2	-172.8	-64.8	-45.9	0	0	0	112.4	R227 W350 T394 H397 N398	R227-D348 IonicContact CZ-OD1 2.85Å; R227-D348 IonicContact NH1-OD1 3.61Å; R227-D348 PolarHBondContact NH1-OD1 3.26Å; R227-D348 IonicContact NH2-OD1 3.28Å; R227-D348 PolarHBondContact NH2-OD1 3.37Å; D348-W350 VanDerWaalsContact C-N 3.26Å; D348-W350 PolarHBondContact O-N 2.88Å; D348-T394 HydrophobicContact CB-CG2 3.99Å; D348-T394 WeakPolarHBondContact O-CB 3.4Å; D348-H397 IonicContact OD2-CD2 3.93Å; D348-H397 PolarHBondContact OD2-CD2 3.31Å; D348-H397 VanDerWaalsContact OD2-CD2 3.25Å; D348-H397 IonicContact OD2-NE2 3.93Å; D348-H397 PolarHBondContact OD2-NE2 3.49Å; D348-N398 PolarHBondContact N-OD1 2.78Å; D348-N398 PolarHBondContact O-ND2 2.74Å
349	I	89	Confident	96.2	Very high	23 Å²	23	19.4 Å²	19.4	12%	0.118	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	51.3	-74.1	171.8	-51.3	-60.1	0	0	0	115	R222 L225 T394	R222-I349 HydrophobicContact CG-CD1 4.36Å; L225-I349 VanDerWaalsContact CB-O 3.31Å; L225-I349 WeakPolarHBondContact CB-O 3.46Å; L225-I349 PolarHBondContact N-O 2.74Å; I349-T394 HydrophobicContact CB-CG2 4.11Å; I349-T394 HydrophobicContact CG1-CG2 4.14Å
350	W	91.5	Very high	96.2	Very high	90 Å²	90	15.8 Å²	15.8	34%	0.341	9%	0.09	S	C	.	.	S	Bend	trans	-159.1	144.8	-173.7	-176.5	94.6	0	0	0	111.2	D348 R384 T394 M395 N398	D348-W350 VanDerWaalsContact C-N 3.26Å; D348-W350 PolarHBondContact O-N 2.88Å; W350-R384 VanDerWaalsContact CZ3-CZ 3.47Å; W350-T394 PolarHBondContact O-OG1 3.16Å; W350-M395 HydrophobicContact CE3-SD 4.48Å; W350-M395 HydrophobicContact CH2-SD 4.38Å; W350-M395 HydrophobicContact CZ3-SD 3.76Å; W350-N398 PolarHBondContact O-ND2 2.85Å
351	G	90.9	Very high	96.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	115.2	136.2	163.6	0	0	0	0	0	112.5	E353 M395 N398	G351-E353 WeakPolarHBondContact CA-OE2 3.43Å; G351-E353 PolarHBondContact N-OE2 2.84Å; G351-E353 PolarHBondContact O-N 2.72Å; G351-E353 VanDerWaalsContact O-N 3.13Å; G351-M395 WeakPolarHBondContact CA-SD 3.41Å; G351-N398 WeakPolarHBondContact O-CB 3.3Å; G351-N398 PolarHBondContact O-ND2 2.95Å
352	G	93.9	Very high	96.3	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.01	8%	0.081	C	C	.	.	S	Bend	trans	77.9	-17.7	176.3	0	0	0	0	0	114.8	N354 L355 E356	G352-N354 PolarHBondContact O-N 2.85Å; G352-L355 PolarHBondContact O-N 2.83Å; G352-E356 PolarHBondContact O-N 3.18Å
353	E	96.9	Very high	96.3	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.019	7%	0.069	C	C	.	.	H	α-helix	trans	-61.6	-35.3	-179.5	79.7	-67.8	162.3	0	0	111.9	I226 Y343 M347 G351 E356 I357	I226-E353 HydrophobicContact CD1-CB 3.73Å; I226-E353 HydrophobicContact CD1-CG 4.28Å; I226-E353 HydrophobicContact CG1-CB 3.85Å; I226-E353 HydrophobicContact CG1-CG 3.95Å; Y343-E353 HydrophobicContact CD1-CB 4.07Å; Y343-E353 HydrophobicContact CD1-CG 4.45Å; Y343-E353 HydrophobicContact CE1-CB 4.06Å; Y343-E353 HydrophobicContact CE1-CG 4Å; M347-E353 HydrophobicContact SD-CB 3.96Å; G351-E353 WeakPolarHBondContact CA-OE2 3.43Å; G351-E353 PolarHBondContact N-OE2 2.84Å; G351-E353 PolarHBondContact O-N 2.72Å; G351-E353 VanDerWaalsContact O-N 3.13Å; E353-E356 PolarHBondContact O-N 3.49Å; E353-I357 VanDerWaalsContact O-CG2 3.23Å; E353-I357 WeakPolarHBondContact O-CG2 3.42Å; E353-I357 PolarHBondContact O-N 3.1Å; E353-I357 VanDerWaalsContact O-N 3.08Å
354	N	97.5	Very high	96.4	Very high	8 Å²	8	13.8 Å²	13.8	4%	0.043	8%	0.076	C	C	.	.	H	α-helix	trans	-67.7	-39.1	-179.5	68.4	-53.9	0	0	0	111.7	M325 G352 I357 S358	M325-N354 PolarHBondContact O-ND2 3.45Å; G352-N354 PolarHBondContact O-N 2.85Å; N354-I357 WeakPolarHBondContact O-CG2 3.33Å; N354-S358 WeakPolarHBondContact O-CB 3.44Å; N354-S358 PolarHBondContact O-N 2.99Å; N354-S358 PolarHBondContact O-OG 2.89Å
355	L	98.3	Very high	96.3	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-71.2	-39.5	174.3	-59.7	-172.3	0	0	0	111.2	F294 L298 T324 G352 S358 F359 L402	F294-L355 HydrophobicContact CB-CD1 3.97Å; F294-L355 HydrophobicContact CB-CD2 3.82Å; F294-L355 HydrophobicContact CG-CD1 4.46Å; F294-L355 HydrophobicContact CG-CD2 4.48Å; L298-L355 HydrophobicContact CB-CD1 4.19Å; L298-L355 WeakPolarHBondContact O-CD1 3.09Å; T324-L355 HydrophobicContact CG2-CD2 3.71Å; G352-L355 PolarHBondContact O-N 2.83Å; L355-S358 PolarHBondContact O-N 2.84Å; L355-F359 HydrophobicContact CB-CE2 4.33Å; L355-F359 HydrophobicContact CB-CZ 4.29Å; L355-F359 VanDerWaalsContact O-CG 3.24Å; L355-F359 WeakPolarHBondContact O-CG 3.17Å; L355-F359 PolarHBondContact O-N 3.1Å; L355-L402 HydrophobicContact CB-CD1 3.65Å
356	E	98.5	Very high	96.4	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-61.9	-50.7	-177.6	-165.5	-89.4	160.4	0	0	112.5	M347 G352 E353 S358 F359 R360 L402 W406 R432	M347-E356 HydrophobicContact CE-CB 3.71Å; M347-E356 HydrophobicContact CE-CG 3.64Å; G352-E356 PolarHBondContact O-N 3.18Å; E353-E356 PolarHBondContact O-N 3.49Å; E356-S358 VanDerWaalsContact C-N 3.33Å; E356-S358 PolarHBondContact O-N 3.29Å; E356-F359 PolarHBondContact O-N 3.17Å; E356-R360 WeakPolarHBondContact O-CB 3.39Å; E356-R360 PolarHBondContact O-N 3.36Å; E356-R360 IonicContact OE1-NH1 3.67Å; E356-R360 PolarHBondContact OE1-NH1 2.68Å; E356-R360 IonicContact OE2-CZ 3.49Å; E356-R360 IonicContact OE2-NH1 3.84Å; E356-R360 PolarHBondContact OE2-NH1 2.89Å; E356-R360 IonicContact OE2-NH2 2.81Å; E356-L402 HydrophobicContact CB-CB 4.41Å; E356-L402 HydrophobicContact CB-CD1 3.67Å; E356-L402 HydrophobicContact CG-CB 4.38Å; E356-L402 HydrophobicContact CG-CD1 4.32Å; E356-W406 PolarHBondContact OE1-NE1 3.33Å; E356-R432 IonicContact OE1-CZ 3.05Å; E356-R432 IonicContact OE1-NE 3.56Å; E356-R432 IonicContact OE1-NH2 3.31Å; E356-R432 PolarHBondContact OE1-NH2 3.26Å; E356-R432 VanDerWaalsContact OE1-NH2 3.08Å; E356-R432 IonicContact OE2-NH2 3.32Å
357	I	98.4	Very high	96.5	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-67.3	-35.1	177	-170.2	159.9	0	0	0	111.4	M325 F337 Y343 E353 N354 R360 I361	M325-I357 HydrophobicContact CE-CB 4.34Å; M325-I357 HydrophobicContact CE-CD1 4.47Å; M325-I357 HydrophobicContact CE-CG1 4.18Å; M325-I357 HydrophobicContact CE-CG2 3.27Å; F337-I357 HydrophobicContact CD2-CD1 4.47Å; F337-I357 HydrophobicContact CE2-CD1 4.15Å; Y343-I357 HydrophobicContact CD1-CB 4.41Å; Y343-I357 HydrophobicContact CD1-CD1 4.27Å; Y343-I357 HydrophobicContact CE1-CB 4.01Å; Y343-I357 HydrophobicContact CE1-CD1 3.82Å; Y343-I357 HydrophobicContact CE1-CG2 3.9Å; E353-I357 VanDerWaalsContact O-CG2 3.23Å; E353-I357 WeakPolarHBondContact O-CG2 3.42Å; E353-I357 PolarHBondContact O-N 3.1Å; E353-I357 VanDerWaalsContact O-N 3.08Å; N354-I357 WeakPolarHBondContact O-CG2 3.33Å; I357-R360 VanDerWaalsContact CG1-NH2 3.34Å; I357-R360 PolarHBondContact O-N 2.89Å; I357-I361 HydrophobicContact CG1-CD1 3.85Å; I357-I361 HydrophobicContact CG1-CG1 4.23Å; I357-I361 WeakPolarHBondContact O-CB 3.39Å; I357-I361 WeakPolarHBondContact O-CD1 3.35Å; I357-I361 WeakPolarHBondContact O-CG1 3.36Å; I357-I361 PolarHBondContact O-N 3.36Å
358	S	98.7	Very high	96.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.5	-46.9	175.9	-71.1	0	0	0	0	112.7	T324 M325 N354 L355 E356 R360 I361 W362 L368	T324-S358 VanDerWaalsContact CA-OG 3.31Å; T324-S358 WeakPolarHBondContact CA-OG 3.34Å; M325-S358 PolarHBondContact N-OG 2.89Å; N354-S358 WeakPolarHBondContact O-CB 3.44Å; N354-S358 PolarHBondContact O-N 2.99Å; N354-S358 PolarHBondContact O-OG 2.89Å; L355-S358 PolarHBondContact O-N 2.84Å; E356-S358 VanDerWaalsContact C-N 3.33Å; E356-S358 PolarHBondContact O-N 3.29Å; S358-R360 VanDerWaalsContact C-N 3.33Å; S358-I361 PolarHBondContact O-N 3.35Å; S358-W362 PolarHBondContact O-N 2.86Å; S358-L368 WeakPolarHBondContact OG-CD2 3.24Å
359	F	98.6	Very high	96.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.1	-44.8	176.5	-62.8	-16.7	0	0	0	110.5	F294 T324 L355 E356 W362 M363 L402 W406 L407 F444 Y447	F294-F359 HydrophobicContact CD1-CE1 4.01Å; F294-F359 HydrophobicContact CD1-CZ 4.01Å; F294-F359 HydrophobicContact CD2-CZ 4.28Å; F294-F359 AromaticContact CE1-CE1 3.7Å; F294-F359 HydrophobicContact CE1-CE1 3.7Å; F294-F359 AromaticContact CE1-CZ 3.74Å; F294-F359 HydrophobicContact CE1-CZ 3.74Å; F294-F359 HydrophobicContact CE2-CZ 4.08Å; F294-F359 HydrophobicContact CG-CZ 4.29Å; F294-F359 HydrophobicContact CZ-CE1 4.19Å; F294-F359 AromaticContact CZ-CZ 3.83Å; F294-F359 HydrophobicContact CZ-CZ 3.83Å; T324-F359 HydrophobicContact CG2-CE1 4.04Å; L355-F359 HydrophobicContact CB-CE2 4.33Å; L355-F359 HydrophobicContact CB-CZ 4.29Å; L355-F359 VanDerWaalsContact O-CG 3.24Å; L355-F359 WeakPolarHBondContact O-CG 3.17Å; L355-F359 PolarHBondContact O-N 3.1Å; E356-F359 PolarHBondContact O-N 3.17Å; F359-W362 PolarHBondContact O-N 3.12Å; F359-M363 HydrophobicContact CB-SD 3.97Å; F359-M363 WeakPolarHBondContact O-CB 3.36Å; F359-M363 WeakPolarHBondContact O-CG 3.37Å; F359-M363 PolarHBondContact O-N 3.37Å; F359-L402 HydrophobicContact CD2-CD1 3.91Å; F359-L402 HydrophobicContact CD2-CG 4.3Å; F359-L402 HydrophobicContact CE2-CD1 3.88Å; F359-L402 HydrophobicContact CE2-CD2 4.07Å; F359-L402 HydrophobicContact CE2-CG 4.26Å; F359-W406 HydrophobicContact CB-CB 4.39Å; F359-W406 HydrophobicContact CD2-CB 4.15Å; F359-L407 HydrophobicContact CD2-CD2 4.33Å; F359-L407 HydrophobicContact CE2-CD2 3.78Å; F359-L407 HydrophobicContact CZ-CD2 4.47Å; F359-F444 HydrophobicContact CD1-CE2 4.23Å; F359-F444 HydrophobicContact CD2-CE2 4.09Å; F359-F444 HydrophobicContact CE1-CE2 4.16Å; F359-F444 AromaticContact CE2-CE2 3.99Å; F359-F444 HydrophobicContact CE2-CE2 3.99Å; F359-F444 HydrophobicContact CE2-CZ 4.44Å; F359-F444 HydrophobicContact CG-CE2 4.21Å; F359-F444 HydrophobicContact CZ-CE2 4.04Å; F359-F444 HydrophobicContact CZ-CZ 4.26Å; F359-Y447 HydrophobicContact CD1-CE1 4.07Å; F359-Y447 HydrophobicContact CD1-CE2 4.05Å; F359-Y447 AromaticContact CD1-CZ 3.72Å; F359-Y447 AromaticContact CE1-CE1 3.93Å; F359-Y447 HydrophobicContact CE1-CE1 3.93Å; F359-Y447 AromaticContact CE1-CZ 3.8Å
360	R	98.3	Very high	97.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.8	-47	177.4	-175.3	170.8	66.5	-105.2	-4.1	112.4	L340 Q342 E356 I357 S358 W362 C364 W406	L340-R360 HydrophobicContact CD2-CG 4.31Å; L340-R360 WeakPolarHBondContact O-CD 3.34Å; L340-R360 PolarHBondContact O-NE 3.43Å; Q342-R360 VanDerWaalsContact O-CZ 3.26Å; Q342-R360 PolarHBondContact O-NH2 2.86Å; E356-R360 WeakPolarHBondContact O-CB 3.39Å; E356-R360 PolarHBondContact O-N 3.36Å; E356-R360 IonicContact OE1-NH1 3.67Å; E356-R360 PolarHBondContact OE1-NH1 2.68Å; E356-R360 IonicContact OE2-CZ 3.49Å; E356-R360 IonicContact OE2-NH1 3.84Å; E356-R360 PolarHBondContact OE2-NH1 2.89Å; E356-R360 IonicContact OE2-NH2 2.81Å; I357-R360 VanDerWaalsContact CG1-NH2 3.34Å; I357-R360 PolarHBondContact O-N 2.89Å; S358-R360 VanDerWaalsContact C-N 3.33Å; R360-W362 PolarHBondContact O-N 2.88Å; R360-C364 WeakPolarHBondContact O-CB 3.4Å; R360-C364 PolarHBondContact O-N 3.44Å; R360-C364 PolarHBondContact O-SG 2.96Å; R360-W406 HydrophobicContact CB-CH2 3.71Å; R360-W406 HydrophobicContact CB-CZ2 3.7Å; R360-W406 HydrophobicContact CB-CZ3 4.19Å; R360-W406 HydrophobicContact CG-CH2 3.47Å; R360-W406 VanDerWaalsContact CG-CH2 3.47Å; R360-W406 HydrophobicContact CG-CZ2 3.72Å; R360-W406 HydrophobicContact CG-CZ3 4.24Å
361	I	98.6	Very high	97.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-53.6	-55.6	178.4	-72.2	158.5	0	0	0	109.6	V269 M325 L340 I357 S358 G365 G366 L368	V269-I361 HydrophobicContact CB-CD1 3.92Å; V269-I361 HydrophobicContact CG1-CD1 3.93Å; V269-I361 HydrophobicContact CG2-CD1 3.65Å; V269-I361 HydrophobicContact CG2-CG1 3.96Å; V269-I361 HydrophobicContact CG2-CG2 4.17Å; M325-I361 HydrophobicContact CE-CD1 3.87Å; L340-I361 HydrophobicContact CD1-CG1 3.84Å; I357-I361 HydrophobicContact CG1-CD1 3.85Å; I357-I361 HydrophobicContact CG1-CG1 4.23Å; I357-I361 WeakPolarHBondContact O-CB 3.39Å; I357-I361 WeakPolarHBondContact O-CD1 3.35Å; I357-I361 WeakPolarHBondContact O-CG1 3.36Å; I357-I361 PolarHBondContact O-N 3.36Å; S358-I361 PolarHBondContact O-N 3.35Å; I361-G365 PolarHBondContact O-N 3Å; I361-G366 CarbonylContact O-C 3.58Å; I361-G366 VanDerWaalsContact O-CA 3.22Å; I361-G366 WeakPolarHBondContact O-CA 3.47Å; I361-G366 PolarHBondContact O-N 2.6Å; I361-L368 HydrophobicContact CG2-CB 4.3Å
362	W	98.6	Very high	97.8	Very high	17 Å²	17	12.2 Å²	12.2	6%	0.064	8%	0.076	C	C	.	.	H	α-helix	trans	-67	-48.7	-177.1	-80.8	118.3	0	0	0	113.4	K321 S322 P323 S358 F359 R360 C364 G365 K367 L368 W446 Y447 I451	K321-W362 HydrophobicContact CD-CH2 4.47Å; K321-W362 HydrophobicContact CG-CH2 4.36Å; S322-W362 PolarHBondContact O-NE1 3.07Å; P323-W362 PolarHBondContact O-NE1 3.48Å; S358-W362 PolarHBondContact O-N 2.86Å; F359-W362 PolarHBondContact O-N 3.12Å; R360-W362 PolarHBondContact O-N 2.88Å; W362-C364 PolarHBondContact O-N 2.81Å; W362-G365 PolarHBondContact O-N 3.37Å; W362-K367 HydrophobicContact CH2-CB 4.34Å; W362-K367 HydrophobicContact CZ3-CB 4.3Å; W362-K367 HydrophobicContact CZ3-CG 4.34Å; W362-L368 HydrophobicContact CZ2-CB 4.08Å; W362-L368 WeakPolarHBondContact CZ2-O 3.37Å; W362-W446 WeakPolarHBondContact O-CZ3 3.36Å; W362-Y447 HydrophobicContact CB-CD2 3.82Å; W362-Y447 HydrophobicContact CB-CE2 3.97Å; W362-Y447 AromaticContact CD1-CE2 3.8Å; W362-Y447 HydrophobicContact CG-CD2 4.34Å; W362-Y447 HydrophobicContact CG-CE2 4.08Å; W362-I451 HydrophobicContact CB-CG1 4.24Å; W362-I451 HydrophobicContact CD2-CD1 3.78Å; W362-I451 HydrophobicContact CD2-CG1 3.97Å; W362-I451 HydrophobicContact CD2-CG2 3.79Å; W362-I451 HydrophobicContact CE3-CD1 3.37Å; W362-I451 HydrophobicContact CE3-CG1 4.03Å; W362-I451 HydrophobicContact CG-CD1 4.43Å; W362-I451 HydrophobicContact CG-CG1 4.11Å; W362-I451 HydrophobicContact CG-CG2 3.86Å; W362-I451 HydrophobicContact CH2-CD1 4.27Å; W362-I451 HydrophobicContact CZ2-CG2 4.24Å; W362-I451 HydrophobicContact CZ3-CD1 3.65Å
363	M	98.6	Very high	97.9	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	8%	0.075	C	C	.	.	H	α-helix	trans	-69.6	-25.2	-174.4	-65.9	167.4	65.3	0	0	111.8	F359 W406 R436 C441 K442 F444 Y447	F359-M363 HydrophobicContact CB-SD 3.97Å; F359-M363 WeakPolarHBondContact O-CB 3.36Å; F359-M363 WeakPolarHBondContact O-CG 3.37Å; F359-M363 PolarHBondContact O-N 3.37Å; M363-W406 HydrophobicContact CE-CE3 3.99Å; M363-W406 HydrophobicContact SD-CE3 4.02Å; M363-R436 VanDerWaalsContact CE-NH2 3.3Å; M363-C441 HydrophobicContact CB-CB 4.3Å; M363-C441 CarbonylContact O-C 3.57Å; M363-C441 WeakPolarHBondContact O-CA 3.46Å; M363-C441 WeakPolarHBondContact O-CB 3.2Å; M363-K442 WeakPolarHBondContact CE-O 3.34Å; M363-K442 PolarHBondContact O-N 3.01Å; M363-F444 HydrophobicContact CE-CB 4.38Å; M363-F444 HydrophobicContact SD-CD2 4.05Å; M363-Y447 HydrophobicContact CG-CD2 4.32Å; M363-Y447 HydrophobicContact CG-CG 4.44Å
364	C	98.4	Very high	98	Very high	24 Å²	24	12 Å²	12	16%	0.162	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	23	-178.8	-48.1	0	0	0	0	113.1	L340 R360 W362 L439 C441	L340-C364 HydrophobicContact CD2-CB 4.29Å; R360-C364 WeakPolarHBondContact O-CB 3.4Å; R360-C364 PolarHBondContact O-N 3.44Å; R360-C364 PolarHBondContact O-SG 2.96Å; W362-C364 PolarHBondContact O-N 2.81Å; C364-L439 HydrophobicContact CB-CB 4.27Å; C364-L439 HydrophobicContact CB-CD1 4.26Å; C364-C441 HydrophobicContact CB-CB 4.06Å; C364-C441 WeakPolarHBondContact CB-SG 3.37Å; C364-C441 WeakPolarHBondContact SG-CB 3.46Å; C364-C441 CovalentContact SG-SG 2.03Å; C364-C441 PolarHBondContact SG-SG 2.85Å
365	G	97.1	Very high	98	Very high	60 Å²	60	12.3 Å²	12.3	62%	0.619	8%	0.075	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.3	3.8	167.1	0	0	0	0	0	116.4	I361 W362	I361-G365 PolarHBondContact O-N 3Å; W362-G365 PolarHBondContact O-N 3.37Å
366	G	98.3	Very high	98	Very high	4 Å²	4	12.3 Å²	12.3	4%	0.041	8%	0.075	C	C	.	.			trans	-84	-178.2	171.5	0	0	0	0	0	113.5	H267 Y336 I361	H267-G366 WeakPolarHBondContact O-CA 3.35Å; Y336-G366 WeakPolarHBondContact OH-CA 3.39Å; Y336-G366 PolarHBondContact OH-N 3.25Å; I361-G366 CarbonylContact O-C 3.58Å; I361-G366 VanDerWaalsContact O-CA 3.22Å; I361-G366 WeakPolarHBondContact O-CA 3.47Å; I361-G366 PolarHBondContact O-N 2.6Å
367	K	98.3	Very high	98	Very high	82 Å²	82	12.2 Å²	12.2	36%	0.357	7%	0.074	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.6	178.5	-58.8	166	-174	159.7	0	110	D265 H267 V269 W362 F369	D265-K367 WeakPolarHBondContact OD2-CE 3.43Å; D265-K367 IonicContact OD2-NZ 3.71Å; D265-K367 PolarHBondContact OD2-NZ 3.35Å; H267-K367 PolarHBondContact O-N 2.86Å; H267-K367 VanDerWaalsContact O-N 3.08Å; V269-K367 PolarHBondContact N-O 2.9Å; W362-K367 HydrophobicContact CH2-CB 4.34Å; W362-K367 HydrophobicContact CZ3-CB 4.3Å; W362-K367 HydrophobicContact CZ3-CG 4.34Å; K367-F369 HydrophobicContact CB-CD2 4.15Å; K367-F369 HydrophobicContact CB-CE2 3.5Å; K367-F369 VanDerWaalsContact CB-CE2 3.5Å; K367-F369 HydrophobicContact CB-CZ 4.18Å; K367-F369 HydrophobicContact CD-CE2 3.97Å; K367-F369 HydrophobicContact CD-CZ 4.31Å; K367-F369 HydrophobicContact CG-CE2 4.26Å
368	L	98.6	Very high	98	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119.4	177.1	-178	60.5	0	0	0	110.5	V269 S322 M325 S358 I361 W362	V269-L368 HydrophobicContact CB-CD1 3.95Å; V269-L368 HydrophobicContact CG1-CD1 3.75Å; V269-L368 WeakPolarHBondContact O-CA 3.35Å; S322-L368 PolarHBondContact N-O 3.46Å; M325-L368 HydrophobicContact CB-CD1 4.45Å; M325-L368 HydrophobicContact CB-CD2 4.14Å; M325-L368 HydrophobicContact CG-CD2 4.3Å; M325-L368 HydrophobicContact SD-CD1 4.11Å; S358-L368 WeakPolarHBondContact OG-CD2 3.24Å; I361-L368 HydrophobicContact CG2-CB 4.3Å; W362-L368 HydrophobicContact CZ2-CB 4.08Å; W362-L368 WeakPolarHBondContact CZ2-O 3.37Å
369	F	97.8	Very high	97.9	Very high	32 Å²	32	13.5 Å²	13.5	14%	0.14	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151.6	-179.7	-62.2	-82.3	0	0	0	113	T268 V269 V270 C271 P319 I320 K321 K367 I371	T268-F369 HydrophobicContact CG2-CD2 3.63Å; T268-F369 HydrophobicContact CG2-CE2 4Å; V269-F369 PolarHBondContact O-N 2.77Å; V270-F369 CarbonylContact C-O 3.49Å; V270-F369 WeakPolarHBondContact CA-O 3.19Å; V270-F369 HydrophobicContact CG1-CB 4.4Å; C271-F369 PolarHBondContact N-O 3.3Å; P319-F369 HydrophobicContact CB-CB 4.27Å; P319-F369 HydrophobicContact CB-CD1 3.98Å; P319-F369 HydrophobicContact CB-CG 4.19Å; I320-F369 CarbonylContact O-C 3.56Å; I320-F369 WeakPolarHBondContact O-CA 3.37Å; K321-F369 HydrophobicContact CB-CE1 4.46Å; K321-F369 HydrophobicContact CD-CE1 4.46Å; K321-F369 HydrophobicContact CG-CD1 3.94Å; K321-F369 HydrophobicContact CG-CE1 3.42Å; K321-F369 VanDerWaalsContact CG-CE1 3.42Å; K321-F369 HydrophobicContact CG-CZ 4.32Å; K367-F369 HydrophobicContact CB-CD2 4.15Å; K367-F369 HydrophobicContact CB-CE2 3.5Å; K367-F369 VanDerWaalsContact CB-CE2 3.5Å; K367-F369 HydrophobicContact CB-CZ 4.18Å; K367-F369 HydrophobicContact CD-CE2 3.97Å; K367-F369 HydrophobicContact CD-CZ 4.31Å; K367-F369 HydrophobicContact CG-CE2 4.26Å; F369-I371 HydrophobicContact CB-CD1 4.07Å
370	I	97.5	Very high	97.5	Very high	8 Å²	8	17.5 Å²	17.5	4%	0.041	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.5	159.8	-66.3	168.7	0	0	0	107.6	C271 V273 V290 R291 I320 P372	C271-I370 HydrophobicContact CB-CG1 4.16Å; C271-I370 CarbonylContact O-C 3.52Å; C271-I370 WeakPolarHBondContact O-CA 3.14Å; V273-I370 HydrophobicContact CG2-CG2 3.68Å; V290-I370 WeakPolarHBondContact O-CD1 3.35Å; R291-I370 HydrophobicContact CB-CD1 4.26Å; I320-I370 PolarHBondContact N-O 2.97Å; I320-I370 PolarHBondContact O-N 3.04Å; I370-P372 WeakPolarHBondContact O-CD 3.42Å
371	I	97.2	Very high	97.1	Very high	9 Å²	9	19.9 Å²	19.9	5%	0.046	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	102.7	-178	-53.5	-58.8	0	0	0	109.1	P257 L258 A261 V270 C271 P319 F369 C373 S374	P257-I371 HydrophobicContact CB-CG2 3.56Å; L258-I371 HydrophobicContact CD2-CB 3.89Å; L258-I371 HydrophobicContact CD2-CG1 3.82Å; A261-I371 HydrophobicContact CB-CD1 4.24Å; V270-I371 HydrophobicContact CB-CD1 4.44Å; V270-I371 HydrophobicContact CB-CG1 3.84Å; V270-I371 HydrophobicContact CG1-CD1 3.98Å; V270-I371 HydrophobicContact CG1-CG1 3.92Å; C271-I371 PolarHBondContact O-N 3.14Å; P319-I371 HydrophobicContact CB-CD1 3.68Å; P319-I371 HydrophobicContact CG-CD1 3.91Å; F369-I371 HydrophobicContact CB-CD1 4.07Å; I371-C373 PolarHBondContact O-N 3.34Å; I371-C373 VanDerWaalsContact O-N 3.12Å; I371-S374 PolarHBondContact O-N 3.09Å; I371-S374 VanDerWaalsContact O-O 3.07Å
372	P	95.4	Very high	96.2	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.019	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	-24.8	-171.2	-26.6	36.9	0	0	0	115.6	V289 A316 A318 I320 I370 S374 R375	V289-P372 HydrophobicContact CG1-CG 4.28Å; A316-P372 WeakPolarHBondContact O-CB 3.48Å; A318-P372 WeakPolarHBondContact O-CD 3.47Å; A318-P372 VanDerWaalsContact O-CG 3.3Å; A318-P372 WeakPolarHBondContact O-CG 3.2Å; I320-P372 HydrophobicContact CD1-CG 3.69Å; I320-P372 HydrophobicContact CG1-CG 4.1Å; I370-P372 WeakPolarHBondContact O-CD 3.42Å; P372-S374 VanDerWaalsContact C-N 3.34Å; P372-R375 PolarHBondContact O-NE 3.15Å
373	C	96.4	Very high	95.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-13.4	177.4	-61.5	0	0	0	0	113.6	R137 C141 P257 I371	R137-C373 WeakPolarHBondContact CD-O 3.33Å; C141-C373 HydrophobicContact CB-CB 3.6Å; C141-C373 WeakPolarHBondContact CB-SG 3.19Å; C141-C373 WeakPolarHBondContact SG-CA 3.43Å; C141-C373 WeakPolarHBondContact SG-CB 3.34Å; C141-C373 CovalentContact SG-SG 2.04Å; C141-C373 PolarHBondContact SG-SG 2.79Å; P257-C373 HydrophobicContact CB-CB 4.36Å; P257-C373 HydrophobicContact CG-CB 4.2Å; I371-C373 PolarHBondContact O-N 3.34Å; I371-C373 VanDerWaalsContact O-N 3.12Å
374	S	98.1	Very high	94.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.2	169.7	179.8	0	0	0	0	109.2	W254 L258 P272 V273 I371 P372	W254-S374 WeakPolarHBondContact O-CB 3.35Å; W254-S374 PolarHBondContact O-OG 3.26Å; L258-S374 WeakPolarHBondContact CD1-OG 3.3Å; L258-S374 WeakPolarHBondContact CD2-OG 3.49Å; L258-S374 WeakPolarHBondContact CG-OG 3.37Å; P272-S374 WeakPolarHBondContact CA-O 3.39Å; P272-S374 WeakPolarHBondContact CB-OG 3.41Å; V273-S374 PolarHBondContact N-O 2.81Å; I371-S374 PolarHBondContact O-N 3.09Å; I371-S374 VanDerWaalsContact O-O 3.07Å; P372-S374 VanDerWaalsContact C-N 3.34Å
375	R	98	Very high	94	Very high	14 Å²	14	36.7 Å²	36.7	5%	0.053	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.2	-177.6	-64.5	-163.4	169	-149.1	11.5	111.5	T136 R137 N251 V273 D275 S286 P372	T136-R375 PolarHBondContact O-NE 3.01Å; T136-R375 PolarHBondContact O-NH1 2.87Å; T136-R375 PolarHBondContact O-NH2 3.35Å; T136-R375 WeakPolarHBondContact OG1-CD 3.41Å; R137-R375 HydrophobicContact CG-CG 4.04Å; N251-R375 HydrophobicContact CB-CB 3.97Å; N251-R375 VanDerWaalsContact CB-O 3.25Å; N251-R375 WeakPolarHBondContact CB-O 3.25Å; N251-R375 PolarHBondContact N-O 3.38Å; V273-R375 HydrophobicContact CB-CG 4.24Å; V273-R375 WeakPolarHBondContact O-CA 3.48Å; D275-R375 IonicContact OD1-NH1 2.89Å; D275-R375 PolarHBondContact OD1-NH1 3.29Å; D275-R375 VanDerWaalsContact OD1-NH1 3.1Å; D275-R375 WeakPolarHBondContact OD2-CD 3.37Å; D275-R375 IonicContact OD2-NH1 2.8Å; S286-R375 PolarHBondContact OG-NH1 2.83Å; P372-R375 PolarHBondContact O-NE 3.15Å
376	V	98.7	Very high	93.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	123.5	176.6	-175.7	0	0	0	0	108.4	L244 C248 V250 W254 P272 V273 I274 D275 L329	L244-V376 HydrophobicContact CD2-CG1 4.3Å; C248-V376 HydrophobicContact CB-CG1 3.91Å; V250-V376 HydrophobicContact CB-CG2 4.38Å; V250-V376 HydrophobicContact CG1-CG1 3.91Å; V250-V376 HydrophobicContact CG1-CG2 3.99Å; W254-V376 HydrophobicContact CD2-CG2 4.31Å; W254-V376 HydrophobicContact CE3-CG2 3.57Å; W254-V376 HydrophobicContact CZ3-CG2 4.13Å; P272-V376 HydrophobicContact CB-CB 4.42Å; P272-V376 HydrophobicContact CB-CG2 3.84Å; P272-V376 HydrophobicContact CG-CB 4.27Å; P272-V376 HydrophobicContact CG-CG2 3.85Å; V273-V376 PolarHBondContact O-N 3.5Å; I274-V376 CarbonylContact C-O 3.57Å; I274-V376 WeakPolarHBondContact CA-O 3.31Å; D275-V376 PolarHBondContact N-O 3.48Å; L329-V376 HydrophobicContact CD2-CB 3.54Å; L329-V376 HydrophobicContact CD2-CG1 3.33Å; L329-V376 HydrophobicContact CD2-CG2 4.22Å
377	G	98.3	Very high	92.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	141.7	172.2	0	0	0	0	0	110.7	C248 E249 D275 I277 Y284	C248-G377 CarbonylContact C-O 3.06Å; C248-G377 WeakPolarHBondContact CA-O 3.46Å; E249-G377 PolarHBondContact N-O 2.91Å; E249-G377 PolarHBondContact O-N 2.96Å; D275-G377 WeakPolarHBondContact O-CA 3.37Å; I277-G377 VanDerWaalsContact CD1-C 3.47Å; Y284-G377 VanDerWaalsContact CE2-CA 3.42Å; Y284-G377 PolarHBondContact OH-N 3.48Å
378	H	98.1	Very high	91.2	Very high	25 Å²	25	35.9 Å²	35.9	12%	0.116	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.8	177.9	172.4	-82.6	0	0	0	110.1	D245 H247 I274 D275 I277 F380	D245-H378 IonicContact OD2-CD2 2.83Å; D245-H378 IonicContact OD2-NE2 3.72Å; H247-H378 AromaticContact CD2-CD2 3.88Å; H247-H378 AromaticContact CD2-CE1 3.87Å; H247-H378 AromaticContact CD2-NE2 3.42Å; H247-H378 PolarHBondContact CD2-NE2 3.42Å; H247-H378 AromaticContact NE2-CE1 3.8Å; H247-H378 AromaticContact NE2-NE2 3.27Å; H247-H378 PolarHBondContact NE2-NE2 3.43Å; I274-H378 HydrophobicContact CG2-CB 3.57Å; D275-H378 PolarHBondContact O-N 2.83Å; I277-H378 PolarHBondContact N-O 2.97Å; H378-F380 HydrophobicContact CB-CE2 4.1Å; H378-F380 HydrophobicContact CB-CZ 4.41Å; H378-F380 AromaticContact ND1-CD1 3.86Å; H378-F380 AromaticContact ND1-CD2 3.91Å; H378-F380 AromaticContact ND1-CE1 3.85Å; H378-F380 AromaticContact ND1-CE2 3.92Å; H378-F380 AromaticContact ND1-CG 3.9Å; H378-F380 AromaticContact ND1-CZ 3.9Å; H378-F380 WeakPolarHBondContact O-CD2 2.89Å; H378-F380 PolarHBondContact O-N 3.32Å; H378-F380 VanDerWaalsContact O-N 3.1Å
379	I	97.1	Very high	90.1	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	103.8	176.6	-57.7	-179	0	0	0	110	F119 A166 H247 I277 A279 L282 R381	F119-I379 HydrophobicContact CB-CG2 4.07Å; F119-I379 HydrophobicContact CD1-CG2 4.47Å; F119-I379 HydrophobicContact CG-CG2 4.21Å; A166-I379 HydrophobicContact CB-CD1 4.45Å; H247-I379 HydrophobicContact CB-CB 4.17Å; H247-I379 HydrophobicContact CB-CD1 3.97Å; H247-I379 HydrophobicContact CB-CG1 4.16Å; H247-I379 PolarHBondContact O-N 2.9Å; I277-I379 HydrophobicContact CB-CG1 3.97Å; I277-I379 HydrophobicContact CD1-CG1 4.37Å; I277-I379 HydrophobicContact CG2-CG1 3.81Å; I277-I379 WeakPolarHBondContact O-CA 3.41Å; A279-I379 HydrophobicContact CB-CG2 4.23Å; L282-I379 HydrophobicContact CD1-CD1 3.66Å; L282-I379 HydrophobicContact CD1-CG1 4.24Å; I379-R381 HydrophobicContact CG2-CG 4.4Å; I379-R381 PolarHBondContact O-N 3.24Å; I379-R381 VanDerWaalsContact O-N 3.13Å
380	F	91	Very high	89.2	Confident	85 Å²	85	46.1 Å²	46.1	37%	0.373	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	95.1	178.7	-74.8	-82.5	0	0	0	111.5	I274 I276 I277 A279 H378	I274-F380 HydrophobicContact CG2-CE2 4.01Å; I274-F380 HydrophobicContact CG2-CZ 3.7Å; I276-F380 HydrophobicContact CB-CD2 4.13Å; I276-F380 HydrophobicContact CB-CE2 4.35Å; I276-F380 HydrophobicContact CG1-CD2 3.87Å; I276-F380 HydrophobicContact CG1-CE2 3.82Å; I276-F380 HydrophobicContact CG2-CD2 4.04Å; I277-F380 PolarHBondContact O-N 3.31Å; I277-F380 VanDerWaalsContact O-N 3.17Å; A279-F380 WeakPolarHBondContact CB-O 3.5Å; H378-F380 HydrophobicContact CB-CE2 4.1Å; H378-F380 HydrophobicContact CB-CZ 4.41Å; H378-F380 AromaticContact ND1-CD1 3.86Å; H378-F380 AromaticContact ND1-CD2 3.91Å; H378-F380 AromaticContact ND1-CE1 3.85Å; H378-F380 AromaticContact ND1-CE2 3.92Å; H378-F380 AromaticContact ND1-CG 3.9Å; H378-F380 AromaticContact ND1-CZ 3.9Å; H378-F380 WeakPolarHBondContact O-CD2 2.89Å; H378-F380 PolarHBondContact O-N 3.32Å; H378-F380 VanDerWaalsContact O-N 3.1Å
381	R	89.8	Confident	88.4	Confident	49 Å²	49	48.9 Å²	48.9	19%	0.185	26%	0.255	C	S	.	.			trans	-70.7	145.2	177.5	-60.7	169.1	-175.6	-179	-4.5	111.3	H117 A118 E162 H247 I379 R383	H117-R381 VanDerWaalsContact O-CD 3.29Å; H117-R381 WeakPolarHBondContact O-CD 3.41Å; H117-R381 PolarHBondContact O-NE 2.95Å; A118-R381 HydrophobicContact CB-CB 4.21Å; A118-R381 HydrophobicContact CB-CG 4.47Å; E162-R381 IonicContact OE1-CZ 2.73Å; E162-R381 IonicContact OE1-NH1 2.77Å; E162-R381 IonicContact OE1-NH2 3.86Å; E162-R381 PolarHBondContact OE1-NH2 3.23Å; E162-R381 IonicContact OE2-CZ 3.1Å; E162-R381 IonicContact OE2-NH1 3.76Å; E162-R381 IonicContact OE2-NH2 2.7Å; E162-R381 PolarHBondContact OE2-NH2 3.08Å; H247-R381 PolarHBondContact ND1-NH2 2.88Å; H247-R381 VanDerWaalsContact ND1-NH2 3.19Å; I379-R381 HydrophobicContact CG2-CG 4.4Å; I379-R381 PolarHBondContact O-N 3.24Å; I379-R381 VanDerWaalsContact O-N 3.13Å; R381-R383 VanDerWaalsContact C-N 3.29Å; R381-R383 WeakPolarHBondContact CB-O 3.43Å; R381-R383 PolarHBondContact O-N 3.17Å
382	K	78.9	Confident	87.7	Confident	110 Å²	110	53.1 Å²	53.1	48%	0.478	27%	0.274	S	S	.	.	S	Bend	trans	-72.4	-23.8	177.2	-66.1	176.4	-176	166.6	0	113.5	D280 E541	D280-K382 IonicContact OD1-NZ 2.73Å; D280-K382 PolarHBondContact OD1-NZ 3.27Å; D280-K382 WeakPolarHBondContact OD2-CE 3.42Å; D280-K382 IonicContact OD2-NZ 3.22Å; D280-K382 PolarHBondContact OD2-NZ 3.46Å; K382-E541 WeakPolarHBondContact CE-OE2 3.49Å; K382-E541 IonicContact NZ-OE1 3.12Å; K382-E541 IonicContact NZ-OE2 2.65Å; K382-E541 PolarHBondContact NZ-OE2 3.38Å
383	R	86.3	Confident	87.4	Confident	112 Å²	112	57.1 Å²	57.1	42%	0.423	30%	0.296	S	S	.	.	S	Bend	trans	-144.2	161.7	176.7	66.4	175.5	-176.8	89.8	0	109.7	Y114 Q115 A118 R381	Y114-R383 PolarHBondContact O-NH2 3.35Å; Q115-R383 VanDerWaalsContact C-NH2 3.32Å; Q115-R383 PolarHBondContact O-NH2 3.46Å; A118-R383 HydrophobicContact CB-CG 3.59Å; A118-R383 WeakPolarHBondContact CB-O 3.48Å; R381-R383 VanDerWaalsContact C-N 3.29Å; R381-R383 WeakPolarHBondContact CB-O 3.43Å; R381-R383 PolarHBondContact O-N 3.17Å
384	R	83.4	Confident	87.1	Confident	145 Å²	145	57.9 Å²	57.9	55%	0.547	30%	0.3	S	S	.	.			trans	-73.9	131	168	-64.8	159.9	-168.6	-97.4	-5.9	108.7	W350 Y386	W350-R384 VanDerWaalsContact CZ3-CZ 3.47Å; R384-Y386 VanDerWaalsContact C-N 3.35Å
385	P	80.7	Confident	86.8	Confident	29 Å²	29	59.3 Å²	59.3	19%	0.188	31%	0.307	C	S	.	.	S	Bend	trans	-73.7	-28.8	177.8	25.4	-30.3	0	0	0	112.6	K116	K116-P385 WeakPolarHBondContact O-CB 3.42Å
386	Y	79.3	Confident	86.6	Confident	57 Å²	57	59.2 Å²	59.2	22%	0.224	31%	0.309	C	S	.	.			trans	-131	142.3	-175.8	-42.1	-63.7	0	0	0	111.6	K116 H117 Y160 N161 R384	K116-Y386 PolarHBondContact O-OH 3.1Å; H117-Y386 PolarHBondContact ND1-OH 3.45Å; Y160-Y386 AromaticContact CD1-CD2 3.63Å; Y160-Y386 HydrophobicContact CD1-CD2 3.63Å; Y160-Y386 HydrophobicContact CD1-CE2 4.36Å; Y160-Y386 AromaticContact CD1-CG 3.79Å; Y160-Y386 HydrophobicContact CD1-CG 3.79Å; Y160-Y386 HydrophobicContact CE1-CD1 4.1Å; Y160-Y386 AromaticContact CE1-CD2 3.98Å; Y160-Y386 HydrophobicContact CE1-CD2 3.98Å; Y160-Y386 AromaticContact CE1-CG 3.64Å; Y160-Y386 HydrophobicContact CE1-CG 3.64Å; Y160-Y386 VanDerWaalsContact O-CE2 3.29Å; Y160-Y386 WeakPolarHBondContact O-CE2 3.4Å; N161-Y386 HydrophobicContact CB-CD1 4.42Å; N161-Y386 HydrophobicContact CB-CD2 4.31Å; N161-Y386 HydrophobicContact CB-CE1 3.76Å; N161-Y386 HydrophobicContact CB-CE2 3.6Å; N161-Y386 PolarHBondContact O-OH 2.7Å; R384-Y386 VanDerWaalsContact C-N 3.35Å
387	G	76.8	Confident	86.4	Confident	51 Å²	51	61.2 Å²	61.2	53%	0.526	32%	0.318	S	S	.	.			trans	-104.2	-169.3	174.4	0	0	0	0	0	112.2	R222	R222-G387 VanDerWaalsContact CZ-O 3.29Å; R222-G387 PolarHBondContact NH1-O 2.67Å; R222-G387 PolarHBondContact NH2-O 3.08Å
388	S	78.1	Confident	86.4	Confident	22 Å²	22	61.2 Å²	61.2	15%	0.154	32%	0.318	C	S	.	.			trans	-68.5	146.2	167.4	50.1	0	0	0	0	110.3	E390 G391 Q392	S388-E390 PolarHBondContact O-N 3.24Å; S388-G391 PolarHBondContact O-N 3.41Å; S388-G391 VanDerWaalsContact O-N 3.12Å; S388-G391 VanDerWaalsContact OG-C 3.23Å; S388-G391 VanDerWaalsContact OG-CA 3.31Å; S388-G391 WeakPolarHBondContact OG-CA 3.5Å; S388-G391 PolarHBondContact OG-N 3.1Å; S388-Q392 PolarHBondContact OG-N 3.37Å; S388-Q392 PolarHBondContact OG-O 3.35Å
389	P	76.4	Confident	86.3	Confident	94 Å²	94	60.1 Å²	60.1	61%	0.61	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-35.9	-174.7	-22.5	32.8	0	0	0	113.2
390	E	78.5	Confident	86.3	Confident	153 Å²	153	60.1 Å²	60.1	72%	0.715	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	10.5	-177.3	-63.2	-178.9	-176.4	0	0	113.1	S388 Q392	S388-E390 PolarHBondContact O-N 3.24Å; E390-Q392 HydrophobicContact CB-CG 4.03Å; E390-Q392 PolarHBondContact O-N 3.41Å; E390-Q392 PolarHBondContact OE2-NE2 2.82Å
391	G	79.2	Confident	86.6	Confident	66 Å²	66	56.6 Å²	56.6	68%	0.68	30%	0.297	S	S	*	.			trans	68.4	15.2	-178.3	0	0	0	0	0	114.8	S388	S388-G391 PolarHBondContact O-N 3.41Å; S388-G391 VanDerWaalsContact O-N 3.12Å; S388-G391 VanDerWaalsContact OG-C 3.23Å; S388-G391 VanDerWaalsContact OG-CA 3.31Å; S388-G391 WeakPolarHBondContact OG-CA 3.5Å; S388-G391 PolarHBondContact OG-N 3.1Å
392	Q	83.8	Confident	87	Confident	97 Å²	97	54.3 Å²	54.3	45%	0.453	29%	0.289	S	S	.	.			trans	-60.8	143.5	175.1	-61.8	172.5	12.6	0	0	111.8	S388 E390 T394	S388-Q392 PolarHBondContact OG-N 3.37Å; S388-Q392 PolarHBondContact OG-O 3.35Å; E390-Q392 HydrophobicContact CB-CG 4.03Å; E390-Q392 PolarHBondContact O-N 3.41Å; E390-Q392 PolarHBondContact OE2-NE2 2.82Å; Q392-T394 VanDerWaalsContact C-N 3.31Å; Q392-T394 HydrophobicContact CB-CG2 4.48Å; Q392-T394 PolarHBondContact O-N 3.04Å
393	D	87.9	Confident	87.9	Confident	88 Å²	88	49.1 Å²	49.1	47%	0.471	27%	0.266	S	S	.	.			trans	-80.3	77.3	174.4	-175.2	-2	0	0	0	110.7	M395 T396 H397	D393-M395 VanDerWaalsContact C-N 3.3Å; D393-M395 PolarHBondContact O-N 3.34Å; D393-T396 VanDerWaalsContact CG-CB 3.43Å; D393-T396 PolarHBondContact O-N 3.05Å; D393-T396 WeakPolarHBondContact OD1-CB 3.19Å; D393-T396 PolarHBondContact OD1-N 3.37Å; D393-T396 VanDerWaalsContact OD1-N 3.12Å; D393-T396 PolarHBondContact OD1-OG1 3.46Å; D393-T396 WeakPolarHBondContact OD2-CB 3.48Å; D393-T396 PolarHBondContact OD2-OG1 3.28Å; D393-H397 PolarHBondContact O-N 3.2Å
394	T	91.4	Very high	88.4	Confident	17 Å²	17	45.9 Å²	45.9	10%	0.104	26%	0.255	C	S	.	.	H	α-helix	trans	-64.1	-35.3	-176.7	62.5	0	0	0	0	112.4	D348 I349 W350 Q392 T396 H397 N398	D348-T394 HydrophobicContact CB-CG2 3.99Å; D348-T394 WeakPolarHBondContact O-CB 3.4Å; I349-T394 HydrophobicContact CB-CG2 4.11Å; I349-T394 HydrophobicContact CG1-CG2 4.14Å; W350-T394 PolarHBondContact O-OG1 3.16Å; Q392-T394 VanDerWaalsContact C-N 3.31Å; Q392-T394 HydrophobicContact CB-CG2 4.48Å; Q392-T394 PolarHBondContact O-N 3.04Å; T394-T396 PolarHBondContact O-N 3.03Å; T394-H397 PolarHBondContact O-N 3.24Å; T394-N398 WeakPolarHBondContact O-CB 3.11Å; T394-N398 PolarHBondContact O-N 2.96Å; T394-N398 PolarHBondContact O-ND2 3.41Å; T394-N398 PolarHBondContact O-OD1 2.95Å
395	M	91.3	Very high	89.2	Confident	29 Å²	29	39.1 Å²	39.1	14%	0.143	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-45.8	177.8	-178.3	68.4	-169.1	0	0	111.1	L298 W350 G351 D393 S399	L298-M395 WeakPolarHBondContact O-CE 3.34Å; W350-M395 HydrophobicContact CE3-SD 4.48Å; W350-M395 HydrophobicContact CH2-SD 4.38Å; W350-M395 HydrophobicContact CZ3-SD 3.76Å; G351-M395 WeakPolarHBondContact CA-SD 3.41Å; D393-M395 VanDerWaalsContact C-N 3.3Å; D393-M395 PolarHBondContact O-N 3.34Å; M395-S399 WeakPolarHBondContact O-CB 3.19Å; M395-S399 PolarHBondContact O-N 2.82Å; M395-S399 PolarHBondContact O-OG 3.29Å
396	T	93.5	Very high	90	Very high	13 Å²	13	37.8 Å²	37.8	8%	0.08	22%	0.222	C	C	.	.	H	α-helix	trans	-66.2	-45.9	178.3	-68.3	0	0	0	0	111.7	D393 T394 N398 S399 L400 L421 K424	D393-T396 VanDerWaalsContact CG-CB 3.43Å; D393-T396 PolarHBondContact O-N 3.05Å; D393-T396 WeakPolarHBondContact OD1-CB 3.19Å; D393-T396 PolarHBondContact OD1-N 3.37Å; D393-T396 VanDerWaalsContact OD1-N 3.12Å; D393-T396 PolarHBondContact OD1-OG1 3.46Å; D393-T396 WeakPolarHBondContact OD2-CB 3.48Å; D393-T396 PolarHBondContact OD2-OG1 3.28Å; T394-T396 PolarHBondContact O-N 3.03Å; T396-N398 PolarHBondContact O-N 2.9Å; T396-S399 PolarHBondContact O-N 2.93Å; T396-L400 HydrophobicContact CG2-CD1 4.06Å; T396-L400 WeakPolarHBondContact O-CG 3.42Å; T396-L400 PolarHBondContact O-N 2.8Å; T396-L421 HydrophobicContact CG2-CD1 4.29Å; T396-L421 HydrophobicContact CG2-CD2 3.45Å; T396-L421 VanDerWaalsContact CG2-CD2 3.45Å; T396-L421 HydrophobicContact CG2-CG 4.49Å; T396-K424 HydrophobicContact CG2-CD 4.27Å
397	H	95.3	Very high	90.9	Very high	42 Å²	42	35.1 Å²	35.1	19%	0.194	21%	0.211	C	C	.	.	H	α-helix	trans	-57	-50.7	177	173.7	74.1	0	0	0	111.5	G346 D348 D393 T394 S399 L400 R401 Y426	G346-H397 PolarHBondContact O-NE2 2.82Å; G346-H397 VanDerWaalsContact O-NE2 3.12Å; D348-H397 IonicContact OD2-CD2 3.93Å; D348-H397 PolarHBondContact OD2-CD2 3.31Å; D348-H397 VanDerWaalsContact OD2-CD2 3.25Å; D348-H397 IonicContact OD2-NE2 3.93Å; D348-H397 PolarHBondContact OD2-NE2 3.49Å; D393-H397 PolarHBondContact O-N 3.2Å; T394-H397 PolarHBondContact O-N 3.24Å; H397-S399 PolarHBondContact O-N 3.15Å; H397-L400 WeakPolarHBondContact O-CB 3.45Å; H397-L400 PolarHBondContact O-N 3.22Å; H397-R401 WeakPolarHBondContact O-CG 3.39Å; H397-R401 PolarHBondContact O-N 3.13Å; H397-R401 VanDerWaalsContact O-N 3.14Å; H397-Y426 PolarHBondContact CE1-O 2.83Å
398	N	96.9	Very high	91.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.3	-41.5	-179.4	-61.1	-9	0	0	0	111.9	M347 D348 W350 G351 T394 T396 L400 R401 L402	M347-N398 VanDerWaalsContact CA-OD1 3.23Å; M347-N398 WeakPolarHBondContact CA-OD1 3.13Å; M347-N398 HydrophobicContact CB-CB 4.27Å; M347-N398 WeakPolarHBondContact CB-OD1 3.16Å; M347-N398 HydrophobicContact CE-CB 4.35Å; M347-N398 WeakPolarHBondContact CE-O 3.44Å; M347-N398 HydrophobicContact CG-CB 3.95Å; M347-N398 HydrophobicContact SD-CB 4.14Å; D348-N398 PolarHBondContact N-OD1 2.78Å; D348-N398 PolarHBondContact O-ND2 2.74Å; W350-N398 PolarHBondContact O-ND2 2.85Å; G351-N398 WeakPolarHBondContact O-CB 3.3Å; G351-N398 PolarHBondContact O-ND2 2.95Å; T394-N398 WeakPolarHBondContact O-CB 3.11Å; T394-N398 PolarHBondContact O-N 2.96Å; T394-N398 PolarHBondContact O-ND2 3.41Å; T394-N398 PolarHBondContact O-OD1 2.95Å; T396-N398 PolarHBondContact O-N 2.9Å; N398-L400 VanDerWaalsContact C-N 3.29Å; N398-L400 PolarHBondContact O-N 3.16Å; N398-R401 WeakPolarHBondContact O-CB 3.45Å; N398-R401 PolarHBondContact O-N 3.33Å; N398-L402 PolarHBondContact O-N 3.43Å
399	S	96.6	Very high	92.7	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-34.6	177.5	-61	0	0	0	0	112.2	M395 T396 H397 A403 Y414	M395-S399 WeakPolarHBondContact O-CB 3.19Å; M395-S399 PolarHBondContact O-N 2.82Å; M395-S399 PolarHBondContact O-OG 3.29Å; T396-S399 PolarHBondContact O-N 2.93Å; H397-S399 PolarHBondContact O-N 3.15Å; S399-A403 VanDerWaalsContact O-CB 3.24Å; S399-A403 WeakPolarHBondContact O-CB 3.43Å; S399-A403 PolarHBondContact O-N 3.31Å; S399-Y414 WeakPolarHBondContact CB-OH 3.38Å
400	L	97.2	Very high	93.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-65.7	-44.8	173.3	-77.7	166.5	0	0	0	112	T396 H397 N398 L402 A403 H404 Y414 F415 L421 K424 Y426	T396-L400 HydrophobicContact CG2-CD1 4.06Å; T396-L400 WeakPolarHBondContact O-CG 3.42Å; T396-L400 PolarHBondContact O-N 2.8Å; H397-L400 WeakPolarHBondContact O-CB 3.45Å; H397-L400 PolarHBondContact O-N 3.22Å; N398-L400 VanDerWaalsContact C-N 3.29Å; N398-L400 PolarHBondContact O-N 3.16Å; L400-L402 VanDerWaalsContact C-N 3.32Å; L400-L402 PolarHBondContact O-N 2.99Å; L400-A403 PolarHBondContact O-N 3.4Å; L400-A403 VanDerWaalsContact O-N 3.13Å; L400-H404 PolarHBondContact O-CD2 3.11Å; L400-H404 VanDerWaalsContact O-CD2 3.23Å; L400-H404 PolarHBondContact O-N 3.28Å; L400-Y414 HydrophobicContact CD2-CE1 4.16Å; L400-F415 HydrophobicContact CD2-CE1 3.68Å; L400-F415 HydrophobicContact CD2-CZ 4.27Å; L400-L421 HydrophobicContact CD2-CB 4.12Å; L400-K424 HydrophobicContact CD1-CB 3.83Å; L400-Y426 HydrophobicContact CB-CD1 4.3Å; L400-Y426 HydrophobicContact CB-CG 4.25Å
401	R	98.1	Very high	94.3	Very high	12 Å²	12	32.5 Å²	32.5	5%	0.045	17%	0.174	C	C	.	.	H	α-helix	trans	-56.1	-49.3	174.9	-65.2	-179.7	65.6	79.2	-1.5	111	D344 G346 M347 H397 N398 A403 V405 Y426 N428 I429	D344-R401 IonicContact OD1-CZ 3.07Å; D344-R401 IonicContact OD1-NE 3.9Å; D344-R401 IonicContact OD1-NH2 3.77Å; D344-R401 PolarHBondContact OD1-NH2 3.35Å; D344-R401 IonicContact OD2-CZ 2.8Å; D344-R401 IonicContact OD2-NE 3.92Å; D344-R401 PolarHBondContact OD2-NE 2.98Å; D344-R401 IonicContact OD2-NH2 3.89Å; D344-R401 PolarHBondContact OD2-NH2 2.72Å; D344-R401 VanDerWaalsContact OD2-NH2 3.17Å; G346-R401 WeakPolarHBondContact O-CD 3.25Å; G346-R401 PolarHBondContact O-NE 3.43Å; M347-R401 HydrophobicContact CE-CB 4.5Å; H397-R401 WeakPolarHBondContact O-CG 3.39Å; H397-R401 PolarHBondContact O-N 3.13Å; H397-R401 VanDerWaalsContact O-N 3.14Å; N398-R401 WeakPolarHBondContact O-CB 3.45Å; N398-R401 PolarHBondContact O-N 3.33Å; R401-A403 PolarHBondContact O-N 2.96Å; R401-V405 VanDerWaalsContact O-CG2 3.25Å; R401-V405 WeakPolarHBondContact O-CG2 3.14Å; R401-V405 PolarHBondContact O-N 3.35Å; R401-Y426 WeakPolarHBondContact CG-O 3.36Å; R401-Y426 PolarHBondContact NH1-O 3.17Å; R401-N428 PolarHBondContact NH1-O 2.62Å; R401-N428 PolarHBondContact NH2-O 3.1Å; R401-I429 HydrophobicContact CB-CG2 4.29Å; R401-I429 HydrophobicContact CG-CG2 4.21Å
402	L	97.8	Very high	94.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-56.4	-48.3	173.5	164.2	142.1	0	0	0	112.1	L298 M347 L355 E356 F359 N398 L400 H404 V405 W406 L407	L298-L402 HydrophobicContact CD1-CD2 3.58Å; L298-L402 HydrophobicContact CD2-CD2 3.89Å; L298-L402 HydrophobicContact CG-CD2 4.25Å; M347-L402 HydrophobicContact CE-CB 4.23Å; L355-L402 HydrophobicContact CB-CD1 3.65Å; E356-L402 HydrophobicContact CB-CB 4.41Å; E356-L402 HydrophobicContact CB-CD1 3.67Å; E356-L402 HydrophobicContact CG-CB 4.38Å; E356-L402 HydrophobicContact CG-CD1 4.32Å; F359-L402 HydrophobicContact CD2-CD1 3.91Å; F359-L402 HydrophobicContact CD2-CG 4.3Å; F359-L402 HydrophobicContact CE2-CD1 3.88Å; F359-L402 HydrophobicContact CE2-CD2 4.07Å; F359-L402 HydrophobicContact CE2-CG 4.26Å; N398-L402 PolarHBondContact O-N 3.43Å; L400-L402 VanDerWaalsContact C-N 3.32Å; L400-L402 PolarHBondContact O-N 2.99Å; L402-H404 VanDerWaalsContact C-N 3.34Å; L402-H404 PolarHBondContact O-N 3.34Å; L402-V405 PolarHBondContact O-N 2.9Å; L402-W406 WeakPolarHBondContact O-CB 3.38Å; L402-W406 PolarHBondContact O-N 3.25Å; L402-L407 HydrophobicContact CD2-CD1 4.27Å; L402-L407 HydrophobicContact CD2-CG 4.38Å
403	A	97.6	Very high	95.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-43.4	-173.8	0	0	0	0	0	111.5	L298 S399 L400 R401 L407 K411 Y414	L298-A403 HydrophobicContact CD1-CB 4.19Å; S399-A403 VanDerWaalsContact O-CB 3.24Å; S399-A403 WeakPolarHBondContact O-CB 3.43Å; S399-A403 PolarHBondContact O-N 3.31Å; L400-A403 PolarHBondContact O-N 3.4Å; L400-A403 VanDerWaalsContact O-N 3.13Å; R401-A403 PolarHBondContact O-N 2.96Å; A403-L407 HydrophobicContact CB-CD1 3.75Å; A403-L407 HydrophobicContact CB-CG 4.44Å; A403-L407 WeakPolarHBondContact O-CB 3.36Å; A403-L407 PolarHBondContact O-N 3.42Å; A403-K411 HydrophobicContact CB-CB 4.33Å; A403-Y414 HydrophobicContact CB-CD1 4.1Å
404	H	97.7	Very high	95.3	Very high	44 Å²	44	28.9 Å²	28.9	20%	0.204	14%	0.136	C	C	.	.	H	α-helix	trans	-70.4	-29.9	179.7	-81.2	-83.3	0	0	0	113.4	L400 L402 F415 Y426 I429	L400-H404 PolarHBondContact O-CD2 3.11Å; L400-H404 VanDerWaalsContact O-CD2 3.23Å; L400-H404 PolarHBondContact O-N 3.28Å; L402-H404 VanDerWaalsContact C-N 3.34Å; L402-H404 PolarHBondContact O-N 3.34Å; H404-F415 AromaticContact NE2-CZ 3.66Å; H404-Y426 HydrophobicContact CB-CE2 4.36Å; H404-Y426 AromaticContact CD2-CD1 3.69Å; H404-Y426 AromaticContact CD2-CE1 3.46Å; H404-Y426 VanDerWaalsContact CD2-CE1 3.46Å; H404-Y426 WeakPolarHBondContact CD2-CE1 3.3Å; H404-Y426 AromaticContact CD2-CZ 3.67Å; H404-Y426 AromaticContact CE1-CE1 3.68Å; H404-Y426 AromaticContact CE1-CZ 3.76Å; H404-Y426 AromaticContact CG-CZ 3.78Å; H404-Y426 AromaticContact ND1-CZ 3.82Å; H404-Y426 AromaticContact NE2-CD1 3.76Å; H404-Y426 AromaticContact NE2-CE1 3.23Å; H404-Y426 WeakPolarHBondContact NE2-CE1 3.4Å; H404-Y426 AromaticContact NE2-CZ 3.7Å; H404-I429 HydrophobicContact CB-CD1 3.59Å
405	V	98.3	Very high	95.4	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.024	13%	0.132	C	C	.	.	H	α-helix	trans	-88	-39	-178.4	178.8	0	0	0	0	112.5	R401 L402 I429 R432 V433 R436	R401-V405 VanDerWaalsContact O-CG2 3.25Å; R401-V405 WeakPolarHBondContact O-CG2 3.14Å; R401-V405 PolarHBondContact O-N 3.35Å; L402-V405 PolarHBondContact O-N 2.9Å; V405-I429 HydrophobicContact CG2-CB 3.92Å; V405-I429 HydrophobicContact CG2-CD1 3.88Å; V405-I429 HydrophobicContact CG2-CG1 4.42Å; V405-I429 HydrophobicContact CG2-CG2 4.27Å; V405-R432 HydrophobicContact CG1-CB 3.99Å; V405-R432 HydrophobicContact CG2-CB 3.81Å; V405-V433 HydrophobicContact CG2-CG2 4.24Å; V405-R436 WeakPolarHBondContact O-CD 3.41Å; V405-R436 PolarHBondContact O-NH1 3.19Å
406	W	98.3	Very high	95.3	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-117.3	-20.7	-162.9	-63.8	106.6	0	0	0	115.8	E356 F359 R360 M363 L402 R436 C441 F444	E356-W406 PolarHBondContact OE1-NE1 3.33Å; F359-W406 HydrophobicContact CB-CB 4.39Å; F359-W406 HydrophobicContact CD2-CB 4.15Å; R360-W406 HydrophobicContact CB-CH2 3.71Å; R360-W406 HydrophobicContact CB-CZ2 3.7Å; R360-W406 HydrophobicContact CB-CZ3 4.19Å; R360-W406 HydrophobicContact CG-CH2 3.47Å; R360-W406 VanDerWaalsContact CG-CH2 3.47Å; R360-W406 HydrophobicContact CG-CZ2 3.72Å; R360-W406 HydrophobicContact CG-CZ3 4.24Å; M363-W406 HydrophobicContact CE-CE3 3.99Å; M363-W406 HydrophobicContact SD-CE3 4.02Å; L402-W406 WeakPolarHBondContact O-CB 3.38Å; L402-W406 PolarHBondContact O-N 3.25Å; W406-R436 HydrophobicContact CE3-CG 4.32Å; W406-R436 HydrophobicContact CH2-CB 3.98Å; W406-R436 HydrophobicContact CH2-CG 3.96Å; W406-R436 HydrophobicContact CZ3-CB 4.23Å; W406-R436 HydrophobicContact CZ3-CG 3.68Å; W406-C441 HydrophobicContact CZ3-CB 4.31Å; W406-F444 WeakPolarHBondContact O-CB 3.11Å; W406-F444 WeakPolarHBondContact O-CD2 3.29Å
407	L	97.4	Very high	95.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.			trans	-91.4	-2.8	-172.5	-61	-178.8	0	0	0	114.9	L298 F359 L402 A403 E409 Y410 K411 F444	L298-L407 HydrophobicContact CD1-CD1 4.14Å; L298-L407 HydrophobicContact CD2-CD1 3.9Å; F359-L407 HydrophobicContact CD2-CD2 4.33Å; F359-L407 HydrophobicContact CE2-CD2 3.78Å; F359-L407 HydrophobicContact CZ-CD2 4.47Å; L402-L407 HydrophobicContact CD2-CD1 4.27Å; L402-L407 HydrophobicContact CD2-CG 4.38Å; A403-L407 HydrophobicContact CB-CD1 3.75Å; A403-L407 HydrophobicContact CB-CG 4.44Å; A403-L407 WeakPolarHBondContact O-CB 3.36Å; A403-L407 PolarHBondContact O-N 3.42Å; L407-E409 PolarHBondContact O-N 3.33Å; L407-Y410 WeakPolarHBondContact O-CA 3.4Å; L407-Y410 VanDerWaalsContact O-CB 3.27Å; L407-Y410 WeakPolarHBondContact O-CB 3.48Å; L407-Y410 PolarHBondContact O-N 2.82Å; L407-K411 HydrophobicContact CB-CB 4Å; L407-K411 HydrophobicContact CD1-CB 4.4Å; L407-F444 HydrophobicContact CD2-CD1 4.07Å; L407-F444 HydrophobicContact CD2-CD2 3.83Å; L407-F444 HydrophobicContact CD2-CE1 3.63Å; L407-F444 HydrophobicContact CD2-CE2 3.38Å; L407-F444 HydrophobicContact CD2-CG 4.15Å; L407-F444 HydrophobicContact CD2-CZ 3.26Å
408	D	97.7	Very high	94.7	Very high	44 Å²	44	37.6 Å²	37.6	24%	0.235	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	49.6	-128	-178	-58	-34	0	0	0	112.2	Y410 K411 R436 S443 F444	D408-Y410 VanDerWaalsContact C-N 3.28Å; D408-Y410 PolarHBondContact O-N 2.99Å; D408-K411 WeakPolarHBondContact O-CD 3.49Å; D408-K411 WeakPolarHBondContact O-CE 3.41Å; D408-K411 VanDerWaalsContact O-CG 3.31Å; D408-K411 WeakPolarHBondContact O-CG 3.11Å; D408-R436 VanDerWaalsContact CG-NH2 3.33Å; D408-R436 IonicContact OD1-CZ 3.88Å; D408-R436 VanDerWaalsContact OD1-CZ 3.24Å; D408-R436 IonicContact OD1-NH1 3.57Å; D408-R436 PolarHBondContact OD1-NH1 2.87Å; D408-R436 IonicContact OD1-NH2 2.81Å; D408-R436 PolarHBondContact OD1-NH2 3.5Å; D408-R436 IonicContact OD2-CZ 3.17Å; D408-R436 IonicContact OD2-NH1 3.37Å; D408-R436 IonicContact OD2-NH2 2.78Å; D408-R436 PolarHBondContact OD2-NH2 3.44Å; D408-S443 WeakPolarHBondContact OD2-CA 3.29Å; D408-F444 HydrophobicContact CB-CB 4.37Å; D408-F444 PolarHBondContact OD2-N 3.42Å
409	E	95.3	Very high	94.4	Very high	119 Å²	119	41.7 Å²	41.7	56%	0.556	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-70.3	-19.7	174.3	65.4	-86.8	-159.7	0	0	113.8	L407 K411 E412	L407-E409 PolarHBondContact O-N 3.33Å; E409-K411 PolarHBondContact O-N 2.99Å; E409-E412 PolarHBondContact O-N 2.96Å
410	Y	94.8	Very high	94.2	Very high	46 Å²	46	45 Å²	45	18%	0.18	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-75.2	-10.7	-177	-63.6	-97.2	0	0	0	113.4	W296 L407 D408 E412 Q413 F444 K445 L448	W296-Y410 AromaticContact CH2-CD1 3.92Å; W296-Y410 HydrophobicContact CH2-CD1 3.92Å; W296-Y410 HydrophobicContact CH2-CG 4.48Å; L407-Y410 WeakPolarHBondContact O-CA 3.4Å; L407-Y410 VanDerWaalsContact O-CB 3.27Å; L407-Y410 WeakPolarHBondContact O-CB 3.48Å; L407-Y410 PolarHBondContact O-N 2.82Å; D408-Y410 VanDerWaalsContact C-N 3.28Å; D408-Y410 PolarHBondContact O-N 2.99Å; Y410-E412 PolarHBondContact O-N 3.4Å; Y410-E412 VanDerWaalsContact O-N 3.16Å; Y410-Q413 WeakPolarHBondContact O-CB 3.04Å; Y410-Q413 PolarHBondContact O-N 2.79Å; Y410-F444 HydrophobicContact CD2-CB 4.3Å; Y410-F444 AromaticContact CD2-CD1 3.77Å; Y410-F444 HydrophobicContact CD2-CD1 3.77Å; Y410-F444 AromaticContact CG-CD1 3.77Å; Y410-F444 HydrophobicContact CG-CD1 3.77Å; Y410-F444 HydrophobicContact CG-CE1 4.34Å; Y410-K445 HydrophobicContact CE2-CB 3.85Å; Y410-L448 HydrophobicContact CD1-CD1 3.7Å; Y410-L448 HydrophobicContact CE1-CD1 3.54Å; Y410-L448 HydrophobicContact CG-CD1 4.24Å
411	K	94.6	Very high	94	Very high	57 Å²	57	44.9 Å²	44.9	25%	0.248	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-24.5	170.1	69.1	-169.7	174	-173.9	0	112.8	A403 L407 D408 E409 Q413 Y414 F415	A403-K411 HydrophobicContact CB-CB 4.33Å; L407-K411 HydrophobicContact CB-CB 4Å; L407-K411 HydrophobicContact CD1-CB 4.4Å; D408-K411 WeakPolarHBondContact O-CD 3.49Å; D408-K411 WeakPolarHBondContact O-CE 3.41Å; D408-K411 VanDerWaalsContact O-CG 3.31Å; D408-K411 WeakPolarHBondContact O-CG 3.11Å; E409-K411 PolarHBondContact O-N 2.99Å; K411-Q413 PolarHBondContact O-N 3.49Å; K411-Y414 WeakPolarHBondContact O-CB 3.48Å; K411-Y414 PolarHBondContact O-N 2.97Å; K411-F415 HydrophobicContact CB-CE2 4.09Å; K411-F415 HydrophobicContact CD-CE2 4.06Å; K411-F415 HydrophobicContact CG-CD2 4.3Å; K411-F415 HydrophobicContact CG-CE2 3.8Å; K411-F415 VanDerWaalsContact O-CD2 3.31Å; K411-F415 WeakPolarHBondContact O-CD2 3.32Å; K411-F415 WeakPolarHBondContact O-CG 3.36Å; K411-F415 PolarHBondContact O-N 2.77Å
412	E	91.9	Very high	93.7	Very high	88 Å²	88	49.9 Å²	49.9	41%	0.411	25%	0.246	S	C	.	.	H	α-helix	trans	-62	-25.5	173.8	-66.5	-56.5	136.2	0	0	112.6	E409 Y410 F415 S416 K422	E409-E412 PolarHBondContact O-N 2.96Å; Y410-E412 PolarHBondContact O-N 3.4Å; Y410-E412 VanDerWaalsContact O-N 3.16Å; E412-F415 PolarHBondContact O-N 3.23Å; E412-S416 WeakPolarHBondContact O-CB 3.31Å; E412-S416 PolarHBondContact O-N 2.87Å; E412-K422 WeakPolarHBondContact OE2-CE 3.32Å; E412-K422 IonicContact OE2-NZ 3.18Å; E412-K422 PolarHBondContact OE2-NZ 3.4Å
413	Q	89.2	Confident	93.4	Very high	76 Å²	76	56.1 Å²	56.1	36%	0.355	28%	0.284	S	S	.	.	H	α-helix	trans	-72	-32.8	172.9	-58.8	-58.5	-11.1	0	0	112.7	W296 Y410 K411 S416	W296-Q413 HydrophobicContact CD2-CB 3.78Å; W296-Q413 HydrophobicContact CD2-CG 4.39Å; W296-Q413 HydrophobicContact CE3-CB 3.48Å; W296-Q413 VanDerWaalsContact CE3-CB 3.48Å; W296-Q413 HydrophobicContact CE3-CG 4.2Å; W296-Q413 HydrophobicContact CG-CB 4.32Å; W296-Q413 HydrophobicContact CH2-CB 4.46Å; W296-Q413 HydrophobicContact CH2-CG 4.33Å; W296-Q413 HydrophobicContact CZ3-CB 3.86Å; W296-Q413 HydrophobicContact CZ3-CG 4.17Å; Y410-Q413 WeakPolarHBondContact O-CB 3.04Å; Y410-Q413 PolarHBondContact O-N 2.79Å; K411-Q413 PolarHBondContact O-N 3.49Å; Q413-S416 PolarHBondContact O-OG 3.45Å
414	Y	91.6	Very high	93.2	Very high	10 Å²	10	60 Å²	60	4%	0.039	30%	0.301	C	S	.	.	H	α-helix	trans	-68.4	-43.5	171.5	176.7	-124.5	0	0	0	110.5	W296 L298 S399 L400 A403 K411 S416 L417 R418 L421	W296-Y414 WeakPolarHBondContact O-CA 3.23Å; W296-Y414 WeakPolarHBondContact O-CD2 3.47Å; L298-Y414 HydrophobicContact CB-CD2 4.47Å; L298-Y414 HydrophobicContact CB-CE2 4.27Å; L298-Y414 HydrophobicContact CD1-CD1 3.82Å; L298-Y414 HydrophobicContact CD1-CD2 3.68Å; L298-Y414 HydrophobicContact CD1-CE1 3.91Å; L298-Y414 HydrophobicContact CD1-CE2 3.76Å; L298-Y414 HydrophobicContact CD1-CG 3.69Å; L298-Y414 HydrophobicContact CG-CD2 3.73Å; L298-Y414 HydrophobicContact CG-CE2 3.96Å; L298-Y414 HydrophobicContact CG-CG 4.12Å; S399-Y414 WeakPolarHBondContact CB-OH 3.38Å; L400-Y414 HydrophobicContact CD2-CE1 4.16Å; A403-Y414 HydrophobicContact CB-CD1 4.1Å; K411-Y414 WeakPolarHBondContact O-CB 3.48Å; K411-Y414 PolarHBondContact O-N 2.97Å; Y414-S416 PolarHBondContact O-N 3.46Å; Y414-L417 PolarHBondContact O-N 3.2Å; Y414-R418 PolarHBondContact O-N 3.24Å; Y414-L421 HydrophobicContact CE1-CD1 3.7Å; Y414-L421 HydrophobicContact CE2-CD1 4.22Å; Y414-L421 VanDerWaalsContact CZ-CD1 3.49Å; Y414-L421 VanDerWaalsContact OH-CD1 3.32Å; Y414-L421 WeakPolarHBondContact OH-CD1 3.44Å
415	F	91.9	Very high	93	Very high	8 Å²	8	62.8 Å²	62.8	4%	0.035	33%	0.325	C	S	.	.	H	α-helix	trans	-71.6	-24.6	178.7	-59.4	-40.6	0	0	0	114.4	L400 H404 K411 E412 L417 R418 P419 L421 K422	L400-F415 HydrophobicContact CD2-CE1 3.68Å; L400-F415 HydrophobicContact CD2-CZ 4.27Å; H404-F415 AromaticContact NE2-CZ 3.66Å; K411-F415 HydrophobicContact CB-CE2 4.09Å; K411-F415 HydrophobicContact CD-CE2 4.06Å; K411-F415 HydrophobicContact CG-CD2 4.3Å; K411-F415 HydrophobicContact CG-CE2 3.8Å; K411-F415 VanDerWaalsContact O-CD2 3.31Å; K411-F415 WeakPolarHBondContact O-CD2 3.32Å; K411-F415 WeakPolarHBondContact O-CG 3.36Å; K411-F415 PolarHBondContact O-N 2.77Å; E412-F415 PolarHBondContact O-N 3.23Å; F415-L417 VanDerWaalsContact C-N 3.3Å; F415-R418 CarbonylContact O-C 3.57Å; F415-R418 PolarHBondContact O-N 3.26Å; F415-P419 WeakPolarHBondContact O-CA 3.3Å; F415-P419 WeakPolarHBondContact O-CD 3.41Å; F415-P419 WeakPolarHBondContact O-CG 3.17Å; F415-L421 HydrophobicContact CD1-CB 4.25Å; F415-L421 HydrophobicContact CE1-CB 4.37Å; F415-K422 HydrophobicContact CB-CD 4.32Å; F415-K422 HydrophobicContact CB-CG 3.92Å; F415-K422 HydrophobicContact CD1-CG 4.1Å; F415-K422 HydrophobicContact CD2-CG 4.11Å; F415-K422 HydrophobicContact CG-CG 3.8Å
416	S	90.4	Very high	92.8	Very high	73 Å²	73	65.6 Å²	65.6	51%	0.51	34%	0.336	S	S	.	.	H	α-helix	trans	-67.8	-33.4	175.4	70.5	0	0	0	0	111.8	E412 Q413 Y414	E412-S416 WeakPolarHBondContact O-CB 3.31Å; E412-S416 PolarHBondContact O-N 2.87Å; Q413-S416 PolarHBondContact O-OG 3.45Å; Y414-S416 PolarHBondContact O-N 3.46Å
417	L	88.6	Confident	92.6	Very high	102 Å²	102	67.5 Å²	67.5	53%	0.534	36%	0.356	S	S	.	.	H	α-helix	trans	-75.2	-31.1	174	-63.2	177.6	0	0	0	112.6	W296 Y414 F415	W296-L417 HydrophobicContact CB-CD1 3.65Å; Y414-L417 PolarHBondContact O-N 3.2Å; F415-L417 VanDerWaalsContact C-N 3.3Å
418	R	87.3	Confident	92.6	Very high	102 Å²	102	73.2 Å²	73.2	39%	0.385	39%	0.387	S	S	.	.			trans	-138.8	75.5	-177	-69	-65	-58.6	-84.2	-4.4	111.7	Y414 F415 D420 L421	Y414-R418 PolarHBondContact O-N 3.24Å; F415-R418 CarbonylContact O-C 3.57Å; F415-R418 PolarHBondContact O-N 3.26Å; R418-D420 IonicContact CZ-OD1 3.17Å; R418-D420 IonicContact CZ-OD2 2.96Å; R418-D420 IonicContact NE-OD1 2.62Å; R418-D420 PolarHBondContact NE-OD1 2.96Å; R418-D420 IonicContact NE-OD2 2.77Å; R418-D420 IonicContact NH2-OD1 3.93Å; R418-D420 PolarHBondContact NH2-OD1 2.61Å; R418-D420 IonicContact NH2-OD2 3.79Å; R418-D420 PolarHBondContact NH2-OD2 2.89Å; R418-D420 PolarHBondContact O-N 3.12Å; R418-D420 VanDerWaalsContact O-N 3.16Å; R418-L421 HydrophobicContact CB-CD1 3.49Å; R418-L421 VanDerWaalsContact CB-CD1 3.49Å; R418-L421 HydrophobicContact CB-CG 3.72Å; R418-L421 HydrophobicContact CG-CD1 4.19Å; R418-L421 WeakPolarHBondContact O-CB 3.35Å; R418-L421 WeakPolarHBondContact O-CG 3.21Å; R418-L421 PolarHBondContact O-N 2.66Å; R418-L421 VanDerWaalsContact O-N 3.11Å
419	P	90.9	Very high	92.6	Very high	86 Å²	86	72.2 Å²	72.2	56%	0.558	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-62.1	-25.1	-176.5	-25.2	35.3	0	0	0	113.8	F415 L421 K422	F415-P419 WeakPolarHBondContact O-CA 3.3Å; F415-P419 WeakPolarHBondContact O-CD 3.41Å; F415-P419 WeakPolarHBondContact O-CG 3.17Å; P419-L421 PolarHBondContact O-N 2.88Å; P419-L421 VanDerWaalsContact O-N 3.14Å; P419-K422 PolarHBondContact O-N 2.77Å
420	D	91.7	Very high	92.8	Very high	70 Å²	70	69.6 Å²	69.6	37%	0.374	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-59.9	-20.1	176.5	64.3	-65.4	0	0	0	113.4	R418 K424	R418-D420 IonicContact CZ-OD1 3.17Å; R418-D420 IonicContact CZ-OD2 2.96Å; R418-D420 IonicContact NE-OD1 2.62Å; R418-D420 PolarHBondContact NE-OD1 2.96Å; R418-D420 IonicContact NE-OD2 2.77Å; R418-D420 IonicContact NH2-OD1 3.93Å; R418-D420 PolarHBondContact NH2-OD1 2.61Å; R418-D420 IonicContact NH2-OD2 3.79Å; R418-D420 PolarHBondContact NH2-OD2 2.89Å; R418-D420 PolarHBondContact O-N 3.12Å; R418-D420 VanDerWaalsContact O-N 3.16Å; D420-K424 IonicContact OD2-NZ 2.69Å
421	L	92.8	Very high	92.9	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-82.4	-15.4	-175.8	-56.4	-177.3	0	0	0	113.8	T396 L400 Y414 F415 R418 P419 T423 K424	T396-L421 HydrophobicContact CG2-CD1 4.29Å; T396-L421 HydrophobicContact CG2-CD2 3.45Å; T396-L421 VanDerWaalsContact CG2-CD2 3.45Å; T396-L421 HydrophobicContact CG2-CG 4.49Å; L400-L421 HydrophobicContact CD2-CB 4.12Å; Y414-L421 HydrophobicContact CE1-CD1 3.7Å; Y414-L421 HydrophobicContact CE2-CD1 4.22Å; Y414-L421 VanDerWaalsContact CZ-CD1 3.49Å; Y414-L421 VanDerWaalsContact OH-CD1 3.32Å; Y414-L421 WeakPolarHBondContact OH-CD1 3.44Å; F415-L421 HydrophobicContact CD1-CB 4.25Å; F415-L421 HydrophobicContact CE1-CB 4.37Å; R418-L421 HydrophobicContact CB-CD1 3.49Å; R418-L421 VanDerWaalsContact CB-CD1 3.49Å; R418-L421 HydrophobicContact CB-CG 3.72Å; R418-L421 HydrophobicContact CG-CD1 4.19Å; R418-L421 WeakPolarHBondContact O-CB 3.35Å; R418-L421 WeakPolarHBondContact O-CG 3.21Å; R418-L421 PolarHBondContact O-N 2.66Å; R418-L421 VanDerWaalsContact O-N 3.11Å; P419-L421 PolarHBondContact O-N 2.88Å; P419-L421 VanDerWaalsContact O-N 3.14Å; L421-T423 PolarHBondContact O-N 2.83Å; L421-T423 VanDerWaalsContact O-N 3.16Å; L421-K424 HydrophobicContact CD2-CD 3.63Å; L421-K424 HydrophobicContact CD2-CG 4.42Å; L421-K424 PolarHBondContact O-N 2.96Å
422	K	91.7	Very high	93.1	Very high	116 Å²	116	71.2 Å²	71.2	50%	0.504	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-60.6	-27.1	-178.7	-70.3	-168.4	173.6	-159.1	0	113.5	E412 F415 P419	E412-K422 WeakPolarHBondContact OE2-CE 3.32Å; E412-K422 IonicContact OE2-NZ 3.18Å; E412-K422 PolarHBondContact OE2-NZ 3.4Å; F415-K422 HydrophobicContact CB-CD 4.32Å; F415-K422 HydrophobicContact CB-CG 3.92Å; F415-K422 HydrophobicContact CD1-CG 4.1Å; F415-K422 HydrophobicContact CD2-CG 4.11Å; F415-K422 HydrophobicContact CG-CG 3.8Å; P419-K422 PolarHBondContact O-N 2.77Å
423	T	91.4	Very high	93.4	Very high	132 Å²	132	69.3 Å²	69.3	81%	0.81	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-105.5	-2.4	-177.8	56.5	0	0	0	0	113.3	L421	L421-T423 PolarHBondContact O-N 2.83Å; L421-T423 VanDerWaalsContact O-N 3.16Å
424	K	93.4	Very high	93.8	Very high	82 Å²	82	71.8 Å²	71.8	36%	0.357	39%	0.391	S	S	.	.	S	Bend	trans	-75.9	142	178.4	-73.7	-164.6	-173.2	173.3	0	111	T396 L400 D420 L421	T396-K424 HydrophobicContact CG2-CD 4.27Å; L400-K424 HydrophobicContact CD1-CB 3.83Å; D420-K424 IonicContact OD2-NZ 2.69Å; L421-K424 HydrophobicContact CD2-CD 3.63Å; L421-K424 HydrophobicContact CD2-CG 4.42Å; L421-K424 PolarHBondContact O-N 2.96Å
425	S	93.3	Very high	94.2	Very high	102 Å²	102	72.5 Å²	72.5	71%	0.713	40%	0.396	S	S	*	.			trans	-71.4	143.9	173.3	-174.4	0	0	0	0	110.9
426	Y	94.1	Very high	94.5	Very high	64 Å²	64	73.9 Å²	73.9	25%	0.251	40%	0.401	S	S	.	.			trans	-130.2	11.8	175.2	48.9	-95.4	0	0	0	112	H397 L400 R401 H404 I429	H397-Y426 PolarHBondContact CE1-O 2.83Å; L400-Y426 HydrophobicContact CB-CD1 4.3Å; L400-Y426 HydrophobicContact CB-CG 4.25Å; R401-Y426 WeakPolarHBondContact CG-O 3.36Å; R401-Y426 PolarHBondContact NH1-O 3.17Å; H404-Y426 HydrophobicContact CB-CE2 4.36Å; H404-Y426 AromaticContact CD2-CD1 3.69Å; H404-Y426 AromaticContact CD2-CE1 3.46Å; H404-Y426 VanDerWaalsContact CD2-CE1 3.46Å; H404-Y426 WeakPolarHBondContact CD2-CE1 3.3Å; H404-Y426 AromaticContact CD2-CZ 3.67Å; H404-Y426 AromaticContact CE1-CE1 3.68Å; H404-Y426 AromaticContact CE1-CZ 3.76Å; H404-Y426 AromaticContact CG-CZ 3.78Å; H404-Y426 AromaticContact ND1-CZ 3.82Å; H404-Y426 AromaticContact NE2-CD1 3.76Å; H404-Y426 AromaticContact NE2-CE1 3.23Å; H404-Y426 WeakPolarHBondContact NE2-CE1 3.4Å; H404-Y426 AromaticContact NE2-CZ 3.7Å; Y426-I429 HydrophobicContact CD2-CD1 4.5Å; Y426-I429 HydrophobicContact CD2-CG2 4.02Å; Y426-I429 HydrophobicContact CE2-CD1 3.94Å; Y426-I429 HydrophobicContact CE2-CG1 4.22Å; Y426-I429 HydrophobicContact CE2-CG2 4.42Å
427	G	95.6	Very high	94.8	Very high	40 Å²	40	78 Å²	78	41%	0.412	41%	0.409	S	S	.	.			trans	68.9	-168.2	-178.5	0	0	0	0	0	114.2
428	N	97.1	Very high	95.3	Very high	121 Å²	121	81.9 Å²	81.9	65%	0.647	42%	0.422	S	S	*	.			trans	-79.7	130.3	179.8	-174.1	-0.2	0	0	0	110.9	R401 S430	R401-N428 PolarHBondContact NH1-O 2.62Å; R401-N428 PolarHBondContact NH2-O 3.1Å; N428-S430 WeakPolarHBondContact OD1-CB 3.46Å; N428-S430 PolarHBondContact OD1-N 2.47Å; N428-S430 PolarHBondContact OD1-OG 3.13Å
429	I	98	Very high	95.8	Very high	22 Å²	22	79.8 Å²	79.8	11%	0.113	42%	0.418	C	S	.	.			trans	-121.2	6.7	178.6	60.6	167.9	0	0	0	113.1	R401 H404 V405 Y426 E431 R432 V433	R401-I429 HydrophobicContact CB-CG2 4.29Å; R401-I429 HydrophobicContact CG-CG2 4.21Å; H404-I429 HydrophobicContact CB-CD1 3.59Å; V405-I429 HydrophobicContact CG2-CB 3.92Å; V405-I429 HydrophobicContact CG2-CD1 3.88Å; V405-I429 HydrophobicContact CG2-CG1 4.42Å; V405-I429 HydrophobicContact CG2-CG2 4.27Å; Y426-I429 HydrophobicContact CD2-CD1 4.5Å; Y426-I429 HydrophobicContact CD2-CG2 4.02Å; Y426-I429 HydrophobicContact CE2-CD1 3.94Å; Y426-I429 HydrophobicContact CE2-CG1 4.22Å; Y426-I429 HydrophobicContact CE2-CG2 4.42Å; I429-E431 VanDerWaalsContact C-N 3.3Å; I429-E431 PolarHBondContact O-N 3.18Å; I429-R432 WeakPolarHBondContact O-CB 3.09Å; I429-R432 PolarHBondContact O-N 2.73Å; I429-V433 HydrophobicContact CD1-CG2 4.14Å; I429-V433 HydrophobicContact CG1-CG2 4.26Å; I429-V433 PolarHBondContact O-N 3.23Å
430	S	98.1	Very high	96.1	Very high	64 Å²	64	78.3 Å²	78.3	45%	0.448	42%	0.419	S	S	.	.	H	α-helix	trans	-55	-44	-173.4	-62.5	0	0	0	0	112.7	N428 R432 V433 E434	N428-S430 WeakPolarHBondContact OD1-CB 3.46Å; N428-S430 PolarHBondContact OD1-N 2.47Å; N428-S430 PolarHBondContact OD1-OG 3.13Å; S430-R432 VanDerWaalsContact C-N 3.3Å; S430-R432 PolarHBondContact O-N 3.27Å; S430-V433 PolarHBondContact O-N 2.79Å; S430-E434 WeakPolarHBondContact O-CB 3.31Å; S430-E434 WeakPolarHBondContact O-CG 3.08Å; S430-E434 PolarHBondContact O-N 3.22Å
431	E	97.7	Very high	96.5	Very high	131 Å²	131	76 Å²	76	61%	0.612	41%	0.408	S	S	*	.	H	α-helix	trans	-59.1	-40	177.1	-173	-172.3	168.8	0	0	112.2	I429 E434 L435	I429-E431 VanDerWaalsContact C-N 3.3Å; I429-E431 PolarHBondContact O-N 3.18Å; E431-E434 PolarHBondContact O-N 3.05Å; E431-L435 VanDerWaalsContact O-CB 3.28Å; E431-L435 WeakPolarHBondContact O-CB 3.4Å; E431-L435 PolarHBondContact O-N 3.47Å
432	R	98.4	Very high	96.7	Very high	6 Å²	6	81.4 Å²	81.4	2%	0.023	43%	0.431	C	S	.	.	H	α-helix	trans	-70.7	-37.8	179.9	-53.8	-52.1	-61.8	177.4	-5.6	111.7	G341 D344 E356 V405 I429 S430 R436	G341-R432 PolarHBondContact O-NH1 3.09Å; D344-R432 HydrophobicContact CB-CG 4.4Å; E356-R432 IonicContact OE1-CZ 3.05Å; E356-R432 IonicContact OE1-NE 3.56Å; E356-R432 IonicContact OE1-NH2 3.31Å; E356-R432 PolarHBondContact OE1-NH2 3.26Å; E356-R432 VanDerWaalsContact OE1-NH2 3.08Å; E356-R432 IonicContact OE2-NH2 3.32Å; V405-R432 HydrophobicContact CG1-CB 3.99Å; V405-R432 HydrophobicContact CG2-CB 3.81Å; I429-R432 WeakPolarHBondContact O-CB 3.09Å; I429-R432 PolarHBondContact O-N 2.73Å; S430-R432 VanDerWaalsContact C-N 3.3Å; S430-R432 PolarHBondContact O-N 3.27Å; R432-R436 PolarHBondContact O-N 3.49Å
433	V	98.1	Very high	97.1	Very high	48 Å²	48	78.3 Å²	78.3	29%	0.291	43%	0.425	S	S	.	.	H	α-helix	trans	-67	-42.3	174.8	175.3	0	0	0	0	111	V405 I429 S430 R436 K437	V405-V433 HydrophobicContact CG2-CG2 4.24Å; I429-V433 HydrophobicContact CD1-CG2 4.14Å; I429-V433 HydrophobicContact CG1-CG2 4.26Å; I429-V433 PolarHBondContact O-N 3.23Å; S430-V433 PolarHBondContact O-N 2.79Å; V433-R436 PolarHBondContact O-N 3.45Å; V433-K437 WeakPolarHBondContact O-CG 3.37Å; V433-K437 PolarHBondContact O-N 2.86Å; V433-K437 VanDerWaalsContact O-N 3.16Å
434	E	98.4	Very high	97.4	Very high	129 Å²	129	72 Å²	72	60%	0.603	39%	0.386	S	S	*	.	H	α-helix	trans	-65.2	-42.3	175.6	-75.3	173.4	-165.4	0	0	112	S430 E431 R436 K437 K438	S430-E434 WeakPolarHBondContact O-CB 3.31Å; S430-E434 WeakPolarHBondContact O-CG 3.08Å; S430-E434 PolarHBondContact O-N 3.22Å; E431-E434 PolarHBondContact O-N 3.05Å; E434-R436 PolarHBondContact O-N 2.92Å; E434-K437 WeakPolarHBondContact O-CB 3.44Å; E434-K437 PolarHBondContact O-N 2.91Å; E434-K438 WeakPolarHBondContact O-CB 3.29Å; E434-K438 PolarHBondContact O-N 2.86Å
435	L	98.4	Very high	97.5	Very high	25 Å²	25	72.3 Å²	72.3	13%	0.131	39%	0.387	C	S	.	.	H	α-helix	trans	-57.1	-47.8	173.6	178.1	66.4	0	0	0	111.4	E431 K437 K438 L439	E431-L435 VanDerWaalsContact O-CB 3.28Å; E431-L435 WeakPolarHBondContact O-CB 3.4Å; E431-L435 PolarHBondContact O-N 3.47Å; L435-K437 VanDerWaalsContact C-N 3.27Å; L435-K437 PolarHBondContact O-N 2.82Å; L435-K438 PolarHBondContact O-N 3.5Å; L435-L439 HydrophobicContact CD1-CD1 3.84Å; L435-L439 HydrophobicContact CD1-CG 4.06Å; L435-L439 HydrophobicContact CG-CD1 3.98Å; L435-L439 HydrophobicContact CG-CG 4.49Å; L435-L439 WeakPolarHBondContact O-CG 3.35Å; L435-L439 PolarHBondContact O-N 3.42Å
436	R	98.4	Very high	97.7	Very high	36 Å²	36	71.2 Å²	71.2	14%	0.136	37%	0.368	C	S	.	.	H	α-helix	trans	-57.8	-40	177.3	-175.6	176.4	177.6	-161.1	-5.6	112	M363 V405 W406 D408 R432 V433 E434 G440 C441 K442	M363-R436 VanDerWaalsContact CE-NH2 3.3Å; V405-R436 WeakPolarHBondContact O-CD 3.41Å; V405-R436 PolarHBondContact O-NH1 3.19Å; W406-R436 HydrophobicContact CE3-CG 4.32Å; W406-R436 HydrophobicContact CH2-CB 3.98Å; W406-R436 HydrophobicContact CH2-CG 3.96Å; W406-R436 HydrophobicContact CZ3-CB 4.23Å; W406-R436 HydrophobicContact CZ3-CG 3.68Å; D408-R436 VanDerWaalsContact CG-NH2 3.33Å; D408-R436 IonicContact OD1-CZ 3.88Å; D408-R436 VanDerWaalsContact OD1-CZ 3.24Å; D408-R436 IonicContact OD1-NH1 3.57Å; D408-R436 PolarHBondContact OD1-NH1 2.87Å; D408-R436 IonicContact OD1-NH2 2.81Å; D408-R436 PolarHBondContact OD1-NH2 3.5Å; D408-R436 IonicContact OD2-CZ 3.17Å; D408-R436 IonicContact OD2-NH1 3.37Å; D408-R436 IonicContact OD2-NH2 2.78Å; D408-R436 PolarHBondContact OD2-NH2 3.44Å; R432-R436 PolarHBondContact O-N 3.49Å; V433-R436 PolarHBondContact O-N 3.45Å; E434-R436 PolarHBondContact O-N 2.92Å; R436-G440 PolarHBondContact O-N 3.28Å; R436-C441 HydrophobicContact CG-CB 3.9Å; R436-C441 PolarHBondContact O-N 2.85Å; R436-C441 PolarHBondContact O-SG 3.16Å; R436-C441 VanDerWaalsContact O-SG 3.38Å; R436-K442 PolarHBondContact NH2-O 3.07Å
437	K	98.1	Very high	97.9	Very high	159 Å²	159	68.2 Å²	68.2	69%	0.691	36%	0.356	S	S	*	.	H	α-helix	trans	-67.5	-47.3	175.2	-69.3	173.9	-177.6	177	0	111.8	V433 E434 L435 L439 G440	V433-K437 WeakPolarHBondContact O-CG 3.37Å; V433-K437 PolarHBondContact O-N 2.86Å; V433-K437 VanDerWaalsContact O-N 3.16Å; E434-K437 WeakPolarHBondContact O-CB 3.44Å; E434-K437 PolarHBondContact O-N 2.91Å; L435-K437 VanDerWaalsContact C-N 3.27Å; L435-K437 PolarHBondContact O-N 2.82Å; K437-L439 VanDerWaalsContact C-N 3.29Å; K437-L439 PolarHBondContact O-N 3.13Å; K437-G440 PolarHBondContact O-N 3.28Å
438	K	98.2	Very high	97.9	Very high	184 Å²	184	66.3 Å²	66.3	80%	0.8	34%	0.336	S	S	*	.	H	α-helix	trans	-59.4	-39.5	-178.8	-177.6	-178.5	176.9	-176.3	0	112.2	E434 L435 G440	E434-K438 WeakPolarHBondContact O-CB 3.29Å; E434-K438 PolarHBondContact O-N 2.86Å; L435-K438 PolarHBondContact O-N 3.5Å; K438-G440 VanDerWaalsContact C-N 3.27Å; K438-G440 PolarHBondContact O-N 2.69Å
439	L	98.1	Very high	97.8	Very high	58 Å²	58	63.7 Å²	63.7	30%	0.304	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-5.4	178.6	-67.3	177.6	0	0	0	113.5	L340 C364 L435 K437 C441	L340-L439 HydrophobicContact CD2-CD1 4.26Å; C364-L439 HydrophobicContact CB-CB 4.27Å; C364-L439 HydrophobicContact CB-CD1 4.26Å; L435-L439 HydrophobicContact CD1-CD1 3.84Å; L435-L439 HydrophobicContact CD1-CG 4.06Å; L435-L439 HydrophobicContact CG-CD1 3.98Å; L435-L439 HydrophobicContact CG-CG 4.49Å; L435-L439 WeakPolarHBondContact O-CG 3.35Å; L435-L439 PolarHBondContact O-N 3.42Å; K437-L439 VanDerWaalsContact C-N 3.29Å; K437-L439 PolarHBondContact O-N 3.13Å; L439-C441 VanDerWaalsContact C-N 3.29Å; L439-C441 WeakPolarHBondContact CB-SG 3.28Å; L439-C441 PolarHBondContact O-N 3.38Å
440	G	98	Very high	97.6	Very high	56 Å²	56	67.1 Å²	67.1	58%	0.577	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	33.9	179.8	0	0	0	0	0	113.6	R436 K437 K438	R436-G440 PolarHBondContact O-N 3.28Å; K437-G440 PolarHBondContact O-N 3.28Å; K438-G440 VanDerWaalsContact C-N 3.27Å; K438-G440 PolarHBondContact O-N 2.69Å
441	C	98.5	Very high	97.5	Very high	22 Å²	22	65.4 Å²	65.4	15%	0.149	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-66.8	148.2	-172	-47.8	0	0	0	0	112.5	M363 C364 W406 R436 L439	M363-C441 HydrophobicContact CB-CB 4.3Å; M363-C441 CarbonylContact O-C 3.57Å; M363-C441 WeakPolarHBondContact O-CA 3.46Å; M363-C441 WeakPolarHBondContact O-CB 3.2Å; C364-C441 HydrophobicContact CB-CB 4.06Å; C364-C441 WeakPolarHBondContact CB-SG 3.37Å; C364-C441 WeakPolarHBondContact SG-CB 3.46Å; C364-C441 CovalentContact SG-SG 2.03Å; C364-C441 PolarHBondContact SG-SG 2.85Å; W406-C441 HydrophobicContact CZ3-CB 4.31Å; R436-C441 HydrophobicContact CG-CB 3.9Å; R436-C441 PolarHBondContact O-N 2.85Å; R436-C441 PolarHBondContact O-SG 3.16Å; R436-C441 VanDerWaalsContact O-SG 3.38Å; L439-C441 VanDerWaalsContact C-N 3.29Å; L439-C441 WeakPolarHBondContact CB-SG 3.28Å; L439-C441 PolarHBondContact O-N 3.38Å
442	K	98.6	Very high	97.3	Very high	112 Å²	112	59.2 Å²	59.2	49%	0.487	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-67.8	168.7	175.9	-55.1	-57.7	-177.2	-173.2	0	112.1	M363 R436 W446	M363-K442 WeakPolarHBondContact CE-O 3.34Å; M363-K442 PolarHBondContact O-N 3.01Å; R436-K442 PolarHBondContact NH2-O 3.07Å; K442-W446 HydrophobicContact CB-CB 4.02Å; K442-W446 HydrophobicContact CB-CD2 3.67Å; K442-W446 HydrophobicContact CB-CE3 3.56Å; K442-W446 HydrophobicContact CB-CG 3.86Å; K442-W446 HydrophobicContact CB-CZ3 4.32Å; K442-W446 HydrophobicContact CG-CD2 3.77Å; K442-W446 HydrophobicContact CG-CE3 3.87Å; K442-W446 HydrophobicContact CG-CG 4.17Å; K442-W446 HydrophobicContact CG-CZ3 4.3Å
443	S	98.4	Very high	96.9	Very high	52 Å²	52	61.4 Å²	61.4	36%	0.364	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-77.1	160.2	175	62.7	0	0	0	0	112	D408 K445 W446 Y447	D408-S443 WeakPolarHBondContact OD2-CA 3.29Å; S443-K445 PolarHBondContact O-N 3.44Å; S443-W446 WeakPolarHBondContact O-CB 3.39Å; S443-W446 PolarHBondContact O-N 2.64Å; S443-W446 VanDerWaalsContact O-N 3.14Å; S443-W446 PolarHBondContact OG-N 2.76Å; S443-Y447 PolarHBondContact O-N 2.87Å; S443-Y447 VanDerWaalsContact O-N 3.16Å
444	F	98.1	Very high	96.3	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.6	-31.1	174.1	-162.8	-109.4	0	0	0	111.9	F294 W296 F359 M363 W406 L407 D408 Y410 W446 Y447 L448	F294-F444 AromaticContact CZ-CZ 3.82Å; F294-F444 HydrophobicContact CZ-CZ 3.82Å; W296-F444 HydrophobicContact CH2-CE1 4.32Å; W296-F444 HydrophobicContact CZ3-CE1 4.33Å; F359-F444 HydrophobicContact CD1-CE2 4.23Å; F359-F444 HydrophobicContact CD2-CE2 4.09Å; F359-F444 HydrophobicContact CE1-CE2 4.16Å; F359-F444 AromaticContact CE2-CE2 3.99Å; F359-F444 HydrophobicContact CE2-CE2 3.99Å; F359-F444 HydrophobicContact CE2-CZ 4.44Å; F359-F444 HydrophobicContact CG-CE2 4.21Å; F359-F444 HydrophobicContact CZ-CE2 4.04Å; F359-F444 HydrophobicContact CZ-CZ 4.26Å; M363-F444 HydrophobicContact CE-CB 4.38Å; M363-F444 HydrophobicContact SD-CD2 4.05Å; W406-F444 WeakPolarHBondContact O-CB 3.11Å; W406-F444 WeakPolarHBondContact O-CD2 3.29Å; L407-F444 HydrophobicContact CD2-CD1 4.07Å; L407-F444 HydrophobicContact CD2-CD2 3.83Å; L407-F444 HydrophobicContact CD2-CE1 3.63Å; L407-F444 HydrophobicContact CD2-CE2 3.38Å; L407-F444 HydrophobicContact CD2-CG 4.15Å; L407-F444 HydrophobicContact CD2-CZ 3.26Å; D408-F444 HydrophobicContact CB-CB 4.37Å; D408-F444 PolarHBondContact OD2-N 3.42Å; Y410-F444 HydrophobicContact CD2-CB 4.3Å; Y410-F444 AromaticContact CD2-CD1 3.77Å; Y410-F444 HydrophobicContact CD2-CD1 3.77Å; Y410-F444 AromaticContact CG-CD1 3.77Å; Y410-F444 HydrophobicContact CG-CD1 3.77Å; Y410-F444 HydrophobicContact CG-CE1 4.34Å; F444-W446 VanDerWaalsContact C-N 3.33Å; F444-W446 PolarHBondContact O-N 3.12Å; F444-Y447 HydrophobicContact CD2-CD1 4.12Å; F444-Y447 HydrophobicContact CD2-CG 4.47Å; F444-Y447 AromaticContact CE2-CD1 3.63Å; F444-Y447 HydrophobicContact CE2-CD1 3.63Å; F444-Y447 HydrophobicContact CE2-CE1 4.05Å; F444-Y447 HydrophobicContact CE2-CG 4.34Å; F444-Y447 HydrophobicContact CZ-CD1 4.03Å; F444-Y447 HydrophobicContact CZ-CE1 4.28Å; F444-Y447 WeakPolarHBondContact O-CB 3.43Å; F444-Y447 PolarHBondContact O-N 2.04Å; F444-L448 HydrophobicContact CD1-CD1 3.94Å; F444-L448 HydrophobicContact CD1-CG 4.08Å; F444-L448 HydrophobicContact CE1-CD1 3.78Å; F444-L448 HydrophobicContact CE1-CD2 3.98Å; F444-L448 HydrophobicContact CE1-CG 3.82Å; F444-L448 HydrophobicContact CZ-CD2 4.21Å; F444-L448 HydrophobicContact CZ-CG 4.38Å; F444-L448 PolarHBondContact O-N 2.98Å
445	K	96.5	Very high	95.5	Very high	87 Å²	87	56.3 Å²	56.3	38%	0.378	29%	0.285	S	S	.	.	H	α-helix	trans	-55.2	-48.8	169	177.4	161.8	172.8	42.3	0	111.5	Y410 S443 Y447 L448 D449	Y410-K445 HydrophobicContact CE2-CB 3.85Å; S443-K445 PolarHBondContact O-N 3.44Å; K445-Y447 VanDerWaalsContact C-N 3.28Å; K445-Y447 PolarHBondContact O-N 3.19Å; K445-L448 PolarHBondContact O-N 2.9Å; K445-D449 WeakPolarHBondContact CG-OD2 3.09Å; K445-D449 IonicContact NZ-OD1 3.77Å; K445-D449 PolarHBondContact NZ-OD1 3.22Å; K445-D449 IonicContact NZ-OD2 2.66Å; K445-D449 PolarHBondContact NZ-OD2 2.76Å; K445-D449 WeakPolarHBondContact O-CB 3.26Å; K445-D449 PolarHBondContact O-N 3.35Å
446	W	97.9	Very high	94	Very high	80 Å²	80	59.1 Å²	59.1	30%	0.303	30%	0.298	S	S	.	.	H	α-helix	trans	-59.2	-41.7	177	175.4	91.2	0	0	0	111.5	W362 K442 S443 F444 D449 N450 I451	W362-W446 WeakPolarHBondContact O-CZ3 3.36Å; K442-W446 HydrophobicContact CB-CB 4.02Å; K442-W446 HydrophobicContact CB-CD2 3.67Å; K442-W446 HydrophobicContact CB-CE3 3.56Å; K442-W446 HydrophobicContact CB-CG 3.86Å; K442-W446 HydrophobicContact CB-CZ3 4.32Å; K442-W446 HydrophobicContact CG-CD2 3.77Å; K442-W446 HydrophobicContact CG-CE3 3.87Å; K442-W446 HydrophobicContact CG-CG 4.17Å; K442-W446 HydrophobicContact CG-CZ3 4.3Å; S443-W446 WeakPolarHBondContact O-CB 3.39Å; S443-W446 PolarHBondContact O-N 2.64Å; S443-W446 VanDerWaalsContact O-N 3.14Å; S443-W446 PolarHBondContact OG-N 2.76Å; F444-W446 VanDerWaalsContact C-N 3.33Å; F444-W446 PolarHBondContact O-N 3.12Å; W446-D449 PolarHBondContact O-N 3.11Å; W446-N450 HydrophobicContact CD2-CB 4.47Å; W446-N450 HydrophobicContact CZ2-CB 4.2Å; W446-N450 PolarHBondContact NE1-ND2 2.89Å; W446-N450 WeakPolarHBondContact O-CB 3.34Å; W446-N450 PolarHBondContact O-N 3.36Å; W446-N450 PolarHBondContact O-ND2 3.36Å; W446-I451 HydrophobicContact CH2-CD1 4.14Å; W446-I451 HydrophobicContact CH2-CG1 4.25Å; W446-I451 HydrophobicContact CZ3-CD1 4.44Å; W446-I451 HydrophobicContact CZ3-CG1 4.05Å
447	Y	98.1	Very high	92.1	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.3	-48.3	176.3	170.8	-90.5	0	0	0	111.7	F294 P323 F359 W362 M363 S443 F444 K445 D449 N450 I451 Y452	F294-Y447 HydrophobicContact CE1-CE1 4.11Å; P323-Y447 VanDerWaalsContact C-OH 3.32Å; P323-Y447 WeakPolarHBondContact CB-OH 3.5Å; P323-Y447 PolarHBondContact O-OH 2.84Å; F359-Y447 HydrophobicContact CD1-CE1 4.07Å; F359-Y447 HydrophobicContact CD1-CE2 4.05Å; F359-Y447 AromaticContact CD1-CZ 3.72Å; F359-Y447 AromaticContact CE1-CE1 3.93Å; F359-Y447 HydrophobicContact CE1-CE1 3.93Å; F359-Y447 AromaticContact CE1-CZ 3.8Å; W362-Y447 HydrophobicContact CB-CD2 3.82Å; W362-Y447 HydrophobicContact CB-CE2 3.97Å; W362-Y447 AromaticContact CD1-CE2 3.8Å; W362-Y447 HydrophobicContact CG-CD2 4.34Å; W362-Y447 HydrophobicContact CG-CE2 4.08Å; M363-Y447 HydrophobicContact CG-CD2 4.32Å; M363-Y447 HydrophobicContact CG-CG 4.44Å; S443-Y447 PolarHBondContact O-N 2.87Å; S443-Y447 VanDerWaalsContact O-N 3.16Å; F444-Y447 HydrophobicContact CD2-CD1 4.12Å; F444-Y447 HydrophobicContact CD2-CG 4.47Å; F444-Y447 AromaticContact CE2-CD1 3.63Å; F444-Y447 HydrophobicContact CE2-CD1 3.63Å; F444-Y447 HydrophobicContact CE2-CE1 4.05Å; F444-Y447 HydrophobicContact CE2-CG 4.34Å; F444-Y447 HydrophobicContact CZ-CD1 4.03Å; F444-Y447 HydrophobicContact CZ-CE1 4.28Å; F444-Y447 WeakPolarHBondContact O-CB 3.43Å; F444-Y447 PolarHBondContact O-N 2.04Å; K445-Y447 VanDerWaalsContact C-N 3.28Å; K445-Y447 PolarHBondContact O-N 3.19Å; Y447-D449 PolarHBondContact O-N 3.37Å; Y447-N450 PolarHBondContact O-N 2.94Å; Y447-I451 HydrophobicContact CD2-CB 3.87Å; Y447-I451 HydrophobicContact CD2-CG1 3.99Å; Y447-I451 HydrophobicContact CD2-CG2 4.12Å; Y447-I451 HydrophobicContact CE2-CB 3.93Å; Y447-I451 HydrophobicContact CE2-CG1 4.42Å; Y447-I451 HydrophobicContact CE2-CG2 3.68Å; Y447-I451 HydrophobicContact CG-CB 4.43Å; Y447-I451 WeakPolarHBondContact O-CA 3.07Å; Y447-I451 VanDerWaalsContact O-CB 3.24Å; Y447-I451 WeakPolarHBondContact O-CB 3.41Å; Y447-I451 PolarHBondContact O-N 3.02Å; Y447-Y452 PolarHBondContact O-N 3.41Å; Y447-Y452 VanDerWaalsContact O-N 3.15Å
448	L	95.3	Very high	89.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.7	-40.4	177.3	-66.1	175.5	0	0	0	112.1	W296 Y410 F444 K445 N450 Y452 P453 M455 Q456	W296-L448 HydrophobicContact CH2-CD1 4.11Å; Y410-L448 HydrophobicContact CD1-CD1 3.7Å; Y410-L448 HydrophobicContact CE1-CD1 3.54Å; Y410-L448 HydrophobicContact CG-CD1 4.24Å; F444-L448 HydrophobicContact CD1-CD1 3.94Å; F444-L448 HydrophobicContact CD1-CG 4.08Å; F444-L448 HydrophobicContact CE1-CD1 3.78Å; F444-L448 HydrophobicContact CE1-CD2 3.98Å; F444-L448 HydrophobicContact CE1-CG 3.82Å; F444-L448 HydrophobicContact CZ-CD2 4.21Å; F444-L448 HydrophobicContact CZ-CG 4.38Å; F444-L448 PolarHBondContact O-N 2.98Å; K445-L448 PolarHBondContact O-N 2.9Å; L448-N450 PolarHBondContact O-N 3.13Å; L448-Y452 CarbonylContact O-C 3.55Å; L448-P453 WeakPolarHBondContact O-CA 3.46Å; L448-M455 HydrophobicContact CD2-CB 4.15Å; L448-M455 HydrophobicContact CD2-CG 4.18Å; L448-Q456 HydrophobicContact CB-CG 4.03Å; L448-Q456 HydrophobicContact CD1-CG 4.33Å
449	D	94.1	Very high	87.6	Confident	66 Å²	66	50 Å²	50	35%	0.353	28%	0.278	S	S	.	.	H	α-helix	trans	-70.4	-31.7	-177.6	-65.4	-14.8	0	0	0	112.7	K445 W446 Y447 Q456	K445-D449 WeakPolarHBondContact CG-OD2 3.09Å; K445-D449 IonicContact NZ-OD1 3.77Å; K445-D449 PolarHBondContact NZ-OD1 3.22Å; K445-D449 IonicContact NZ-OD2 2.66Å; K445-D449 PolarHBondContact NZ-OD2 2.76Å; K445-D449 WeakPolarHBondContact O-CB 3.26Å; K445-D449 PolarHBondContact O-N 3.35Å; W446-D449 PolarHBondContact O-N 3.11Å; Y447-D449 PolarHBondContact O-N 3.37Å; D449-Q456 PolarHBondContact OD1-NE2 3.36Å
450	N	94.6	Very high	85.1	Confident	95 Å²	95	52.7 Å²	52.7	51%	0.508	30%	0.299	S	S	.	.	H	α-helix	trans	-111.3	-29.8	-169.6	-65.4	-94.6	0	0	0	114.2	W446 Y447 L448	W446-N450 HydrophobicContact CD2-CB 4.47Å; W446-N450 HydrophobicContact CZ2-CB 4.2Å; W446-N450 PolarHBondContact NE1-ND2 2.89Å; W446-N450 WeakPolarHBondContact O-CB 3.34Å; W446-N450 PolarHBondContact O-N 3.36Å; W446-N450 PolarHBondContact O-ND2 3.36Å; Y447-N450 PolarHBondContact O-N 2.94Å; L448-N450 PolarHBondContact O-N 3.13Å
451	I	95.1	Very high	82.5	Confident	27 Å²	27	59 Å²	59	14%	0.138	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-39.1	-173.5	-53	-54	0	0	0	111.2	P323 W362 W446 Y447	P323-I451 HydrophobicContact CB-CG2 4.4Å; W362-I451 HydrophobicContact CB-CG1 4.24Å; W362-I451 HydrophobicContact CD2-CD1 3.78Å; W362-I451 HydrophobicContact CD2-CG1 3.97Å; W362-I451 HydrophobicContact CD2-CG2 3.79Å; W362-I451 HydrophobicContact CE3-CD1 3.37Å; W362-I451 HydrophobicContact CE3-CG1 4.03Å; W362-I451 HydrophobicContact CG-CD1 4.43Å; W362-I451 HydrophobicContact CG-CG1 4.11Å; W362-I451 HydrophobicContact CG-CG2 3.86Å; W362-I451 HydrophobicContact CH2-CD1 4.27Å; W362-I451 HydrophobicContact CZ2-CG2 4.24Å; W362-I451 HydrophobicContact CZ3-CD1 3.65Å; W446-I451 HydrophobicContact CH2-CD1 4.14Å; W446-I451 HydrophobicContact CH2-CG1 4.25Å; W446-I451 HydrophobicContact CZ3-CD1 4.44Å; W446-I451 HydrophobicContact CZ3-CG1 4.05Å; Y447-I451 HydrophobicContact CD2-CB 3.87Å; Y447-I451 HydrophobicContact CD2-CG1 3.99Å; Y447-I451 HydrophobicContact CD2-CG2 4.12Å; Y447-I451 HydrophobicContact CE2-CB 3.93Å; Y447-I451 HydrophobicContact CE2-CG1 4.42Å; Y447-I451 HydrophobicContact CE2-CG2 3.68Å; Y447-I451 HydrophobicContact CG-CB 4.43Å; Y447-I451 WeakPolarHBondContact O-CA 3.07Å; Y447-I451 VanDerWaalsContact O-CB 3.24Å; Y447-I451 WeakPolarHBondContact O-CB 3.41Å; Y447-I451 PolarHBondContact O-N 3.02Å
452	Y	94.3	Very high	80.1	Confident	1 Å²	1	59.7 Å²	59.7	0%	0.004	32%	0.32	C	S	.	.			trans	-139.1	59.9	-175.5	-161.7	-157.3	0	0	0	114.4	F294 K301 D303 P323 Y447 L448 E454 M455	F294-Y452 HydrophobicContact CD1-CD1 4.07Å; F294-Y452 AromaticContact CD1-CE1 3.77Å; F294-Y452 HydrophobicContact CD1-CE1 3.77Å; F294-Y452 AromaticContact CE1-CD1 3.63Å; F294-Y452 HydrophobicContact CE1-CD1 3.63Å; F294-Y452 AromaticContact CE1-CE1 3.74Å; F294-Y452 HydrophobicContact CE1-CE1 3.74Å; K301-Y452 WeakPolarHBondContact CE-OH 3.23Å; K301-Y452 PolarHBondContact NZ-OH 3.45Å; K301-Y452 VanDerWaalsContact NZ-OH 3.13Å; D303-Y452 WeakPolarHBondContact OD2-CE2 3.49Å; D303-Y452 VanDerWaalsContact OD2-CZ 3.28Å; D303-Y452 PolarHBondContact OD2-OH 2.97Å; P323-Y452 HydrophobicContact CB-CD1 3.97Å; P323-Y452 HydrophobicContact CB-CD2 4.09Å; P323-Y452 HydrophobicContact CB-CG 3.74Å; P323-Y452 HydrophobicContact CG-CD1 4.38Å; P323-Y452 HydrophobicContact CG-CD2 3.58Å; P323-Y452 HydrophobicContact CG-CE2 4.1Å; P323-Y452 HydrophobicContact CG-CG 3.74Å; Y447-Y452 PolarHBondContact O-N 3.41Å; Y447-Y452 VanDerWaalsContact O-N 3.15Å; L448-Y452 CarbonylContact O-C 3.55Å; Y452-E454 WeakPolarHBondContact CD2-OE2 3.38Å; Y452-E454 PolarHBondContact O-N 3.26Å; Y452-M455 HydrophobicContact CD1-CB 3.57Å; Y452-M455 HydrophobicContact CD1-CG 4.09Å; Y452-M455 HydrophobicContact CD2-CB 4.33Å; Y452-M455 HydrophobicContact CE1-CB 3.64Å; Y452-M455 HydrophobicContact CE1-CG 3.93Å; Y452-M455 HydrophobicContact CE1-SD 4.06Å; Y452-M455 HydrophobicContact CE2-CB 4.4Å; Y452-M455 HydrophobicContact CG-CB 3.93Å; Y452-M455 WeakPolarHBondContact O-CB 3.23Å; Y452-M455 PolarHBondContact O-N 3.15Å
453	P	90.3	Very high	77.5	Confident	52 Å²	52	63.1 Å²	63.1	34%	0.338	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-64.2	-27.4	-176.6	25.6	-34.8	0	0	0	113.2	L448 M455 Q456	L448-P453 WeakPolarHBondContact O-CA 3.46Å; P453-M455 PolarHBondContact O-N 2.73Å; P453-Q456 WeakPolarHBondContact O-CB 3.2Å; P453-Q456 PolarHBondContact O-N 3Å; P453-Q456 VanDerWaalsContact O-N 3.09Å
454	E	84.4	Confident	74.8	Confident	65 Å²	65	66.4 Å²	66.4	30%	0.304	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-66.7	-22.9	-178.9	-53.2	87.7	160.9	0	0	112.7	R291 Y452 Q456 I457 S458	R291-E454 IonicContact CZ-OE1 3.24Å; R291-E454 IonicContact NH1-OE1 2.91Å; R291-E454 IonicContact NH2-OE1 3.89Å; R291-E454 PolarHBondContact NH2-OE1 2.99Å; R291-E454 IonicContact NH2-OE2 2.95Å; R291-E454 PolarHBondContact NH2-OE2 3.04Å; R291-E454 VanDerWaalsContact NH2-OE2 3.17Å; Y452-E454 WeakPolarHBondContact CD2-OE2 3.38Å; Y452-E454 PolarHBondContact O-N 3.26Å; E454-Q456 VanDerWaalsContact C-N 3.31Å; E454-Q456 PolarHBondContact O-N 3.14Å; E454-I457 PolarHBondContact O-N 3.29Å; E454-S458 PolarHBondContact O-OG 3.1Å
455	M	82.5	Confident	72.2	Confident	5 Å²	5	74.2 Å²	74.2	3%	0.025	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-66.7	-33.4	174.1	-171.7	57.9	171.9	0	0	112	F294 W296 L448 Y452 P453 I457 S458	F294-M455 HydrophobicContact CD2-CE 4.16Å; F294-M455 HydrophobicContact CE2-CE 3.83Å; F294-M455 HydrophobicContact CZ-CE 4.17Å; F294-M455 HydrophobicContact CZ-CG 4.4Å; F294-M455 VanDerWaalsContact O-CE 3.31Å; F294-M455 WeakPolarHBondContact O-CE 3.39Å; F294-M455 VanDerWaalsContact O-SD 3.4Å; W296-M455 HydrophobicContact CD2-CE 3.73Å; W296-M455 HydrophobicContact CE3-CE 4.43Å; W296-M455 HydrophobicContact CG-CE 3.74Å; W296-M455 HydrophobicContact CZ2-CE 4.29Å; W296-M455 HydrophobicContact CZ2-CG 4.24Å; L448-M455 HydrophobicContact CD2-CB 4.15Å; L448-M455 HydrophobicContact CD2-CG 4.18Å; Y452-M455 HydrophobicContact CD1-CB 3.57Å; Y452-M455 HydrophobicContact CD1-CG 4.09Å; Y452-M455 HydrophobicContact CD2-CB 4.33Å; Y452-M455 HydrophobicContact CE1-CB 3.64Å; Y452-M455 HydrophobicContact CE1-CG 3.93Å; Y452-M455 HydrophobicContact CE1-SD 4.06Å; Y452-M455 HydrophobicContact CE2-CB 4.4Å; Y452-M455 HydrophobicContact CG-CB 3.93Å; Y452-M455 WeakPolarHBondContact O-CB 3.23Å; Y452-M455 PolarHBondContact O-N 3.15Å; P453-M455 PolarHBondContact O-N 2.73Å; M455-I457 VanDerWaalsContact C-N 3.32Å; M455-S458 PolarHBondContact O-N 2.77Å
456	Q	67.6	Low	69.5	Low	84 Å²	84	78 Å²	78	39%	0.393	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-70	-32.9	175.4	-61.9	-175.4	-5.1	0	0	111.5	L448 D449 P453 E454 S458 G459	L448-Q456 HydrophobicContact CB-CG 4.03Å; L448-Q456 HydrophobicContact CD1-CG 4.33Å; D449-Q456 PolarHBondContact OD1-NE2 3.36Å; P453-Q456 WeakPolarHBondContact O-CB 3.2Å; P453-Q456 PolarHBondContact O-N 3Å; P453-Q456 VanDerWaalsContact O-N 3.09Å; E454-Q456 VanDerWaalsContact C-N 3.31Å; E454-Q456 PolarHBondContact O-N 3.14Å; Q456-S458 PolarHBondContact O-N 3.48Å; Q456-S458 VanDerWaalsContact O-N 3.15Å; Q456-G459 PolarHBondContact O-N 3.26Å
457	I	56.8	Low	66.8	Low	87 Å²	87	77.5 Å²	77.5	45%	0.446	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-74.5	6.1	174.8	-46.6	171	0	0	0	111.4	E454 M455 A462	E454-I457 PolarHBondContact O-N 3.29Å; M455-I457 VanDerWaalsContact C-N 3.32Å; I457-A462 WeakPolarHBondContact O-CB 3.4Å
458	S	50.9	Low	63.9	Low	81 Å²	81	85.1 Å²	85.1	57%	0.566	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-120.5	10.4	176.7	-57.6	0	0	0	0	113.4	E454 M455 Q456	E454-S458 PolarHBondContact O-OG 3.1Å; M455-S458 PolarHBondContact O-N 2.77Å; Q456-S458 PolarHBondContact O-N 3.48Å; Q456-S458 VanDerWaalsContact O-N 3.15Å
459	G	52.2	Low	61.3	Low	19 Å²	19	91.6 Å²	91.6	20%	0.196	49%	0.485	C	S	.	.	S	Bend	trans	-71.4	175.5	176.7	0	0	0	0	0	114.1	Q456 H461 A462	Q456-G459 PolarHBondContact O-N 3.26Å; G459-H461 PolarHBondContact O-N 3.21Å; G459-A462 WeakPolarHBondContact O-CB 3.02Å; G459-A462 PolarHBondContact O-N 3.15Å
460	P	45.9	Very low	58.6	Low	115 Å²	115	94.2 Å²	94.2	75%	0.747	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-11.4	-174.4	21.2	-31.6	0	0	0	115.6
461	H	42.2	Very low	55.7	Low	188 Å²	188	95.1 Å²	95.1	87%	0.87	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	4	175.9	-64.7	-56.9	0	0	0	114.2	G459	G459-H461 PolarHBondContact O-N 3.21Å
462	A	49.1	Very low	53.1	Low	37 Å²	37	104.9 Å²	104.9	31%	0.306	54%	0.544	S	S	.	.			trans	-80.6	134.8	-178.7	0	0	0	0	0	112.5	I457 G459	I457-A462 WeakPolarHBondContact O-CB 3.4Å; G459-A462 WeakPolarHBondContact O-CB 3.02Å; G459-A462 PolarHBondContact O-N 3.15Å
463	K	43.5	Very low	50.6	Low	184 Å²	184	107 Å²	107	80%	0.8	57%	0.566	S	S	*	*			trans	-68	127.1	164.6	-68	-176.8	-179.7	179.8	0	107.5	Q465	K463-Q465 PolarHBondContact O-N 3.27Å
464	P	42	Very low	48.9	Very low	122 Å²	122	110.3 Å²	110.3	79%	0.792	59%	0.588	S	S	*	*			trans	-59.9	107.3	175.1	22.4	-30.1	0	0	0	108.4	Q466	P464-Q466 PolarHBondContact O-N 3.41Å; P464-Q466 VanDerWaalsContact O-N 3.08Å
465	Q	42.1	Very low	47.8	Very low	163 Å²	163	115.2 Å²	115.2	76%	0.762	61%	0.608	S	S	*	*			trans	-66.9	108.4	158.7	-84.5	-174.6	-7.7	0	0	105.1	K463	K463-Q465 PolarHBondContact O-N 3.27Å
466	Q	40.6	Very low	47.2	Very low	167 Å²	167	125.9 Å²	125.9	78%	0.78	65%	0.648	S	S	*	*			trans	-56.8	128.2	165.2	-68.4	-146	-4.2	0	0	106.3	P464 I468	P464-Q466 PolarHBondContact O-N 3.41Å; P464-Q466 VanDerWaalsContact O-N 3.08Å; Q466-I468 PolarHBondContact O-N 3.4Å
467	P	41.1	Very low	47.9	Very low	70 Å²	70	124.2 Å²	124.2	46%	0.455	64%	0.644	S	S	.	*			trans	-50.1	125.6	169.5	21	-31.8	0	0	0	106.7	F469	P467-F469 HydrophobicContact CB-CD2 4.2Å; P467-F469 HydrophobicContact CB-CE2 4.18Å; P467-F469 HydrophobicContact CG-CD2 3.77Å; P467-F469 HydrophobicContact CG-CE2 3.4Å; P467-F469 HydrophobicContact CG-CZ 4.11Å; P467-F469 WeakPolarHBondContact O-CD2 3.13Å; P467-F469 PolarHBondContact O-N 2.96Å
468	I	37.3	Very low	49.4	Very low	160 Å²	160	126.6 Å²	126.6	82%	0.821	65%	0.651	S	S	*	*			trans	-67.7	84.5	166.6	-59.2	175.1	0	0	0	104	Q466 V470	Q466-I468 PolarHBondContact O-N 3.4Å; I468-V470 VanDerWaalsContact C-N 3.34Å; I468-V470 PolarHBondContact O-N 3.44Å
469	F	40.5	Very low	51.3	Low	135 Å²	135	126.3 Å²	126.3	59%	0.592	65%	0.646	S	S	*	*			trans	-58.8	107	165.2	-80.5	-83.1	0	0	0	105	P467 N471	P467-F469 HydrophobicContact CB-CD2 4.2Å; P467-F469 HydrophobicContact CB-CE2 4.18Å; P467-F469 HydrophobicContact CG-CD2 3.77Å; P467-F469 HydrophobicContact CG-CE2 3.4Å; P467-F469 HydrophobicContact CG-CZ 4.11Å; P467-F469 WeakPolarHBondContact O-CD2 3.13Å; P467-F469 PolarHBondContact O-N 2.96Å; F469-N471 HydrophobicContact CB-CB 4.32Å; F469-N471 WeakPolarHBondContact CD1-OD1 3.47Å; F469-N471 PolarHBondContact O-N 2.98Å
470	V	37.2	Very low	53.2	Low	122 Å²	122	129.9 Å²	129.9	74%	0.739	66%	0.66	S	S	*	*			trans	-68.8	74.9	142	-173.3	0	0	0	0	104.4	I468 R472	I468-V470 VanDerWaalsContact C-N 3.34Å; I468-V470 PolarHBondContact O-N 3.44Å; V470-R472 PolarHBondContact O-N 3.28Å
471	N	34.3	Very low	55.4	Low	114 Å²	114	127.1 Å²	127.1	61%	0.61	64%	0.637	S	S	*	*			trans	-60.5	90.9	157.2	-83.4	-24.5	0	0	0	103.5	F469 G473	F469-N471 HydrophobicContact CB-CB 4.32Å; F469-N471 WeakPolarHBondContact CD1-OD1 3.47Å; F469-N471 PolarHBondContact O-N 2.98Å; N471-G473 PolarHBondContact O-N 2.91Å
472	R	41.4	Very low	57.9	Low	232 Å²	232	125.4 Å²	125.4	88%	0.875	62%	0.623	S	S	*	*			trans	-55	95.6	133.4	-74.3	-173.6	178.4	-176.3	0.1	102.3	V470	V470-R472 PolarHBondContact O-N 3.28Å
473	G	41	Very low	60	Low	46 Å²	46	123.9 Å²	123.9	47%	0.474	61%	0.611	S	S	.	*			trans	-46.9	143.5	-179.3	0	0	0	0	0	107.6	N471 K475	N471-G473 PolarHBondContact O-N 2.91Å; G473-K475 PolarHBondContact O-N 3.44Å
474	P	53.6	Low	62.5	Low	121 Å²	121	116.3 Å²	116.3	79%	0.786	58%	0.577	S	S	*	*			trans	-48.1	114.3	-178.4	18.8	-30.4	0	0	0	107.1	R476	P474-R476 PolarHBondContact O-N 2.97Å
475	K	61.9	Low	65	Low	167 Å²	167	110.5 Å²	110.5	73%	0.726	54%	0.539	S	S	*	.			trans	-55.4	122.2	179.7	-175.2	-172.8	175.4	-156.1	0	104.2	G473 P477	G473-K475 PolarHBondContact O-N 3.44Å; K475-P477 VanDerWaalsContact O-CD 3.24Å; K475-P477 WeakPolarHBondContact O-CD 3.4Å; K475-P477 VanDerWaalsContact O-N 3.13Å
476	R	70.8	Confident	67.4	Low	230 Å²	230	105.3 Å²	105.3	87%	0.868	51%	0.513	S	S	*	.			trans	-60.2	123.7	179.4	-74.6	-173.6	-179	-178.7	0.8	107.1	P474 K478	P474-R476 PolarHBondContact O-N 2.97Å; R476-K478 PolarHBondContact O-N 2.97Å
477	P	80.9	Confident	69.9	Low	48 Å²	48	97.3 Å²	97.3	31%	0.312	48%	0.476	S	S	.	.			trans	-39	130	170	-41.9	44.3	0	0	0	112.9	K475 V479 N524 E526	K475-P477 VanDerWaalsContact O-CD 3.24Å; K475-P477 WeakPolarHBondContact O-CD 3.4Å; K475-P477 VanDerWaalsContact O-N 3.13Å; P477-V479 PolarHBondContact O-N 2.95Å; P477-N524 HydrophobicContact CB-CB 3.7Å; P477-N524 WeakPolarHBondContact CB-ND2 3.37Å; P477-E526 WeakPolarHBondContact CA-OE2 3.46Å; P477-E526 WeakPolarHBondContact CB-OE2 3.49Å; P477-E526 VanDerWaalsContact CG-OE2 3.25Å; P477-E526 WeakPolarHBondContact CG-OE2 3.37Å
478	K	88.1	Confident	72.3	Confident	137 Å²	137	96.6 Å²	96.6	60%	0.596	47%	0.468	S	S	*	.			trans	-63.7	125.3	167.6	-173	-179.6	175.9	-173.9	0	108.9	R476 L480 N524 E525	R476-K478 PolarHBondContact O-N 2.97Å; K478-L480 PolarHBondContact O-N 3.49Å; K478-N524 CarbonylContact O-C 3.49Å; K478-N524 WeakPolarHBondContact O-CA 3.33Å; K478-E525 HydrophobicContact CB-CB 4.28Å; K478-E525 VanDerWaalsContact CB-CD 3.4Å; K478-E525 HydrophobicContact CB-CG 4.02Å; K478-E525 WeakPolarHBondContact CB-OE1 3.36Å; K478-E525 WeakPolarHBondContact CB-OE2 3.5Å; K478-E525 PolarHBondContact N-OE1 3.08Å; K478-E525 PolarHBondContact O-N 2.74Å
479	V	91.2	Very high	74.8	Confident	76 Å²	76	94.3 Å²	94.3	46%	0.461	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	123.2	171.8	176	0	0	0	0	108.6	P477 I522	P477-V479 PolarHBondContact O-N 2.95Å; V479-I522 HydrophobicContact CB-CG2 4.3Å; V479-I522 HydrophobicContact CG1-CG2 3.82Å; V479-I522 HydrophobicContact CG2-CG2 3.7Å
480	L	91.6	Very high	77	Confident	93 Å²	93	89.4 Å²	89.4	49%	0.487	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-44	174.4	-61.5	-176.7	0	0	0	110.7	K478 Y523 N524 E525	K478-L480 PolarHBondContact O-N 3.49Å; L480-Y523 HydrophobicContact CB-CD1 4.32Å; L480-Y523 HydrophobicContact CD1-CD1 4.18Å; L480-Y523 HydrophobicContact CD1-CE1 4.16Å; L480-Y523 PolarHBondContact N-O 3.45Å; L480-N524 WeakPolarHBondContact CD1-O 3.44Å; L480-E525 HydrophobicContact CD2-CB 4.34Å; L480-E525 HydrophobicContact CG-CB 4.48Å
481	Q	92.9	Very high	79.5	Confident	58 Å²	58	89 Å²	89	27%	0.271	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	151	-176.1	-165.6	173.7	4	0	0	111	Y523 L606 E607	Q481-Y523 PolarHBondContact N-O 2.93Å; Q481-Y523 VanDerWaalsContact N-O 3.1Å; Q481-Y523 PolarHBondContact O-N 2.89Å; Q481-L606 HydrophobicContact CB-CD2 3.96Å; Q481-L606 HydrophobicContact CG-CD2 3.9Å; Q481-L606 HydrophobicContact CG-CG 4.14Å; Q481-L606 PolarHBondContact NE2-O 2.92Å; Q481-E607 PolarHBondContact NE2-O 3.46Å
482	R	93.9	Very high	82.2	Confident	152 Å²	152	86.1 Å²	86.1	57%	0.574	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	123.9	176.7	180	179.1	-177.1	174.7	0.9	109.6	I520 W521 I522	R482-I520 HydrophobicContact CG-CG2 3.7Å; R482-W521 WeakPolarHBondContact CA-O 3.43Å; R482-I522 HydrophobicContact CB-CG1 4.47Å; R482-I522 HydrophobicContact CG-CG1 4.03Å
483	G	94.3	Very high	84.7	Confident	5 Å²	5	75.1 Å²	75.1	5%	0.052	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.4	-176.7	-177.7	0	0	0	0	0	112.5	W521 L606	G483-W521 PolarHBondContact N-O 2.97Å; G483-W521 WeakPolarHBondContact O-CA 3.45Å; G483-W521 PolarHBondContact O-N 2.97Å; G483-L606 WeakPolarHBondContact O-CD1 3.43Å
484	R	94.9	Very high	87.3	Confident	24 Å²	24	72.9 Å²	72.9	9%	0.091	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	142.6	171.2	-60.2	170.7	-176.5	70.5	11.6	110	D513 Y514 Q519 I520 L606 E607	R484-D513 PolarHBondContact NE-O 3.46Å; R484-D513 PolarHBondContact NH2-O 3.33Å; R484-Y514 PolarHBondContact NH2-O 3.18Å; R484-Q519 HydrophobicContact CG-CB 4.21Å; R484-I520 HydrophobicContact CG-CD1 3.95Å; R484-L606 WeakPolarHBondContact O-CA 3.18Å; R484-E607 HydrophobicContact CB-CG 4.33Å; R484-E607 WeakPolarHBondContact CB-OE2 3.48Å; R484-E607 WeakPolarHBondContact CG-OE2 3.26Å; R484-E607 PolarHBondContact N-OE2 2.65Å; R484-E607 VanDerWaalsContact N-OE2 3.14Å; R484-E607 IonicContact NH1-OE2 3.15Å; R484-E607 PolarHBondContact NH1-OE2 2.81Å; R484-E607 VanDerWaalsContact NH1-OE2 3.15Å; R484-E607 PolarHBondContact O-N 2.87Å
485	L	95.1	Very high	89.2	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	103.4	175.2	-179.2	61.6	0	0	0	108.2	C493 L494 W521 L529 F564 L570 W604 H605 L606	L485-C493 CarbonylContact O-C 3.57Å; L485-C493 WeakPolarHBondContact O-CA 3.39Å; L485-L494 HydrophobicContact CB-CB 4.39Å; L485-L494 HydrophobicContact CD2-CB 4.27Å; L485-L494 HydrophobicContact CD2-CD2 3.69Å; L485-L494 HydrophobicContact CG-CB 4.36Å; L485-L494 PolarHBondContact O-N 2.82Å; L485-W521 HydrophobicContact CB-CG 4.09Å; L485-L529 HydrophobicContact CD2-CD1 4.09Å; L485-F564 HydrophobicContact CD1-CE1 3.95Å; L485-F564 HydrophobicContact CD1-CZ 4.01Å; L485-L570 HydrophobicContact CD2-CD2 3.71Å; L485-W604 HydrophobicContact CD1-CB 4.06Å; L485-W604 HydrophobicContact CG-CE3 4.25Å; L485-H605 CarbonylContact C-O 3.51Å; L485-H605 WeakPolarHBondContact CA-O 3.25Å; L485-L606 HydrophobicContact CB-CD1 4.19Å; L485-L606 HydrophobicContact CD1-CB 4.23Å
486	Y	93.1	Very high	90.7	Very high	54 Å²	54	59.8 Å²	59.8	21%	0.212	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	149.5	-177.3	66.3	-92.5	0	0	0	112.9	L488 K492 W604 H605 E607	Y486-L488 HydrophobicContact CD2-CD2 4.13Å; Y486-L488 HydrophobicContact CE2-CD2 3.54Å; Y486-K492 CarbonylContact C-O 3.56Å; Y486-K492 VanDerWaalsContact CA-O 3.31Å; Y486-K492 WeakPolarHBondContact CA-O 3.37Å; Y486-W604 WeakPolarHBondContact O-CA 3.48Å; Y486-H605 WeakPolarHBondContact CD1-O 3.43Å; Y486-H605 HydrophobicContact CD2-CB 4.45Å; Y486-H605 HydrophobicContact CE1-CB 4.07Å; Y486-H605 AromaticContact CE1-CD2 3.39Å; Y486-H605 WeakPolarHBondContact CE1-CD2 3.36Å; Y486-H605 HydrophobicContact CE2-CB 3.93Å; Y486-H605 AromaticContact CZ-CD2 3.38Å; Y486-H605 AromaticContact CZ-CG 3.78Å; Y486-H605 PolarHBondContact N-O 3.24Å; Y486-H605 PolarHBondContact O-N 3.32Å; Y486-H605 PolarHBondContact OH-CD2 2.85Å; Y486-E607 HydrophobicContact CD1-CG 3.91Å; Y486-E607 HydrophobicContact CE1-CG 3.65Å
487	H	93	Very high	91.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125	177.6	179.2	-108.1	0	0	0	110.2	Q489 T490 N491 K492 L509 S600 S601 Q603 W604	H487-Q489 PolarHBondContact O-N 3.27Å; H487-T490 PolarHBondContact ND1-N 2.81Å; H487-T490 PolarHBondContact ND1-OG1 3.27Å; H487-T490 PolarHBondContact O-N 2.79Å; H487-N491 WeakPolarHBondContact O-CA 3.21Å; H487-N491 PolarHBondContact O-N 3.39Å; H487-K492 PolarHBondContact N-O 3.28Å; H487-L509 HydrophobicContact CB-CD2 4.11Å; H487-S600 PolarHBondContact NE2-O 3.16Å; H487-S601 VanDerWaalsContact NE2-C 3.27Å; H487-S601 WeakPolarHBondContact NE2-CA 3.46Å; H487-S601 PolarHBondContact NE2-O 3.08Å; H487-S601 VanDerWaalsContact NE2-O 3.16Å; H487-Q603 PolarHBondContact CD2-O 2.92Å; H487-Q603 VanDerWaalsContact CD2-O 3.31Å; H487-W604 HydrophobicContact CB-CD2 4.45Å; H487-W604 HydrophobicContact CB-CE3 3.9Å; H487-W604 HydrophobicContact CB-CH2 4.07Å; H487-W604 HydrophobicContact CB-CZ3 3.71Å; H487-W604 AromaticContact CD2-CE2 3.99Å
488	L	91.1	Very high	92	Very high	54 Å²	54	54.1 Å²	54.1	28%	0.283	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-34.4	-168.1	-67.3	-172.2	0	0	0	113.9	Y486 N568 Q603 H605	Y486-L488 HydrophobicContact CD2-CD2 4.13Å; Y486-L488 HydrophobicContact CE2-CD2 3.54Å; L488-N568 HydrophobicContact CD1-CB 4.46Å; L488-Q603 HydrophobicContact CB-CB 4.13Å; L488-Q603 HydrophobicContact CD1-CB 3.82Å; L488-Q603 HydrophobicContact CG-CB 4.1Å; L488-Q603 PolarHBondContact N-O 3.37Å; L488-H605 HydrophobicContact CD2-CB 3.73Å
489	Q	89.2	Confident	92.1	Very high	112 Å²	112	56.8 Å²	56.8	52%	0.523	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-29.2	-177.4	-174	178.5	9.3	0	0	113	H487 S600	H487-Q489 PolarHBondContact O-N 3.27Å; Q489-S600 PolarHBondContact OE1-OG 2.95Å
490	T	87.9	Confident	92.1	Very high	32 Å²	32	53.7 Å²	53.7	20%	0.196	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-13	-173	56.4	0	0	0	0	113.8	H487 K492 P584	H487-T490 PolarHBondContact ND1-N 2.81Å; H487-T490 PolarHBondContact ND1-OG1 3.27Å; H487-T490 PolarHBondContact O-N 2.79Å; T490-K492 PolarHBondContact O-N 3.05Å; T490-K492 VanDerWaalsContact O-N 3.15Å; T490-P584 HydrophobicContact CG2-CB 3.28Å
491	N	89.3	Confident	92.1	Very high	114 Å²	114	52.9 Å²	52.9	61%	0.61	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	30	-171	-63.8	-30.7	0	0	0	113.2	H487	H487-N491 WeakPolarHBondContact O-CA 3.21Å; H487-N491 PolarHBondContact O-N 3.39Å
492	K	91.9	Very high	92.2	Very high	54 Å²	54	55.1 Å²	55.1	24%	0.235	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	146.2	174.8	-71	178.5	-176.7	169.6	0	109.9	Y486 H487 T490 L509 K510 P584	Y486-K492 CarbonylContact C-O 3.56Å; Y486-K492 VanDerWaalsContact CA-O 3.31Å; Y486-K492 WeakPolarHBondContact CA-O 3.37Å; H487-K492 PolarHBondContact N-O 3.28Å; T490-K492 PolarHBondContact O-N 3.05Å; T490-K492 VanDerWaalsContact O-N 3.15Å; K492-L509 HydrophobicContact CB-CB 4.04Å; K492-L509 HydrophobicContact CB-CD2 4.1Å; K492-L509 HydrophobicContact CD-CB 4.19Å; K492-K510 CarbonylContact C-O 3.58Å; K492-K510 VanDerWaalsContact CA-O 3.27Å; K492-K510 WeakPolarHBondContact CA-O 3.43Å; K492-K510 VanDerWaalsContact CB-O 3.25Å; K492-K510 WeakPolarHBondContact CB-O 3.45Å; K492-P584 PolarHBondContact NZ-O 2.76Å
493	C	93.7	Very high	92.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	141.5	-179.7	-76.6	0	0	0	0	111.1	L485 V495 L509 K510 C512	L485-C493 CarbonylContact O-C 3.57Å; L485-C493 WeakPolarHBondContact O-CA 3.39Å; C493-V495 HydrophobicContact CB-CG1 4.3Å; C493-L509 WeakPolarHBondContact O-CA 3.46Å; C493-K510 PolarHBondContact N-O 2.93Å; C493-K510 PolarHBondContact O-N 2.84Å; C493-C512 HydrophobicContact CB-CB 4.08Å; C493-C512 WeakPolarHBondContact CB-SG 3.28Å; C493-C512 PolarHBondContact N-SG 3.37Å; C493-C512 VanDerWaalsContact SG-CA 3.59Å; C493-C512 WeakPolarHBondContact SG-CB 3.16Å; C493-C512 CovalentContact SG-SG 2.04Å; C493-C512 PolarHBondContact SG-SG 3.27Å
494	L	94.4	Very high	92	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	123.2	170.9	-168.9	72.6	0	0	0	109.1	L485 V507 V508 W521 L537 L579 V591 W604	L485-L494 HydrophobicContact CB-CB 4.39Å; L485-L494 HydrophobicContact CD2-CB 4.27Å; L485-L494 HydrophobicContact CD2-CD2 3.69Å; L485-L494 HydrophobicContact CG-CB 4.36Å; L485-L494 PolarHBondContact O-N 2.82Å; L494-V507 HydrophobicContact CD1-CB 4.01Å; L494-V507 HydrophobicContact CD1-CG2 3.97Å; L494-V507 HydrophobicContact CD2-CG2 4.43Å; L494-V507 HydrophobicContact CG-CB 4.19Å; L494-V507 HydrophobicContact CG-CG2 4.4Å; L494-V508 WeakPolarHBondContact CA-O 3.29Å; L494-W521 HydrophobicContact CD2-CH2 4.4Å; L494-W521 HydrophobicContact CD2-CZ2 3.84Å; L494-W521 HydrophobicContact CG-CZ2 4.06Å; L494-W521 PolarHBondContact O-NE1 2.85Å; L494-L537 HydrophobicContact CD2-CD2 4.24Å; L494-L579 HydrophobicContact CD1-CD2 4.4Å; L494-L579 HydrophobicContact CD2-CD2 4Å; L494-V591 HydrophobicContact CD1-CG1 3.83Å; L494-V591 HydrophobicContact CD1-CG2 4.06Å; L494-W604 HydrophobicContact CB-CZ3 4.03Å; L494-W604 HydrophobicContact CD1-CH2 4.14Å; L494-W604 HydrophobicContact CD1-CZ3 4.28Å
495	V	93.9	Very high	91.9	Very high	6 Å²	6	55 Å²	55	4%	0.036	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	165	-175.2	-58.4	0	0	0	0	111	C493 V507 V508 K510 Q519	C493-V495 HydrophobicContact CB-CG1 4.3Å; V495-V507 CarbonylContact O-C 3.56Å; V495-V507 VanDerWaalsContact O-CA 3.23Å; V495-V507 WeakPolarHBondContact O-CA 3.46Å; V495-V508 HydrophobicContact CG2-CG2 4.05Å; V495-V508 PolarHBondContact N-O 3.3Å; V495-V508 PolarHBondContact O-N 3.3Å; V495-K510 HydrophobicContact CG2-CB 3.77Å; V495-K510 HydrophobicContact CG2-CD 3.69Å; V495-K510 HydrophobicContact CG2-CG 3.57Å; V495-Q519 HydrophobicContact CG1-CB 3.93Å; V495-Q519 HydrophobicContact CG1-CG 3.53Å
496	A	93.6	Very high	91.7	Very high	6 Å²	6	58.1 Å²	58.1	5%	0.05	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	139.3	168.5	0	0	0	0	0	110.9	G498 P500 L531 L550	A496-G498 VanDerWaalsContact C-N 3.32Å; A496-P500 HydrophobicContact CB-CG 4.27Å; A496-L531 HydrophobicContact CB-CD2 3.81Å; A496-L550 HydrophobicContact CB-CD1 3.77Å
497	Q	90.1	Very high	91.7	Very high	114 Å²	114	55.8 Å²	55.8	53%	0.533	29%	0.294	S	S	.	.	S	Bend	trans	-62.5	-43.8	171.7	-171.3	-179.9	8.2	0	0	110.8	L506 V508 K510	Q497-L506 WeakPolarHBondContact CB-O 3.37Å; Q497-L506 PolarHBondContact N-O 2.73Å; Q497-V508 HydrophobicContact CB-CG1 4.03Å; Q497-V508 HydrophobicContact CB-CG2 4.17Å; Q497-V508 HydrophobicContact CG-CG1 4.12Å; Q497-K510 PolarHBondContact O-NZ 2.87Å
498	G	89	Confident	91.7	Very high	45 Å²	45	56.6 Å²	56.6	46%	0.464	30%	0.299	S	S	.	.	S	Bend	trans	-109.1	-130.2	175.3	0	0	0	0	0	112.4	A496	A496-G498 VanDerWaalsContact C-N 3.32Å
499	R	90.9	Very high	91.7	Very high	193 Å²	193	54.3 Å²	54.3	73%	0.728	29%	0.287	S	S	*	.			trans	-83.4	137.7	178.5	-62.7	179.8	-176.1	174.1	0.9	110.5	S501 Q502	R499-S501 PolarHBondContact O-N 2.81Å; R499-S501 VanDerWaalsContact O-N 3.08Å; R499-Q502 HydrophobicContact CB-CB 4.48Å; R499-Q502 VanDerWaalsContact O-CB 3.25Å; R499-Q502 WeakPolarHBondContact O-CB 3.43Å; R499-Q502 PolarHBondContact O-N 3.17Å
500	P	90.8	Very high	91.8	Very high	12 Å²	12	53.5 Å²	53.5	8%	0.078	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21	175.5	-27.6	36.2	0	0	0	115	A496 Q502 N518 L531 N532 L534 L535	A496-P500 HydrophobicContact CB-CG 4.27Å; P500-Q502 VanDerWaalsContact C-N 3.34Å; P500-N518 HydrophobicContact CG-CB 3.65Å; P500-N518 WeakPolarHBondContact CG-OD1 3.35Å; P500-L531 HydrophobicContact CB-CD2 3.98Å; P500-L531 HydrophobicContact CB-CG 4.13Å; P500-L531 HydrophobicContact CG-CD2 4.29Å; P500-N532 HydrophobicContact CB-CB 4.02Å; P500-N532 HydrophobicContact CG-CB 4.44Å; P500-L534 HydrophobicContact CB-CD1 4.37Å; P500-L535 VanDerWaalsContact O-CD1 3.31Å; P500-L535 WeakPolarHBondContact O-CD1 2.97Å; P500-L535 WeakPolarHBondContact O-CG 3.25Å
501	S	91.7	Very high	91.9	Very high	75 Å²	75	55.6 Å²	55.6	52%	0.524	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-5.6	175.8	55.7	0	0	0	0	114.2	R499 K503	R499-S501 PolarHBondContact O-N 2.81Å; R499-S501 VanDerWaalsContact O-N 3.08Å; S501-K503 PolarHBondContact O-N 2.99Å
502	Q	93.9	Very high	92	Very high	105 Å²	105	51.8 Å²	51.8	49%	0.491	29%	0.285	S	S	.	.			trans	-79.2	106.4	-176.6	-174.8	177.2	-4.6	0	0	111	R499 P500 G504 G505	R499-Q502 HydrophobicContact CB-CB 4.48Å; R499-Q502 VanDerWaalsContact O-CB 3.25Å; R499-Q502 WeakPolarHBondContact O-CB 3.43Å; R499-Q502 PolarHBondContact O-N 3.17Å; P500-Q502 VanDerWaalsContact C-N 3.34Å; Q502-G504 PolarHBondContact O-N 3.45Å; Q502-G505 PolarHBondContact O-N 3.3Å
503	K	93	Very high	92.1	Very high	133 Å²	133	52.5 Å²	52.5	58%	0.578	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	131.7	172.9	-174.1	-175.6	176.5	-171.5	0	110.5	S501 M551	S501-K503 PolarHBondContact O-N 2.99Å; K503-M551 VanDerWaalsContact CE-CE 3.41Å; K503-M551 HydrophobicContact CG-CE 4.34Å; K503-M551 HydrophobicContact CG-SD 3.77Å
504	G	91.9	Very high	91.8	Very high	37 Å²	37	60.6 Å²	60.6	38%	0.381	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	4	-174.9	0	0	0	0	0	114.1	Q502 L550	Q502-G504 PolarHBondContact O-N 3.45Å; G504-L550 PolarHBondContact N-O 3.46Å
505	G	91.6	Very high	91.7	Very high	9 Å²	9	65.3 Å²	65.3	9%	0.093	36%	0.356	C	S	.	.			trans	-66	136.5	176.7	0	0	0	0	0	111.6	Q502 R549 L550	Q502-G505 PolarHBondContact O-N 3.3Å; G505-R549 CarbonylContact O-C 3.6Å; G505-R549 VanDerWaalsContact O-CA 3.31Å; G505-R549 WeakPolarHBondContact O-CA 3.43Å; G505-L550 PolarHBondContact O-N 2.91Å
506	L	92.4	Very high	91.5	Very high	65 Å²	65	67 Å²	67	34%	0.34	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-75.6	158.9	176.8	-58.1	-178.3	0	0	0	111.5	Q497 P547 R549	Q497-L506 WeakPolarHBondContact CB-O 3.37Å; Q497-L506 PolarHBondContact N-O 2.73Å; L506-P547 HydrophobicContact CD1-CG 4.33Å; L506-P547 HydrophobicContact CD2-CB 4.25Å; L506-P547 HydrophobicContact CD2-CG 3.71Å; L506-R549 HydrophobicContact CD2-CB 4.3Å
507	V	93.2	Very high	91.3	Very high	6 Å²	6	70.3 Å²	70.3	4%	0.036	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	148.6	170.7	-65.1	0	0	0	0	111.5	L494 V495 W521 L537 P548 L550 V591	L494-V507 HydrophobicContact CD1-CB 4.01Å; L494-V507 HydrophobicContact CD1-CG2 3.97Å; L494-V507 HydrophobicContact CD2-CG2 4.43Å; L494-V507 HydrophobicContact CG-CB 4.19Å; L494-V507 HydrophobicContact CG-CG2 4.4Å; V495-V507 CarbonylContact O-C 3.56Å; V495-V507 VanDerWaalsContact O-CA 3.23Å; V495-V507 WeakPolarHBondContact O-CA 3.46Å; V507-W521 HydrophobicContact CG1-CH2 4.21Å; V507-W521 HydrophobicContact CG1-CZ2 4.38Å; V507-L537 HydrophobicContact CB-CD1 4.46Å; V507-L537 HydrophobicContact CG1-CD1 3.84Å; V507-L537 HydrophobicContact CG2-CD1 3.81Å; V507-P548 HydrophobicContact CG2-CB 3.99Å; V507-P548 HydrophobicContact CG2-CG 3.68Å; V507-L550 HydrophobicContact CG1-CD1 4.49Å; V507-L550 HydrophobicContact CG1-CD2 4.11Å; V507-L550 HydrophobicContact CG1-CG 4.07Å; V507-V591 HydrophobicContact CG2-CG2 3.77Å
508	V	92.1	Very high	91.4	Very high	16 Å²	16	67.7 Å²	67.7	10%	0.097	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	169.1	-176.8	-64.6	0	0	0	0	110.2	L494 V495 Q497 K510	L494-V508 WeakPolarHBondContact CA-O 3.29Å; V495-V508 HydrophobicContact CG2-CG2 4.05Å; V495-V508 PolarHBondContact N-O 3.3Å; V495-V508 PolarHBondContact O-N 3.3Å; Q497-V508 HydrophobicContact CB-CG1 4.03Å; Q497-V508 HydrophobicContact CB-CG2 4.17Å; Q497-V508 HydrophobicContact CG-CG1 4.12Å; V508-K510 HydrophobicContact CG2-CG 4.3Å
509	L	91.4	Very high	91.6	Very high	7 Å²	7	66 Å²	66	4%	0.037	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.1	172.9	-72.5	171.5	0	0	0	110.8	H487 K492 C493 A581 G589 V591 W604	H487-L509 HydrophobicContact CB-CD2 4.11Å; K492-L509 HydrophobicContact CB-CB 4.04Å; K492-L509 HydrophobicContact CB-CD2 4.1Å; K492-L509 HydrophobicContact CD-CB 4.19Å; C493-L509 WeakPolarHBondContact O-CA 3.46Å; L509-A581 HydrophobicContact CD1-CB 3.65Å; L509-G589 WeakPolarHBondContact CB-O 3.47Å; L509-G589 PolarHBondContact N-O 2.84Å; L509-V591 HydrophobicContact CD1-CG1 4.21Å; L509-V591 HydrophobicContact CG-CG1 3.95Å; L509-W604 HydrophobicContact CD1-CH2 4.37Å; L509-W604 HydrophobicContact CD2-CH2 3.59Å; L509-W604 HydrophobicContact CD2-CZ3 3.62Å; L509-W604 HydrophobicContact CG-CH2 4.22Å
510	K	90.3	Very high	91.8	Very high	94 Å²	94	58 Å²	58	41%	0.409	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	166.4	170.3	-66.2	-171.2	-169.7	159.2	0	110.9	K492 C493 V495 Q497 V508 C512	K492-K510 CarbonylContact C-O 3.58Å; K492-K510 VanDerWaalsContact CA-O 3.27Å; K492-K510 WeakPolarHBondContact CA-O 3.43Å; K492-K510 VanDerWaalsContact CB-O 3.25Å; K492-K510 WeakPolarHBondContact CB-O 3.45Å; C493-K510 PolarHBondContact N-O 2.93Å; C493-K510 PolarHBondContact O-N 2.84Å; V495-K510 HydrophobicContact CG2-CB 3.77Å; V495-K510 HydrophobicContact CG2-CD 3.69Å; V495-K510 HydrophobicContact CG2-CG 3.57Å; Q497-K510 PolarHBondContact O-NZ 2.87Å; V508-K510 HydrophobicContact CG2-CG 4.3Å; K510-C512 PolarHBondContact O-N 2.84Å
511	A	91.3	Very high	92.1	Very high	77 Å²	77	57.4 Å²	57.4	64%	0.636	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	136.4	171.8	0	0	0	0	0	110.1	D513 Q519	A511-D513 PolarHBondContact O-N 3.16Å; A511-Q519 PolarHBondContact O-NE2 2.88Å
512	C	91.6	Very high	92.3	Very high	34 Å²	34	54.8 Å²	54.8	23%	0.23	30%	0.303	C	S	.	.			trans	-67.4	123.4	178.3	-65.3	0	0	0	0	110.1	C493 K510	C493-C512 HydrophobicContact CB-CB 4.08Å; C493-C512 WeakPolarHBondContact CB-SG 3.28Å; C493-C512 PolarHBondContact N-SG 3.37Å; C493-C512 VanDerWaalsContact SG-CA 3.59Å; C493-C512 WeakPolarHBondContact SG-CB 3.16Å; C493-C512 CovalentContact SG-SG 2.04Å; C493-C512 PolarHBondContact SG-SG 3.27Å; K510-C512 PolarHBondContact O-N 2.84Å
513	D	92.5	Very high	92.3	Very high	69 Å²	69	50.6 Å²	50.6	37%	0.369	28%	0.283	S	S	.	.			trans	-112.6	115.9	175.3	-175.2	-15.5	0	0	0	109.4	R484 A511 S515 D516	R484-D513 PolarHBondContact NE-O 3.46Å; R484-D513 PolarHBondContact NH2-O 3.33Å; A511-D513 PolarHBondContact O-N 3.16Å; D513-S515 PolarHBondContact O-N 3.1Å; D513-S515 WeakPolarHBondContact OD1-CA 3.49Å; D513-S515 WeakPolarHBondContact OD1-CB 3.43Å; D513-S515 PolarHBondContact OD1-N 3.27Å; D513-S515 PolarHBondContact OD1-OG 2.88Å; D513-S515 PolarHBondContact OD2-OG 2.79Å; D513-D516 HydrophobicContact CB-CB 3.84Å; D513-D516 PolarHBondContact O-N 2.93Å; D513-D516 PolarHBondContact OD1-N 3.44Å
514	Y	88.9	Confident	92.3	Very high	169 Å²	169	44.5 Å²	44.5	66%	0.663	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.9	-177.8	-67.9	-84.3	0	0	0	113.5	R484	R484-Y514 PolarHBondContact NH2-O 3.18Å
515	S	90.7	Very high	92.2	Very high	99 Å²	99	46.2 Å²	46.2	69%	0.692	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-15.7	177.1	71.6	0	0	0	0	113.9	D513 P517	D513-S515 PolarHBondContact O-N 3.1Å; D513-S515 WeakPolarHBondContact OD1-CA 3.49Å; D513-S515 WeakPolarHBondContact OD1-CB 3.43Å; D513-S515 PolarHBondContact OD1-N 3.27Å; D513-S515 PolarHBondContact OD1-OG 2.88Å; D513-S515 PolarHBondContact OD2-OG 2.79Å; S515-P517 VanDerWaalsContact O-CD 3.26Å; S515-P517 WeakPolarHBondContact O-CD 3.21Å
516	D	90.9	Very high	91.9	Very high	42 Å²	42	48.7 Å²	48.7	23%	0.225	26%	0.263	C	S	.	.			trans	-87.9	110.3	-175.7	-176	9.9	0	0	0	112.3	D513 N518 Q519	D513-D516 HydrophobicContact CB-CB 3.84Å; D513-D516 PolarHBondContact O-N 2.93Å; D513-D516 PolarHBondContact OD1-N 3.44Å; D516-N518 PolarHBondContact O-N 3.08Å; D516-N518 WeakPolarHBondContact OD1-CB 3.25Å; D516-N518 PolarHBondContact OD1-N 3.42Å; D516-N518 PolarHBondContact OD1-ND2 3.47Å; D516-Q519 HydrophobicContact CB-CG 4.05Å; D516-Q519 PolarHBondContact O-N 3.17Å; D516-Q519 WeakPolarHBondContact OD2-CG 3.5Å
517	P	89.8	Confident	91.9	Very high	75 Å²	75	48.9 Å²	48.9	49%	0.487	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-68	-17.4	177.3	29.7	-35.7	0	0	0	112.7	S515 Q519 I520	S515-P517 VanDerWaalsContact O-CD 3.26Å; S515-P517 WeakPolarHBondContact O-CD 3.21Å; P517-Q519 PolarHBondContact O-N 3.2Å; P517-I520 WeakPolarHBondContact O-CB 2.84Å; P517-I520 PolarHBondContact O-N 3.08Å
518	N	92.1	Very high	91.9	Very high	60 Å²	60	48.8 Å²	48.8	32%	0.321	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-72.9	-5.5	179.5	-59	-58.6	0	0	0	113.5	P500 D516 L531 N532	P500-N518 HydrophobicContact CG-CB 3.65Å; P500-N518 WeakPolarHBondContact CG-OD1 3.35Å; D516-N518 PolarHBondContact O-N 3.08Å; D516-N518 WeakPolarHBondContact OD1-CB 3.25Å; D516-N518 PolarHBondContact OD1-N 3.42Å; D516-N518 PolarHBondContact OD1-ND2 3.47Å; N518-L531 VanDerWaalsContact O-CD1 3.23Å; N518-L531 WeakPolarHBondContact O-CD1 3.46Å; N518-N532 PolarHBondContact OD1-ND2 3Å
519	Q	93.8	Very high	92.1	Very high	8 Å²	8	48 Å²	48	4%	0.037	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-99	-1.1	174.3	-48.1	-162.9	3.3	0	0	113.1	R484 V495 A511 D516 P517	R484-Q519 HydrophobicContact CG-CB 4.21Å; V495-Q519 HydrophobicContact CG1-CB 3.93Å; V495-Q519 HydrophobicContact CG1-CG 3.53Å; A511-Q519 PolarHBondContact O-NE2 2.88Å; D516-Q519 HydrophobicContact CB-CG 4.05Å; D516-Q519 PolarHBondContact O-N 3.17Å; D516-Q519 WeakPolarHBondContact OD2-CG 3.5Å; P517-Q519 PolarHBondContact O-N 3.2Å
520	I	95.1	Very high	92.3	Very high	25 Å²	25	48.6 Å²	48.6	13%	0.128	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121.6	-176.2	-57.8	-61.6	0	0	0	110.2	R482 R484 P517 N532	R482-I520 HydrophobicContact CG-CG2 3.7Å; R484-I520 HydrophobicContact CG-CD1 3.95Å; P517-I520 WeakPolarHBondContact O-CB 2.84Å; P517-I520 PolarHBondContact O-N 3.08Å; I520-N532 PolarHBondContact O-N 2.97Å
521	W	96.6	Very high	92.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	145.7	172.1	-66.1	87	0	0	0	110.5	R482 G483 L485 L494 V507 L529 V530 L531 L537 L550 L606	R482-W521 WeakPolarHBondContact CA-O 3.43Å; G483-W521 PolarHBondContact N-O 2.97Å; G483-W521 WeakPolarHBondContact O-CA 3.45Å; G483-W521 PolarHBondContact O-N 2.97Å; L485-W521 HydrophobicContact CB-CG 4.09Å; L494-W521 HydrophobicContact CD2-CH2 4.4Å; L494-W521 HydrophobicContact CD2-CZ2 3.84Å; L494-W521 HydrophobicContact CG-CZ2 4.06Å; L494-W521 PolarHBondContact O-NE1 2.85Å; V507-W521 HydrophobicContact CG1-CH2 4.21Å; V507-W521 HydrophobicContact CG1-CZ2 4.38Å; W521-L529 HydrophobicContact CB-CD2 4.49Å; W521-L529 HydrophobicContact CE3-CB 3.8Å; W521-L529 HydrophobicContact CZ3-CB 4.03Å; W521-L529 WeakPolarHBondContact CZ3-O 3.42Å; W521-V530 CarbonylContact C-O 3.45Å; W521-V530 WeakPolarHBondContact CA-O 3.34Å; W521-L531 HydrophobicContact CD2-CB 4.29Å; W521-L531 HydrophobicContact CD2-CD1 3.86Å; W521-L531 HydrophobicContact CE3-CB 3.89Å; W521-L531 HydrophobicContact CE3-CD1 4.34Å; W521-L531 HydrophobicContact CG-CD1 4.24Å; W521-L531 HydrophobicContact CH2-CB 3.79Å; W521-L531 HydrophobicContact CH2-CD1 4.34Å; W521-L531 HydrophobicContact CH2-CD2 4.25Å; W521-L531 HydrophobicContact CH2-CG 4.34Å; W521-L531 HydrophobicContact CZ2-CB 4.16Å; W521-L531 HydrophobicContact CZ2-CD1 3.83Å; W521-L531 HydrophobicContact CZ2-CD2 4.12Å; W521-L531 HydrophobicContact CZ2-CG 4.25Å; W521-L531 HydrophobicContact CZ3-CB 3.63Å; W521-L537 HydrophobicContact CH2-CB 4.12Å; W521-L537 HydrophobicContact CH2-CD1 4.1Å; W521-L537 HydrophobicContact CH2-CG 4.5Å; W521-L537 HydrophobicContact CZ3-CB 3.84Å; W521-L550 HydrophobicContact CH2-CD2 3.94Å; W521-L550 HydrophobicContact CZ3-CD2 4.37Å; W521-L606 HydrophobicContact CB-CD1 4.03Å
522	I	95.1	Very high	92.5	Very high	21 Å²	21	42.6 Å²	42.6	11%	0.108	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.1	169.9	-66.8	171.3	0	0	0	107.2	V479 R482 L529 V530 S533	V479-I522 HydrophobicContact CB-CG2 4.3Å; V479-I522 HydrophobicContact CG1-CG2 3.82Å; V479-I522 HydrophobicContact CG2-CG2 3.7Å; R482-I522 HydrophobicContact CB-CG1 4.47Å; R482-I522 HydrophobicContact CG-CG1 4.03Å; I522-L529 WeakPolarHBondContact O-CA 3.46Å; I522-V530 HydrophobicContact CB-CB 4.22Å; I522-V530 PolarHBondContact N-O 3.12Å; I522-V530 PolarHBondContact O-N 2.89Å; I522-S533 WeakPolarHBondContact CD1-OG 3.26Å
523	Y	94.8	Very high	92.4	Very high	17 Å²	17	44.6 Å²	44.6	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.2	170.6	-170.1	-118.9	0	0	0	109.6	L480 Q481 H527 E528 L529 W562 F564 L606	L480-Y523 HydrophobicContact CB-CD1 4.32Å; L480-Y523 HydrophobicContact CD1-CD1 4.18Å; L480-Y523 HydrophobicContact CD1-CE1 4.16Å; L480-Y523 PolarHBondContact N-O 3.45Å; Q481-Y523 PolarHBondContact N-O 2.93Å; Q481-Y523 VanDerWaalsContact N-O 3.1Å; Q481-Y523 PolarHBondContact O-N 2.89Å; Y523-H527 HydrophobicContact CE2-CB 4.11Å; Y523-H527 AromaticContact CZ-ND1 3.54Å; Y523-H527 WeakPolarHBondContact OH-CB 3.33Å; Y523-H527 PolarHBondContact OH-ND1 2.93Å; Y523-E528 WeakPolarHBondContact CA-O 3.42Å; Y523-E528 WeakPolarHBondContact CD2-O 3.47Å; Y523-L529 HydrophobicContact CD2-CD2 3.83Å; Y523-L529 HydrophobicContact CD2-CG 4.1Å; Y523-L529 HydrophobicContact CG-CD2 4.45Å; Y523-W562 VanDerWaalsContact CE2-O 3.29Å; Y523-W562 WeakPolarHBondContact CE2-O 3.47Å; Y523-W562 PolarHBondContact OH-O 2.79Å; Y523-F564 HydrophobicContact CD1-CE2 4.46Å; Y523-F564 HydrophobicContact CD2-CE2 4.33Å; Y523-F564 HydrophobicContact CE1-CD2 4.36Å; Y523-F564 HydrophobicContact CE1-CE2 4.44Å; Y523-F564 HydrophobicContact CE2-CE2 4.31Å; Y523-F564 HydrophobicContact CG-CE2 4.39Å; Y523-L606 HydrophobicContact CG-CD2 4.44Å
524	N	92.2	Very high	92.4	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.027	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	175.3	-171.9	70.8	8.3	0	0	0	113.3	P477 K478 L480 E526 H527 E528	P477-N524 HydrophobicContact CB-CB 3.7Å; P477-N524 WeakPolarHBondContact CB-ND2 3.37Å; K478-N524 CarbonylContact O-C 3.49Å; K478-N524 WeakPolarHBondContact O-CA 3.33Å; L480-N524 WeakPolarHBondContact CD1-O 3.44Å; N524-E526 PolarHBondContact O-N 3.09Å; N524-E526 PolarHBondContact OD1-N 2.94Å; N524-H527 PolarHBondContact O-N 2.93Å; N524-H527 PolarHBondContact OD1-N 3.49Å; N524-E528 PolarHBondContact N-O 2.91Å; N524-E528 PolarHBondContact ND2-OE2 2.91Å; N524-E528 WeakPolarHBondContact OD1-CB 3.44Å; N524-E528 PolarHBondContact OD1-N 3.37Å
525	E	89.3	Confident	92.7	Very high	73 Å²	73	38.1 Å²	38.1	34%	0.341	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-20	-177.6	67.8	-174.5	158.9	0	0	114	K478 L480	K478-E525 HydrophobicContact CB-CB 4.28Å; K478-E525 VanDerWaalsContact CB-CD 3.4Å; K478-E525 HydrophobicContact CB-CG 4.02Å; K478-E525 WeakPolarHBondContact CB-OE1 3.36Å; K478-E525 WeakPolarHBondContact CB-OE2 3.5Å; K478-E525 PolarHBondContact N-OE1 3.08Å; K478-E525 PolarHBondContact O-N 2.74Å; L480-E525 HydrophobicContact CD2-CB 4.34Å; L480-E525 HydrophobicContact CG-CB 4.48Å
526	E	86.8	Confident	93	Very high	60 Å²	60	33.4 Å²	33.4	28%	0.28	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	3.3	172	-64.2	78.2	-178.6	0	0	112.8	P477 N524 E528	P477-E526 WeakPolarHBondContact CA-OE2 3.46Å; P477-E526 WeakPolarHBondContact CB-OE2 3.49Å; P477-E526 VanDerWaalsContact CG-OE2 3.25Å; P477-E526 WeakPolarHBondContact CG-OE2 3.37Å; N524-E526 PolarHBondContact O-N 3.09Å; N524-E526 PolarHBondContact OD1-N 2.94Å; E526-E528 VanDerWaalsContact C-N 3.31Å; E526-E528 HydrophobicContact CB-CG 4.25Å; E526-E528 PolarHBondContact O-N 3.33Å
527	H	91.3	Very high	93.2	Very high	69 Å²	69	31.4 Å²	31.4	32%	0.319	17%	0.169	S	C	.	.			trans	63	31.3	-179.6	-55.7	-76.5	0	0	0	114.1	Y523 N524 Q561 W562	Y523-H527 HydrophobicContact CE2-CB 4.11Å; Y523-H527 AromaticContact CZ-ND1 3.54Å; Y523-H527 WeakPolarHBondContact OH-CB 3.33Å; Y523-H527 PolarHBondContact OH-ND1 2.93Å; N524-H527 PolarHBondContact O-N 2.93Å; N524-H527 PolarHBondContact OD1-N 3.49Å; H527-Q561 HydrophobicContact CB-CG 3.94Å; H527-W562 WeakPolarHBondContact CB-O 3.31Å; H527-W562 PolarHBondContact O-N 3.38Å
528	E	93.6	Very high	93.4	Very high	5 Å²	5	28.3 Å²	28.3	2%	0.023	15%	0.149	C	C	.	.			trans	-90.7	147	173.2	-55.8	175.1	132.8	0	0	111.1	Y523 N524 E526 G555 Q560	Y523-E528 WeakPolarHBondContact CA-O 3.42Å; Y523-E528 WeakPolarHBondContact CD2-O 3.47Å; N524-E528 PolarHBondContact N-O 2.91Å; N524-E528 PolarHBondContact ND2-OE2 2.91Å; N524-E528 WeakPolarHBondContact OD1-CB 3.44Å; N524-E528 PolarHBondContact OD1-N 3.37Å; E526-E528 VanDerWaalsContact C-N 3.31Å; E526-E528 HydrophobicContact CB-CG 4.25Å; E526-E528 PolarHBondContact O-N 3.33Å; E528-G555 WeakPolarHBondContact OE1-CA 3.31Å; E528-G555 PolarHBondContact OE1-N 3.12Å; E528-Q560 WeakPolarHBondContact CA-O 3.34Å; E528-Q560 HydrophobicContact CG-CB 4.48Å
529	L	95.7	Very high	93.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	106.6	171.5	-79.3	171	0	0	0	109.5	L485 W521 I522 Y523 C536 L537 W562 L570	L485-L529 HydrophobicContact CD2-CD1 4.09Å; W521-L529 HydrophobicContact CB-CD2 4.49Å; W521-L529 HydrophobicContact CE3-CB 3.8Å; W521-L529 HydrophobicContact CZ3-CB 4.03Å; W521-L529 WeakPolarHBondContact CZ3-O 3.42Å; I522-L529 WeakPolarHBondContact O-CA 3.46Å; Y523-L529 HydrophobicContact CD2-CD2 3.83Å; Y523-L529 HydrophobicContact CD2-CG 4.1Å; Y523-L529 HydrophobicContact CG-CD2 4.45Å; L529-C536 CarbonylContact O-C 3.51Å; L529-C536 WeakPolarHBondContact O-CA 3.39Å; L529-L537 HydrophobicContact CB-CB 4.03Å; L529-L537 HydrophobicContact CD1-CD2 3.99Å; L529-L537 PolarHBondContact O-N 3.45Å; L529-W562 HydrophobicContact CD1-CB 3.94Å; L529-W562 HydrophobicContact CD1-CD2 4.44Å; L529-W562 HydrophobicContact CD1-CG 3.98Å; L529-W562 HydrophobicContact CG-CB 4.29Å; L529-W562 HydrophobicContact CG-CG 4.46Å; L529-L570 HydrophobicContact CD1-CD1 4Å; L529-L570 HydrophobicContact CD1-CD2 3.86Å
530	V	95.6	Very high	92.8	Very high	18 Å²	18	25.5 Å²	25.5	11%	0.109	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117	-177.8	-165.5	0	0	0	0	110.4	W521 I522 L535	W521-V530 CarbonylContact C-O 3.45Å; W521-V530 WeakPolarHBondContact CA-O 3.34Å; I522-V530 HydrophobicContact CB-CB 4.22Å; I522-V530 PolarHBondContact N-O 3.12Å; I522-V530 PolarHBondContact O-N 2.89Å; V530-L535 CarbonylContact C-O 3.53Å; V530-L535 WeakPolarHBondContact CA-O 3.42Å
531	L	95.6	Very high	91.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	127.4	176.1	-173.1	58.2	0	0	0	110.9	A496 P500 N518 W521 S533 L534 L535 L550	A496-L531 HydrophobicContact CB-CD2 3.81Å; P500-L531 HydrophobicContact CB-CD2 3.98Å; P500-L531 HydrophobicContact CB-CG 4.13Å; P500-L531 HydrophobicContact CG-CD2 4.29Å; N518-L531 VanDerWaalsContact O-CD1 3.23Å; N518-L531 WeakPolarHBondContact O-CD1 3.46Å; W521-L531 HydrophobicContact CD2-CB 4.29Å; W521-L531 HydrophobicContact CD2-CD1 3.86Å; W521-L531 HydrophobicContact CE3-CB 3.89Å; W521-L531 HydrophobicContact CE3-CD1 4.34Å; W521-L531 HydrophobicContact CG-CD1 4.24Å; W521-L531 HydrophobicContact CH2-CB 3.79Å; W521-L531 HydrophobicContact CH2-CD1 4.34Å; W521-L531 HydrophobicContact CH2-CD2 4.25Å; W521-L531 HydrophobicContact CH2-CG 4.34Å; W521-L531 HydrophobicContact CZ2-CB 4.16Å; W521-L531 HydrophobicContact CZ2-CD1 3.83Å; W521-L531 HydrophobicContact CZ2-CD2 4.12Å; W521-L531 HydrophobicContact CZ2-CG 4.25Å; W521-L531 HydrophobicContact CZ3-CB 3.63Å; L531-S533 PolarHBondContact O-N 2.94Å; L531-L534 PolarHBondContact O-N 3.46Å; L531-L535 PolarHBondContact N-O 2.92Å; L531-L550 HydrophobicContact CB-CD2 4.07Å; L531-L550 HydrophobicContact CD2-CD1 3.72Å; L531-L550 HydrophobicContact CD2-CD2 4.17Å
532	N	91.3	Very high	89.8	Confident	46 Å²	46	33.4 Å²	33.4	25%	0.246	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	29.7	177.4	-165.3	15.8	0	0	0	113.5	P500 N518 I520 L534	P500-N532 HydrophobicContact CB-CB 4.02Å; P500-N532 HydrophobicContact CG-CB 4.44Å; N518-N532 PolarHBondContact OD1-ND2 3Å; I520-N532 PolarHBondContact O-N 2.97Å; N532-L534 HydrophobicContact CB-CD1 4.33Å; N532-L534 WeakPolarHBondContact O-CG 3.43Å; N532-L534 PolarHBondContact O-N 3.37Å; N532-L534 VanDerWaalsContact O-N 3.16Å
533	S	90	Very high	88.5	Confident	76 Å²	76	40.1 Å²	40.1	53%	0.531	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	23.7	-174.2	-43.8	0	0	0	0	114.8	I522 L531	I522-S533 WeakPolarHBondContact CD1-OG 3.26Å; L531-S533 PolarHBondContact O-N 2.94Å
534	L	91.9	Very high	87.2	Confident	89 Å²	89	40.6 Å²	40.6	47%	0.466	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-62.9	-174.2	-71	170.2	0	0	0	113	P500 L531 N532	P500-L534 HydrophobicContact CB-CD1 4.37Å; L531-L534 PolarHBondContact O-N 3.46Å; N532-L534 HydrophobicContact CB-CD1 4.33Å; N532-L534 WeakPolarHBondContact O-CG 3.43Å; N532-L534 PolarHBondContact O-N 3.37Å; N532-L534 VanDerWaalsContact O-N 3.16Å
535	L	95.4	Very high	86.4	Confident	13 Å²	13	45.3 Å²	45.3	7%	0.068	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	151	-173	-63.8	-173.9	0	0	0	110.6	P500 V530 L531 L550 M551 K552	P500-L535 VanDerWaalsContact O-CD1 3.31Å; P500-L535 WeakPolarHBondContact O-CD1 2.97Å; P500-L535 WeakPolarHBondContact O-CG 3.25Å; V530-L535 CarbonylContact C-O 3.53Å; V530-L535 WeakPolarHBondContact CA-O 3.42Å; L531-L535 PolarHBondContact N-O 2.92Å; L535-L550 HydrophobicContact CB-CB 3.95Å; L535-L550 HydrophobicContact CB-CD2 4.49Å; L535-L550 HydrophobicContact CD1-CB 3.86Å; L535-M551 CarbonylContact C-O 3.46Å; L535-M551 WeakPolarHBondContact CA-O 3.49Å; L535-M551 WeakPolarHBondContact CB-O 3.41Å; L535-K552 HydrophobicContact CD2-CG 4.33Å
536	C	95.4	Very high	86.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	144.7	179	-79	0	0	0	0	111.3	L529 D538 L550 M551 C553 Q560	L529-C536 CarbonylContact O-C 3.51Å; L529-C536 WeakPolarHBondContact O-CA 3.39Å; C536-D538 PolarHBondContact O-N 2.92Å; C536-L550 WeakPolarHBondContact O-CA 3.24Å; C536-M551 PolarHBondContact N-O 2.86Å; C536-M551 PolarHBondContact O-N 3.18Å; C536-C553 HydrophobicContact CB-CB 4.02Å; C536-C553 WeakPolarHBondContact CB-SG 3.47Å; C536-C553 PolarHBondContact N-SG 3.32Å; C536-C553 VanDerWaalsContact SG-CA 3.51Å; C536-C553 WeakPolarHBondContact SG-CB 3.34Å; C536-C553 CovalentContact SG-SG 2.03Å; C536-C553 PolarHBondContact SG-SG 3.26Å; C536-Q560 HydrophobicContact CB-CG 4.33Å
537	L	95.8	Very high	86.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	126	167.5	-169.4	64.2	0	0	0	109.4	L494 V507 W521 L529 P548 W562	L494-L537 HydrophobicContact CD2-CD2 4.24Å; V507-L537 HydrophobicContact CB-CD1 4.46Å; V507-L537 HydrophobicContact CG1-CD1 3.84Å; V507-L537 HydrophobicContact CG2-CD1 3.81Å; W521-L537 HydrophobicContact CH2-CB 4.12Å; W521-L537 HydrophobicContact CH2-CD1 4.1Å; W521-L537 HydrophobicContact CH2-CG 4.5Å; W521-L537 HydrophobicContact CZ3-CB 3.84Å; L529-L537 HydrophobicContact CB-CB 4.03Å; L529-L537 HydrophobicContact CD1-CD2 3.99Å; L529-L537 PolarHBondContact O-N 3.45Å; L537-P548 HydrophobicContact CD1-CB 3.96Å; L537-W562 HydrophobicContact CB-CZ2 4.33Å; L537-W562 HydrophobicContact CD2-CD2 4.01Å; L537-W562 HydrophobicContact CD2-CE3 4.33Å; L537-W562 HydrophobicContact CD2-CH2 3.93Å; L537-W562 HydrophobicContact CD2-CZ2 3.6Å; L537-W562 HydrophobicContact CD2-CZ3 4.27Å; L537-W562 HydrophobicContact CG-CH2 4.19Å; L537-W562 HydrophobicContact CG-CZ2 3.49Å; L537-W562 VanDerWaalsContact CG-CZ2 3.49Å; L537-W562 PolarHBondContact O-NE1 2.76Å
538	D	93.7	Very high	86.2	Confident	9 Å²	9	40.2 Å²	40.2	5%	0.048	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	144.9	-166.7	-176.4	-90.3	0	0	0	110.6	C536 R549 M551 Q560	C536-D538 PolarHBondContact O-N 2.92Å; D538-R549 HydrophobicContact CB-CG 4.33Å; D538-R549 WeakPolarHBondContact CB-O 3.46Å; D538-R549 PolarHBondContact N-O 3.39Å; D538-R549 PolarHBondContact O-N 2.96Å; D538-R549 IonicContact OD1-CZ 3.68Å; D538-R549 IonicContact OD1-NE 3.95Å; D538-R549 PolarHBondContact OD1-NE 2.93Å; D538-R549 VanDerWaalsContact OD1-NE 3.12Å; D538-R549 IonicContact OD1-NH2 2.87Å; D538-R549 PolarHBondContact OD1-NH2 2.82Å; D538-M551 HydrophobicContact CB-CB 3.72Å; D538-M551 HydrophobicContact CB-CG 3.69Å; D538-Q560 HydrophobicContact CB-CG 4.08Å; D538-Q560 WeakPolarHBondContact OD2-CG 3.48Å; D538-Q560 PolarHBondContact OD2-NE2 3.04Å
539	M	91.1	Very high	86.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.235	C	C	.	.			trans	-113.3	146.7	172.4	-80	-61.1	-60.5	0	0	112.5	E541 D546 P548 S559 W562 Q572 V575 M593	M539-E541 PolarHBondContact O-N 2.99Å; M539-D546 WeakPolarHBondContact CE-O 2.97Å; M539-P548 VanDerWaalsContact SD-CA 3.56Å; M539-P548 HydrophobicContact SD-CB 3.78Å; M539-S559 PolarHBondContact N-O 2.82Å; M539-S559 VanDerWaalsContact N-O 3.08Å; M539-S559 VanDerWaalsContact O-CB 3.23Å; M539-S559 WeakPolarHBondContact O-CB 3.42Å; M539-W562 HydrophobicContact CG-CH2 3.84Å; M539-W562 HydrophobicContact CG-CZ2 3.87Å; M539-W562 HydrophobicContact SD-CH2 4.48Å; M539-Q572 HydrophobicContact CB-CG 4.33Å; M539-Q572 HydrophobicContact CG-CG 3.79Å; M539-V575 HydrophobicContact CB-CG1 4.23Å; M539-V575 HydrophobicContact CE-CG1 4.23Å; M539-V575 HydrophobicContact CE-CG2 4.47Å; M539-V575 HydrophobicContact CG-CG2 4.43Å; M539-M593 HydrophobicContact CE-CB 4.31Å; M539-M593 HydrophobicContact CE-CG 3.31Å; M539-M593 HydrophobicContact CE-SD 4.47Å; M539-M593 HydrophobicContact CG-CG 4.47Å; M539-M593 HydrophobicContact SD-CG 3.54Å; M539-M593 VanDerWaalsContact SD-CG 3.54Å; M539-M593 HydrophobicContact SD-SD 4Å
540	S	81.6	Confident	86.1	Confident	9 Å²	9	42.7 Å²	42.7	6%	0.063	24%	0.235	C	C	.	.			trans	-70.9	113.7	168.7	-145.3	0	0	0	0	110.2	T542 D546 R549	S540-T542 PolarHBondContact O-N 3.38Å; S540-T542 PolarHBondContact OG-OG1 3.31Å; S540-D546 WeakPolarHBondContact CB-OD2 3.39Å; S540-D546 PolarHBondContact OG-OD2 2.82Å; S540-R549 VanDerWaalsContact CB-NH1 3.28Å; S540-R549 PolarHBondContact OG-NH1 3.31Å; S540-R549 VanDerWaalsContact OG-NH1 3.1Å
541	E	67.1	Low	86.1	Confident	66 Å²	66	43.9 Å²	43.9	31%	0.308	24%	0.24	S	C	.	.	S	Bend	trans	-73.8	-16.6	179.3	-57.5	179.2	154.2	0	0	112.7	K382 M539 S559	K382-E541 WeakPolarHBondContact CE-OE2 3.49Å; K382-E541 IonicContact NZ-OE1 3.12Å; K382-E541 IonicContact NZ-OE2 2.65Å; K382-E541 PolarHBondContact NZ-OE2 3.38Å; M539-E541 PolarHBondContact O-N 2.99Å; E541-S559 WeakPolarHBondContact OE1-CB 3.04Å; E541-S559 PolarHBondContact OE1-N 3.36Å; E541-S559 VanDerWaalsContact OE1-N 3.15Å; E541-S559 PolarHBondContact OE1-OG 2.71Å
542	T	62.8	Low	86	Confident	126 Å²	126	50.9 Å²	50.9	77%	0.773	27%	0.27	S	S	*	.	S	Bend	trans	-88.2	-24.5	-178	54.2	0	0	0	0	113.3	S540	S540-T542 PolarHBondContact O-N 3.38Å; S540-T542 PolarHBondContact OG-OG1 3.31Å
543	R	67.9	Low	85.9	Confident	161 Å²	161	51.2 Å²	51.2	61%	0.608	28%	0.275	S	S	*	.			trans	-139.4	99.6	-176.9	-67.7	-178.5	-179.5	-169.7	-1	108.8	S545 D546	R543-S545 PolarHBondContact O-N 2.87Å; R543-S545 VanDerWaalsContact O-N 3.14Å; R543-D546 HydrophobicContact CB-CB 4.34Å; R543-D546 VanDerWaalsContact CB-CG 3.47Å; R543-D546 WeakPolarHBondContact CB-OD1 3.35Å; R543-D546 WeakPolarHBondContact CD-OD1 3.38Å; R543-D546 WeakPolarHBondContact O-CB 3.11Å; R543-D546 PolarHBondContact O-N 3.4Å
544	S	67.3	Low	85.6	Confident	28 Å²	28	51.5 Å²	51.5	20%	0.196	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.5	177.2	46.4	0	0	0	0	113.1	Q577	S544-Q577 PolarHBondContact O-OE1 2.98Å
545	S	74.4	Confident	84.9	Confident	104 Å²	104	49.4 Å²	49.4	73%	0.727	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.4	175.4	61.2	0	0	0	0	114.8	R543	R543-S545 PolarHBondContact O-N 2.87Å; R543-S545 VanDerWaalsContact O-N 3.14Å
546	D	82.9	Confident	83.8	Confident	37 Å²	37	53.4 Å²	53.4	20%	0.198	30%	0.297	C	S	.	.	S	Bend	trans	-67.1	139.9	-179.1	-75.3	-4.7	0	0	0	109.9	M539 S540 R543	M539-D546 WeakPolarHBondContact CE-O 2.97Å; S540-D546 WeakPolarHBondContact CB-OD2 3.39Å; S540-D546 PolarHBondContact OG-OD2 2.82Å; R543-D546 HydrophobicContact CB-CB 4.34Å; R543-D546 VanDerWaalsContact CB-CG 3.47Å; R543-D546 WeakPolarHBondContact CB-OD1 3.35Å; R543-D546 WeakPolarHBondContact CD-OD1 3.38Å; R543-D546 WeakPolarHBondContact O-CB 3.11Å; R543-D546 PolarHBondContact O-N 3.4Å
547	P	87.4	Confident	83.2	Confident	57 Å²	57	54.1 Å²	54.1	37%	0.37	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-68.7	152.8	175.6	28.6	-34.7	0	0	0	111.5	L506	L506-P547 HydrophobicContact CD1-CG 4.33Å; L506-P547 HydrophobicContact CD2-CB 4.25Å; L506-P547 HydrophobicContact CD2-CG 3.71Å
548	P	92.7	Very high	82.6	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-62.7	143.2	175.3	26.8	-34.8	0	0	0	111.5	V507 L537 M539 W562 L579 V591	V507-P548 HydrophobicContact CG2-CB 3.99Å; V507-P548 HydrophobicContact CG2-CG 3.68Å; L537-P548 HydrophobicContact CD1-CB 3.96Å; M539-P548 VanDerWaalsContact SD-CA 3.56Å; M539-P548 HydrophobicContact SD-CB 3.78Å; P548-W562 HydrophobicContact CB-CH2 4.4Å; P548-L579 HydrophobicContact CG-CD1 3.78Å; P548-V591 HydrophobicContact CG-CG2 3.72Å
549	R	93.3	Very high	82.4	Confident	56 Å²	56	54.7 Å²	54.7	21%	0.211	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	166.7	-172.4	62	179	-179.6	-125.8	-5.6	111.6	G505 L506 D538 S540 M551	G505-R549 CarbonylContact O-C 3.6Å; G505-R549 VanDerWaalsContact O-CA 3.31Å; G505-R549 WeakPolarHBondContact O-CA 3.43Å; L506-R549 HydrophobicContact CD2-CB 4.3Å; D538-R549 HydrophobicContact CB-CG 4.33Å; D538-R549 WeakPolarHBondContact CB-O 3.46Å; D538-R549 PolarHBondContact N-O 3.39Å; D538-R549 PolarHBondContact O-N 2.96Å; D538-R549 IonicContact OD1-CZ 3.68Å; D538-R549 IonicContact OD1-NE 3.95Å; D538-R549 PolarHBondContact OD1-NE 2.93Å; D538-R549 VanDerWaalsContact OD1-NE 3.12Å; D538-R549 IonicContact OD1-NH2 2.87Å; D538-R549 PolarHBondContact OD1-NH2 2.82Å; S540-R549 VanDerWaalsContact CB-NH1 3.28Å; S540-R549 PolarHBondContact OG-NH1 3.31Å; S540-R549 VanDerWaalsContact OG-NH1 3.1Å; R549-M551 HydrophobicContact CG-CG 4.1Å
550	L	95.3	Very high	82.4	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.5	176.7	-65.3	173.5	0	0	0	110.9	A496 G504 G505 V507 W521 L531 L535 C536	A496-L550 HydrophobicContact CB-CD1 3.77Å; G504-L550 PolarHBondContact N-O 3.46Å; G505-L550 PolarHBondContact O-N 2.91Å; V507-L550 HydrophobicContact CG1-CD1 4.49Å; V507-L550 HydrophobicContact CG1-CD2 4.11Å; V507-L550 HydrophobicContact CG1-CG 4.07Å; W521-L550 HydrophobicContact CH2-CD2 3.94Å; W521-L550 HydrophobicContact CZ3-CD2 4.37Å; L531-L550 HydrophobicContact CB-CD2 4.07Å; L531-L550 HydrophobicContact CD2-CD1 3.72Å; L531-L550 HydrophobicContact CD2-CD2 4.17Å; L535-L550 HydrophobicContact CB-CB 3.95Å; L535-L550 HydrophobicContact CB-CD2 4.49Å; L535-L550 HydrophobicContact CD1-CB 3.86Å; C536-L550 WeakPolarHBondContact O-CA 3.24Å
551	M	94.8	Very high	82.9	Confident	44 Å²	44	56.3 Å²	56.3	22%	0.217	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	169.9	179.3	-66.9	-64.1	-78.5	0	0	111.4	K503 L535 C536 D538 R549 C553	K503-M551 VanDerWaalsContact CE-CE 3.41Å; K503-M551 HydrophobicContact CG-CE 4.34Å; K503-M551 HydrophobicContact CG-SD 3.77Å; L535-M551 CarbonylContact C-O 3.46Å; L535-M551 WeakPolarHBondContact CA-O 3.49Å; L535-M551 WeakPolarHBondContact CB-O 3.41Å; C536-M551 PolarHBondContact N-O 2.86Å; C536-M551 PolarHBondContact O-N 3.18Å; D538-M551 HydrophobicContact CB-CB 3.72Å; D538-M551 HydrophobicContact CB-CG 3.69Å; R549-M551 HydrophobicContact CG-CG 4.1Å; M551-C553 PolarHBondContact O-N 2.76Å
552	K	93	Very high	84.1	Confident	146 Å²	146	53.2 Å²	53.2	64%	0.635	30%	0.303	S	S	*	.			trans	-64.3	130.8	173.6	-71.4	-171	175.5	-173.7	0	108.7	L535 H554 Q560	L535-K552 HydrophobicContact CD2-CG 4.33Å; K552-H554 PolarHBondContact O-N 2.03Å; K552-Q560 PolarHBondContact O-NE2 2.88Å
553	C	89.5	Confident	85.5	Confident	53 Å²	53	48 Å²	48	36%	0.358	27%	0.271	S	S	.	.			trans	-60.9	130	173.4	-58.7	0	0	0	0	110	C536 M551 Q560	C536-C553 HydrophobicContact CB-CB 4.02Å; C536-C553 WeakPolarHBondContact CB-SG 3.47Å; C536-C553 PolarHBondContact N-SG 3.32Å; C536-C553 VanDerWaalsContact SG-CA 3.51Å; C536-C553 WeakPolarHBondContact SG-CB 3.34Å; C536-C553 CovalentContact SG-SG 2.03Å; C536-C553 PolarHBondContact SG-SG 3.26Å; M551-C553 PolarHBondContact O-N 2.76Å; C553-Q560 VanDerWaalsContact CA-OE1 3.3Å
554	H	84.3	Confident	86.5	Confident	83 Å²	83	43.2 Å²	43.2	38%	0.384	25%	0.254	S	S	.	.			trans	-122.9	-6.3	-179.1	61.1	73.6	0	0	0	114.1	K552 S556 Q560	K552-H554 PolarHBondContact O-N 2.03Å; H554-S556 WeakPolarHBondContact ND1-CB 3.38Å; H554-S556 PolarHBondContact ND1-N 3.47Å; H554-S556 PolarHBondContact ND1-OG 3.14Å; H554-S556 PolarHBondContact O-N 2.86Å; H554-S556 VanDerWaalsContact O-N 3.1Å; H554-S556 PolarHBondContact O-OG 2.8Å; H554-S556 VanDerWaalsContact O-OG 3.08Å; H554-Q560 PolarHBondContact CD2-NE2 2.84Å; H554-Q560 PolarHBondContact CD2-OE1 2.94Å; H554-Q560 WeakPolarHBondContact NE2-CG 3.39Å; H554-Q560 PolarHBondContact NE2-NE2 3.44Å; H554-Q560 PolarHBondContact NE2-OE1 3.17Å
555	G	77.6	Confident	87.1	Confident	45 Å²	45	42.6 Å²	42.6	46%	0.464	25%	0.253	S	S	.	.	S	Bend	trans	64.2	17.9	171.5	0	0	0	0	0	114.4	E528	E528-G555 WeakPolarHBondContact OE1-CA 3.31Å; E528-G555 PolarHBondContact OE1-N 3.12Å
556	S	72.8	Confident	87.4	Confident	96 Å²	96	44.5 Å²	44.5	67%	0.671	25%	0.248	S	C	*	.			trans	-100.5	4	-174.9	-36.7	0	0	0	0	113.1	H554	H554-S556 WeakPolarHBondContact ND1-CB 3.38Å; H554-S556 PolarHBondContact ND1-N 3.47Å; H554-S556 PolarHBondContact ND1-OG 3.14Å; H554-S556 PolarHBondContact O-N 2.86Å; H554-S556 VanDerWaalsContact O-N 3.1Å; H554-S556 PolarHBondContact O-OG 2.8Å; H554-S556 VanDerWaalsContact O-OG 3.08Å
557	G	81.5	Confident	87.4	Confident	15 Å²	15	48 Å²	48	16%	0.155	27%	0.266	C	S	.	.			trans	64.8	-155.5	-172.3	0	0	0	0	0	112.4	S559	G557-S559 PolarHBondContact O-N 3.44Å
558	G	84.5	Confident	87.4	Confident	9 Å²	9	48.8 Å²	48.8	9%	0.093	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	70.6	-114.4	178	0	0	0	0	0	112.2	Q560 Q561 Q572	G558-Q560 PolarHBondContact O-N 2.91Å; G558-Q561 WeakPolarHBondContact O-CB 3.5Å; G558-Q561 PolarHBondContact O-N 2.93Å; G558-Q561 VanDerWaalsContact O-N 3.11Å; G558-Q572 PolarHBondContact O-NE2 2.94Å
559	S	88	Confident	87.4	Confident	12 Å²	12	49.8 Å²	49.8	8%	0.084	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-59.8	-21.9	-179.5	27.6	0	0	0	0	115.9	M539 E541 G557 Q572 S574	M539-S559 PolarHBondContact N-O 2.82Å; M539-S559 VanDerWaalsContact N-O 3.08Å; M539-S559 VanDerWaalsContact O-CB 3.23Å; M539-S559 WeakPolarHBondContact O-CB 3.42Å; E541-S559 WeakPolarHBondContact OE1-CB 3.04Å; E541-S559 PolarHBondContact OE1-N 3.36Å; E541-S559 VanDerWaalsContact OE1-N 3.15Å; E541-S559 PolarHBondContact OE1-OG 2.71Å; G557-S559 PolarHBondContact O-N 3.44Å; S559-Q572 PolarHBondContact O-NE2 3.1Å; S559-S574 WeakPolarHBondContact CA-OG 3.27Å; S559-S574 PolarHBondContact N-OG 2.94Å
560	Q	92	Very high	87.4	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-106.4	5.4	177.2	-65.1	-174.8	-7.4	0	0	113.3	E528 C536 D538 K552 C553 H554 G558	E528-Q560 WeakPolarHBondContact CA-O 3.34Å; E528-Q560 HydrophobicContact CG-CB 4.48Å; C536-Q560 HydrophobicContact CB-CG 4.33Å; D538-Q560 HydrophobicContact CB-CG 4.08Å; D538-Q560 WeakPolarHBondContact OD2-CG 3.48Å; D538-Q560 PolarHBondContact OD2-NE2 3.04Å; K552-Q560 PolarHBondContact O-NE2 2.88Å; C553-Q560 VanDerWaalsContact CA-OE1 3.3Å; H554-Q560 PolarHBondContact CD2-NE2 2.84Å; H554-Q560 PolarHBondContact CD2-OE1 2.94Å; H554-Q560 WeakPolarHBondContact NE2-CG 3.39Å; H554-Q560 PolarHBondContact NE2-NE2 3.44Å; H554-Q560 PolarHBondContact NE2-OE1 3.17Å; G558-Q560 PolarHBondContact O-N 2.91Å
561	Q	91.4	Very high	87.2	Confident	43 Å²	43	47.1 Å²	47.1	20%	0.201	26%	0.262	C	S	.	.			trans	-92.4	120.8	-179.9	-163	178.3	-5	0	0	111.1	H527 G558 Q572 V573	H527-Q561 HydrophobicContact CB-CG 3.94Å; G558-Q561 WeakPolarHBondContact O-CB 3.5Å; G558-Q561 PolarHBondContact O-N 2.93Å; G558-Q561 VanDerWaalsContact O-N 3.11Å; Q561-Q572 PolarHBondContact O-NE2 3.3Å; Q561-V573 HydrophobicContact CB-CB 4.35Å; Q561-V573 HydrophobicContact CB-CG2 4.05Å; Q561-V573 HydrophobicContact CG-CB 4.48Å; Q561-V573 HydrophobicContact CG-CG2 3.8Å; Q561-V573 PolarHBondContact O-N 3.29Å
562	W	92.9	Very high	87.1	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133	-177.8	-61.9	87.3	0	0	0	110.7	Y523 H527 L529 L537 M539 P548 L570 Y571 Q572 L579 M593	Y523-W562 VanDerWaalsContact CE2-O 3.29Å; Y523-W562 WeakPolarHBondContact CE2-O 3.47Å; Y523-W562 PolarHBondContact OH-O 2.79Å; H527-W562 WeakPolarHBondContact CB-O 3.31Å; H527-W562 PolarHBondContact O-N 3.38Å; L529-W562 HydrophobicContact CD1-CB 3.94Å; L529-W562 HydrophobicContact CD1-CD2 4.44Å; L529-W562 HydrophobicContact CD1-CG 3.98Å; L529-W562 HydrophobicContact CG-CB 4.29Å; L529-W562 HydrophobicContact CG-CG 4.46Å; L537-W562 HydrophobicContact CB-CZ2 4.33Å; L537-W562 HydrophobicContact CD2-CD2 4.01Å; L537-W562 HydrophobicContact CD2-CE3 4.33Å; L537-W562 HydrophobicContact CD2-CH2 3.93Å; L537-W562 HydrophobicContact CD2-CZ2 3.6Å; L537-W562 HydrophobicContact CD2-CZ3 4.27Å; L537-W562 HydrophobicContact CG-CH2 4.19Å; L537-W562 HydrophobicContact CG-CZ2 3.49Å; L537-W562 VanDerWaalsContact CG-CZ2 3.49Å; L537-W562 PolarHBondContact O-NE1 2.76Å; M539-W562 HydrophobicContact CG-CH2 3.84Å; M539-W562 HydrophobicContact CG-CZ2 3.87Å; M539-W562 HydrophobicContact SD-CH2 4.48Å; P548-W562 HydrophobicContact CB-CH2 4.4Å; W562-L570 HydrophobicContact CB-CD1 4.08Å; W562-L570 HydrophobicContact CE3-CD1 4.32Å; W562-L570 HydrophobicContact CE3-CD2 4.33Å; W562-L570 HydrophobicContact CE3-CG 3.91Å; W562-L570 HydrophobicContact CZ3-CG 4.49Å; W562-Y571 CarbonylContact C-O 3.48Å; W562-Y571 WeakPolarHBondContact CA-O 3.42Å; W562-Q572 HydrophobicContact CD2-CB 4.35Å; W562-Q572 HydrophobicContact CD2-CG 3.85Å; W562-Q572 HydrophobicContact CE3-CB 3.77Å; W562-Q572 HydrophobicContact CE3-CG 3.75Å; W562-Q572 HydrophobicContact CH2-CB 3.89Å; W562-Q572 HydrophobicContact CH2-CG 3.5Å; W562-Q572 VanDerWaalsContact CH2-CG 3.5Å; W562-Q572 HydrophobicContact CZ2-CB 4.41Å; W562-Q572 HydrophobicContact CZ2-CG 3.55Å; W562-Q572 HydrophobicContact CZ3-CB 3.54Å; W562-Q572 HydrophobicContact CZ3-CG 3.61Å; W562-L579 HydrophobicContact CZ3-CB 4.46Å; W562-M593 HydrophobicContact CH2-CE 4.36Å; W562-M593 HydrophobicContact CH2-SD 4.05Å; W562-M593 HydrophobicContact CZ3-CE 4.12Å; W562-M593 HydrophobicContact CZ3-SD 4.21Å
563	T	91.4	Very high	86.9	Confident	17 Å²	17	38.5 Å²	38.5	10%	0.104	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.6	-178.8	-28	0	0	0	0	110.4	G565 Y571 V573	T563-G565 PolarHBondContact O-N 2.89Å; T563-Y571 PolarHBondContact N-O 3.08Å; T563-Y571 WeakPolarHBondContact O-CB 3.43Å; T563-Y571 PolarHBondContact O-N 3.48Å; T563-V573 WeakPolarHBondContact OG1-CG2 3.49Å
564	F	88.6	Confident	86.6	Confident	60 Å²	60	36 Å²	36	26%	0.263	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	104.3	167.7	-66.3	-85.9	0	0	0	108	L485 Y523 R569 L570 L606	L485-F564 HydrophobicContact CD1-CE1 3.95Å; L485-F564 HydrophobicContact CD1-CZ 4.01Å; Y523-F564 HydrophobicContact CD1-CE2 4.46Å; Y523-F564 HydrophobicContact CD2-CE2 4.33Å; Y523-F564 HydrophobicContact CE1-CD2 4.36Å; Y523-F564 HydrophobicContact CE1-CE2 4.44Å; Y523-F564 HydrophobicContact CE2-CE2 4.31Å; Y523-F564 HydrophobicContact CG-CE2 4.39Å; F564-R569 WeakPolarHBondContact CA-O 3.46Å; F564-L570 HydrophobicContact CD1-CD1 4.18Å; F564-L570 HydrophobicContact CE1-CD1 3.89Å; F564-L570 HydrophobicContact CE2-CD1 4.32Å; F564-L570 HydrophobicContact CZ-CD1 3.96Å; F564-L606 HydrophobicContact CE1-CB 4.35Å; F564-L606 HydrophobicContact CE2-CB 4.5Å; F564-L606 HydrophobicContact CE2-CD2 4.39Å; F564-L606 HydrophobicContact CZ-CB 3.82Å; F564-L606 HydrophobicContact CZ-CD2 4.33Å
565	G	81	Confident	86.7	Confident	16 Å²	16	32 Å²	32	17%	0.165	19%	0.188	C	C	.	.			trans	-83.6	-176.5	178.2	0	0	0	0	0	112.5	T563 N568 R569	T563-G565 PolarHBondContact O-N 2.89Å; G565-N568 PolarHBondContact O-N 3.44Å; G565-R569 PolarHBondContact N-O 3.38Å
566	K	81.4	Confident	87.2	Confident	143 Å²	143	29.9 Å²	29.9	62%	0.622	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-53.5	147.2	172.9	-61.1	-179.9	-178.3	176.3	0	111.5	E97 N568 R569	E97-K566 PolarHBondContact OE1-N 2.96Å; K566-N568 VanDerWaalsContact C-N 3.3Å; K566-N568 PolarHBondContact O-N 3.11Å; K566-R569 VanDerWaalsContact O-CD 3.29Å; K566-R569 WeakPolarHBondContact O-CD 3.48Å; K566-R569 VanDerWaalsContact O-CG 3.26Å; K566-R569 WeakPolarHBondContact O-CG 3.42Å; K566-R569 PolarHBondContact O-NE 3.43Å; K566-R569 VanDerWaalsContact O-NE 3.13Å
567	N	82.4	Confident	88.1	Confident	110 Å²	110	25.8 Å²	25.8	59%	0.588	14%	0.136	S	C	*	.	G	3₁₀ helix	trans	61.6	30	-176.9	-54.1	-21.2	0	0	0	114.5	R569	N567-R569 PolarHBondContact O-N 3.24Å
568	N	88	Confident	88.7	Confident	75 Å²	75	25 Å²	25	40%	0.401	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	59.6	27.1	177.2	-61.4	-34.4	0	0	0	113.8	L488 G565 K566 W604	L488-N568 HydrophobicContact CD1-CB 4.46Å; G565-N568 PolarHBondContact O-N 3.44Å; K566-N568 VanDerWaalsContact C-N 3.3Å; K566-N568 PolarHBondContact O-N 3.11Å; N568-W604 WeakPolarHBondContact CB-O 3.38Å; N568-W604 PolarHBondContact O-N 3.45Å; N568-W604 VanDerWaalsContact O-O 3.12Å
569	R	91.1	Very high	89.2	Confident	21 Å²	21	24.6 Å²	24.6	8%	0.079	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-75.1	132.5	175.2	65.6	-163.9	159.8	-173.8	-0.8	110.6	E97 M100 F564 G565 K566 N567 Y571 Q602	E97-R569 IonicContact OE1-CZ 3.94Å; E97-R569 IonicContact OE1-NE 3.47Å; E97-R569 IonicContact OE1-NH2 2.98Å; E97-R569 PolarHBondContact OE1-NH2 2.9Å; E97-R569 IonicContact OE2-NH2 3.84Å; M100-R569 PolarHBondContact SD-NH1 3.03Å; M100-R569 VanDerWaalsContact SD-NH1 3.4Å; F564-R569 WeakPolarHBondContact CA-O 3.46Å; G565-R569 PolarHBondContact N-O 3.38Å; K566-R569 VanDerWaalsContact O-CD 3.29Å; K566-R569 WeakPolarHBondContact O-CD 3.48Å; K566-R569 VanDerWaalsContact O-CG 3.26Å; K566-R569 WeakPolarHBondContact O-CG 3.42Å; K566-R569 PolarHBondContact O-NE 3.43Å; K566-R569 VanDerWaalsContact O-NE 3.13Å; N567-R569 PolarHBondContact O-N 3.24Å; R569-Y571 PolarHBondContact O-N 2.81Å; R569-Q602 WeakPolarHBondContact CA-O 3.23Å
570	L	93.3	Very high	89.4	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	99.7	173.4	-174.8	59	0	0	0	109.1	L485 L529 W562 F564 C578 L579 W604	L485-L570 HydrophobicContact CD2-CD2 3.71Å; L529-L570 HydrophobicContact CD1-CD1 4Å; L529-L570 HydrophobicContact CD1-CD2 3.86Å; W562-L570 HydrophobicContact CB-CD1 4.08Å; W562-L570 HydrophobicContact CE3-CD1 4.32Å; W562-L570 HydrophobicContact CE3-CD2 4.33Å; W562-L570 HydrophobicContact CE3-CG 3.91Å; W562-L570 HydrophobicContact CZ3-CG 4.49Å; F564-L570 HydrophobicContact CD1-CD1 4.18Å; F564-L570 HydrophobicContact CE1-CD1 3.89Å; F564-L570 HydrophobicContact CE2-CD1 4.32Å; F564-L570 HydrophobicContact CZ-CD1 3.96Å; L570-C578 WeakPolarHBondContact O-CA 3.42Å; L570-L579 HydrophobicContact CB-CB 4.23Å; L570-L579 HydrophobicContact CD2-CB 4.43Å; L570-L579 HydrophobicContact CD2-CD2 3.83Å; L570-L579 HydrophobicContact CG-CB 4.48Å; L570-L579 PolarHBondContact O-N 2.98Å; L570-W604 HydrophobicContact CB-CB 4.13Å; L570-W604 HydrophobicContact CB-CG 3.97Å
571	Y	92.6	Very high	89.4	Confident	1 Å²	1	28.5 Å²	28.5	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.7	-174.2	168.2	-112.9	0	0	0	111.5	S96 G99 M100 W562 T563 R569 V573 G576	S96-Y571 WeakPolarHBondContact O-CE1 3.24Å; G99-Y571 VanDerWaalsContact CA-OH 3.31Å; G99-Y571 WeakPolarHBondContact CA-OH 3.25Å; G99-Y571 PolarHBondContact O-OH 2.92Å; M100-Y571 HydrophobicContact CB-CD2 4.33Å; M100-Y571 HydrophobicContact CB-CE2 3.81Å; M100-Y571 HydrophobicContact CE-CD1 4.17Å; M100-Y571 HydrophobicContact CE-CD2 3.76Å; M100-Y571 HydrophobicContact CE-CE2 4.27Å; M100-Y571 HydrophobicContact CE-CG 3.69Å; M100-Y571 HydrophobicContact CG-CD2 3.97Å; M100-Y571 HydrophobicContact CG-CE2 3.89Å; M100-Y571 PolarHBondContact N-OH 3.03Å; W562-Y571 CarbonylContact C-O 3.48Å; W562-Y571 WeakPolarHBondContact CA-O 3.42Å; T563-Y571 PolarHBondContact N-O 3.08Å; T563-Y571 WeakPolarHBondContact O-CB 3.43Å; T563-Y571 PolarHBondContact O-N 3.48Å; R569-Y571 PolarHBondContact O-N 2.81Å; Y571-V573 HydrophobicContact CD1-CG2 4.16Å; Y571-V573 HydrophobicContact CE1-CG2 3.83Å; Y571-V573 HydrophobicContact CE1-CB 4.11Å; Y571-V573 HydrophobicContact CE1-CG1 4.28Å; Y571-G576 VanDerWaalsContact CE2-C 3.47Å
572	Q	92.3	Very high	89	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.8	174.2	-151.9	-61.4	-24.9	0	0	109.9	M539 G558 S559 Q561 W562 S574 V575 G576 Q577 M593	M539-Q572 HydrophobicContact CB-CG 4.33Å; M539-Q572 HydrophobicContact CG-CG 3.79Å; G558-Q572 PolarHBondContact O-NE2 2.94Å; S559-Q572 PolarHBondContact O-NE2 3.1Å; Q561-Q572 PolarHBondContact O-NE2 3.3Å; W562-Q572 HydrophobicContact CD2-CB 4.35Å; W562-Q572 HydrophobicContact CD2-CG 3.85Å; W562-Q572 HydrophobicContact CE3-CB 3.77Å; W562-Q572 HydrophobicContact CE3-CG 3.75Å; W562-Q572 HydrophobicContact CH2-CB 3.89Å; W562-Q572 HydrophobicContact CH2-CG 3.5Å; W562-Q572 VanDerWaalsContact CH2-CG 3.5Å; W562-Q572 HydrophobicContact CZ2-CB 4.41Å; W562-Q572 HydrophobicContact CZ2-CG 3.55Å; W562-Q572 HydrophobicContact CZ3-CB 3.54Å; W562-Q572 HydrophobicContact CZ3-CG 3.61Å; Q572-S574 PolarHBondContact NE2-OG 3.34Å; Q572-S574 PolarHBondContact OE1-OG 2.83Å; Q572-V575 HydrophobicContact CB-CG2 3.69Å; Q572-V575 HydrophobicContact CG-CG2 4.08Å; Q572-G576 WeakPolarHBondContact O-CA 3.38Å; Q572-G576 PolarHBondContact O-N 2.87Å; Q572-Q577 PolarHBondContact N-O 2.86Å; Q572-M593 HydrophobicContact CB-CE 3.65Å
573	V	87.9	Confident	87.8	Confident	8 Å²	8	33.3 Å²	33.3	5%	0.048	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-38.2	-167.6	-165.9	0	0	0	0	115.1	T281 Q561 T563 Y571	T281-V573 HydrophobicContact CG2-CB 4.41Å; T281-V573 HydrophobicContact CG2-CG1 3.54Å; Q561-V573 HydrophobicContact CB-CB 4.35Å; Q561-V573 HydrophobicContact CB-CG2 4.05Å; Q561-V573 HydrophobicContact CG-CB 4.48Å; Q561-V573 HydrophobicContact CG-CG2 3.8Å; Q561-V573 PolarHBondContact O-N 3.29Å; T563-V573 WeakPolarHBondContact OG1-CG2 3.49Å; Y571-V573 HydrophobicContact CD1-CG2 4.16Å; Y571-V573 HydrophobicContact CE1-CG2 3.83Å; Y571-V573 HydrophobicContact CE1-CB 4.11Å; Y571-V573 HydrophobicContact CE1-CG1 4.28Å
574	S	82.9	Confident	86.1	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.007	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-31.9	-178.8	67.5	0	0	0	0	113.9	R110 S559 Q572	R110-S574 PolarHBondContact NH2-O 2.75Å; S559-S574 WeakPolarHBondContact CA-OG 3.27Å; S559-S574 PolarHBondContact N-OG 2.94Å; Q572-S574 PolarHBondContact NE2-OG 3.34Å; Q572-S574 PolarHBondContact OE1-OG 2.83Å
575	V	87.1	Confident	84.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-19	175.9	-64.1	0	0	0	0	113.2	I101 R110 M539 Q572 Q577 M593	I101-V575 WeakPolarHBondContact CD1-O 3.47Å; R110-V575 PolarHBondContact NE-O 2.88Å; R110-V575 VanDerWaalsContact NE-O 3.12Å; M539-V575 HydrophobicContact CB-CG1 4.23Å; M539-V575 HydrophobicContact CE-CG1 4.23Å; M539-V575 HydrophobicContact CE-CG2 4.47Å; M539-V575 HydrophobicContact CG-CG2 4.43Å; Q572-V575 HydrophobicContact CB-CG2 3.69Å; Q572-V575 HydrophobicContact CG-CG2 4.08Å; V575-Q577 PolarHBondContact O-N 2.84Å; V575-Q577 HydrophobicContact CG2-CB 4.06Å; V575-M593 HydrophobicContact CG2-CE 4.04Å
576	G	88.9	Confident	83.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	9.7	-179.6	0	0	0	0	0	113.7	G99 I101 Y571 Q572	G99-G576 WeakPolarHBondContact O-CA 3.49Å; I101-G576 WeakPolarHBondContact CB-O 3.45Å; I101-G576 WeakPolarHBondContact CG1-O 3.48Å; I101-G576 PolarHBondContact N-O 2.86Å; Y571-G576 VanDerWaalsContact CE2-C 3.47Å; Q572-G576 WeakPolarHBondContact O-CA 3.38Å; Q572-G576 PolarHBondContact O-N 2.87Å
577	Q	91.9	Very high	81.9	Confident	9 Å²	9	42.8 Å²	42.8	4%	0.042	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	164.6	-173.2	-69.9	-177.9	-35.3	0	0	111.6	I101 S544 Q572 V575 M593 A594 C596	I101-Q577 HydrophobicContact CD1-CG 3.92Å; S544-Q577 PolarHBondContact O-OE1 2.98Å; Q572-Q577 PolarHBondContact N-O 2.86Å; V575-Q577 PolarHBondContact O-N 2.84Å; V575-Q577 HydrophobicContact CG2-CB 4.06Å; Q577-M593 VanDerWaalsContact C-CE 3.48Å; Q577-M593 HydrophobicContact CB-CB 3.97Å; Q577-M593 HydrophobicContact CB-CE 3.87Å; Q577-M593 VanDerWaalsContact O-CE 3.23Å; Q577-M593 WeakPolarHBondContact O-CE 3.23Å; Q577-A594 WeakPolarHBondContact CB-O 3.34Å; Q577-C596 VanDerWaalsContact C-SG 3.53Å
578	C	93.6	Very high	80.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	145.3	178.5	-70.2	0	0	0	0	110.7	L570 R580 A594 C596	L570-C578 WeakPolarHBondContact O-CA 3.42Å; C578-R580 PolarHBondContact O-N 3.04Å; C578-A594 PolarHBondContact O-N 3.15Å; C578-A594 PolarHBondContact N-O 2.87Å; C578-C596 HydrophobicContact CB-CB 4Å; C578-C596 WeakPolarHBondContact CB-SG 3.03Å; C578-C596 PolarHBondContact N-SG 3.15Å; C578-C596 WeakPolarHBondContact SG-CB 3.13Å; C578-C596 CovalentContact SG-SG 2.04Å; C578-C596 PolarHBondContact SG-SG 3.14Å
579	L	94.1	Very high	80	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	124.5	174.9	-172	67.8	0	0	0	109.5	L494 P548 W562 L570 V591 M593 W604	L494-L579 HydrophobicContact CD1-CD2 4.4Å; L494-L579 HydrophobicContact CD2-CD2 4Å; P548-L579 HydrophobicContact CG-CD1 3.78Å; W562-L579 HydrophobicContact CZ3-CB 4.46Å; L570-L579 HydrophobicContact CB-CB 4.23Å; L570-L579 HydrophobicContact CD2-CB 4.43Å; L570-L579 HydrophobicContact CD2-CD2 3.83Å; L570-L579 HydrophobicContact CG-CB 4.48Å; L570-L579 PolarHBondContact O-N 2.98Å; L579-V591 HydrophobicContact CG-CB 4.45Å; L579-V591 HydrophobicContact CD1-CG2 4.01Å; L579-V591 HydrophobicContact CD1-CB 3.9Å; L579-M593 HydrophobicContact CB-SD 4.38Å; L579-M593 HydrophobicContact CD1-SD 3.88Å; L579-W604 HydrophobicContact CD2-CD2 4.23Å; L579-W604 HydrophobicContact CD2-CH2 4Å; L579-W604 HydrophobicContact CD2-CZ2 3.58Å; L579-W604 HydrophobicContact CD2-CZ3 4.49Å; L579-W604 HydrophobicContact CG-CZ2 3.71Å; L579-W604 PolarHBondContact O-NE1 3.48Å
580	R	92.8	Very high	79.7	Confident	90 Å²	90	43.9 Å²	43.9	34%	0.34	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.6	-179.9	-178.3	174.4	178.3	136.4	-1.6	110.7	C578 V582 V591 A592 A594 D597 S601 Q602	C578-R580 PolarHBondContact O-N 3.04Å; R580-V582 PolarHBondContact O-N 3.23Å; R580-V591 WeakPolarHBondContact O-CA 3.31Å; R580-V591 CarbonylContact O-C 3.6Å; R580-V591 VanDerWaalsContact O-CA 3.28Å; R580-A592 PolarHBondContact O-N 3.39Å; R580-A592 PolarHBondContact N-O 3.05Å; R580-A594 HydrophobicContact CB-CB 3.95Å; R580-A594 HydrophobicContact CG-CB 4.5Å; R580-D597 IonicContact NH1-OD2 2.97Å; R580-D597 PolarHBondContact NH1-OD2 3.35Å; R580-S601 WeakPolarHBondContact CA-O 3.42Å; R580-S601 PolarHBondContact NE-OG 2.84Å; R580-Q602 HydrophobicContact CB-CG 4.02Å; R580-Q602 HydrophobicContact CG-CG 4.2Å
581	A	90.9	Very high	79.6	Confident	4 Å²	4	44.3 Å²	44.3	3%	0.033	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	121.7	166	0	0	0	0	0	110	L509 S601	L509-A581 HydrophobicContact CD1-CB 3.65Å; A581-S601 PolarHBondContact N-O 3.25Å
582	V	83.5	Confident	79.5	Confident	58 Å²	58	45.9 Å²	45.9	35%	0.352	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.7	175.9	-179.7	0	0	0	0	108	R580 S590 A592	R580-V582 PolarHBondContact O-N 3.23Å; V582-S590 WeakPolarHBondContact CB-OG 3.46Å; V582-S590 PolarHBondContact O-OG 2.8Å; V582-S590 VanDerWaalsContact O-N 3.12Å; V582-S590 PolarHBondContact O-N 2.8Å; V582-S590 CarbonylContact O-C 3.57Å; V582-S590 PolarHBondContact N-O 2.77Å; V582-A592 HydrophobicContact CG2-CB 3.56Å
583	D	67.9	Low	79.5	Confident	87 Å²	87	47 Å²	47	47%	0.465	25%	0.246	S	C	.	.	S	Bend	trans	54.2	64.5	-175	-170.4	15.3	0	0	0	113.6	L585 G586	D583-L585 PolarHBondContact O-N 2.82Å; D583-L585 VanDerWaalsContact O-N 3.14Å; D583-G586 WeakPolarHBondContact OD2-CA 3.37Å; D583-G586 PolarHBondContact OD1-N 2.95Å; D583-G586 PolarHBondContact O-N 2.84Å; D583-G586 WeakPolarHBondContact OD1-CA 3.16Å
584	P	55.8	Low	79.6	Confident	39 Å²	39	47.5 Å²	47.5	25%	0.253	25%	0.251	S	S	.	.	S	Bend	trans	-62.1	-22.6	-176.7	21.8	-30.9	0	0	0	114	T490 K492	T490-P584 HydrophobicContact CG2-CB 3.28Å; K492-P584 PolarHBondContact NZ-O 2.76Å
585	L	52.4	Low	80.1	Confident	167 Å²	167	49.3 Å²	49.3	87%	0.874	26%	0.26	S	S	*	.	S	Bend	trans	-102.5	-19.9	-173.9	-65.4	170.2	0	0	0	113.5	D583	D583-L585 PolarHBondContact O-N 2.82Å; D583-L585 VanDerWaalsContact O-N 3.14Å
586	G	56.2	Low	80.3	Confident	17 Å²	17	49.5 Å²	49.5	18%	0.175	26%	0.261	C	S	.	.	S	Bend	trans	-71.8	155.2	174.6	0	0	0	0	0	113.6	D583 K588 G589	D583-G586 WeakPolarHBondContact OD2-CA 3.37Å; D583-G586 PolarHBondContact OD1-N 2.95Å; D583-G586 PolarHBondContact O-N 2.84Å; D583-G586 WeakPolarHBondContact OD1-CA 3.16Å; G586-K588 PolarHBondContact O-N 2.86Å; G586-G589 PolarHBondContact O-N 2.86Å
587	Q	53.4	Low	80.4	Confident	211 Å²	211	53.6 Å²	53.6	99%	0.986	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.7	-178.2	-76.4	-167.6	-12.9	0	0	114.2
588	K	59.3	Low	80	Confident	180 Å²	180	54 Å²	54	78%	0.783	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-8	-174.5	-70.8	-175.6	179.4	177.2	0	115.3	G586 S590	G586-K588 PolarHBondContact O-N 2.86Å; K588-S590 PolarHBondContact O-N 3.32Å
589	G	71.3	Confident	79.9	Confident	2 Å²	2	55.6 Å²	55.6	2%	0.021	30%	0.301	C	S	.	.			trans	29	75.5	175	0	0	0	0	0	114.1	L509 G586	L509-G589 WeakPolarHBondContact CB-O 3.47Å; L509-G589 PolarHBondContact N-O 2.84Å; G586-G589 PolarHBondContact O-N 2.86Å
590	S	85.4	Confident	79.7	Confident	48 Å²	48	58.2 Å²	58.2	34%	0.336	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	164.9	-177.7	54.3	0	0	0	0	111.4	V582 K588	V582-S590 WeakPolarHBondContact CB-OG 3.46Å; V582-S590 PolarHBondContact O-OG 2.8Å; V582-S590 VanDerWaalsContact O-N 3.12Å; V582-S590 PolarHBondContact O-N 2.8Å; V582-S590 CarbonylContact O-C 3.57Å; V582-S590 PolarHBondContact N-O 2.77Å; K588-S590 PolarHBondContact O-N 3.32Å
591	V	90.7	Very high	79.6	Confident	9 Å²	9	54.5 Å²	54.5	6%	0.055	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	149.8	170.6	-62.3	0	0	0	0	109.4	L494 V507 L509 P548 L579 R580 W604	L494-V591 HydrophobicContact CD1-CG1 3.83Å; L494-V591 HydrophobicContact CD1-CG2 4.06Å; V507-V591 HydrophobicContact CG2-CG2 3.77Å; L509-V591 HydrophobicContact CD1-CG1 4.21Å; L509-V591 HydrophobicContact CG-CG1 3.95Å; P548-V591 HydrophobicContact CG-CG2 3.72Å; L579-V591 HydrophobicContact CG-CB 4.45Å; L579-V591 HydrophobicContact CD1-CG2 4.01Å; L579-V591 HydrophobicContact CD1-CB 3.9Å; R580-V591 WeakPolarHBondContact O-CA 3.31Å; R580-V591 CarbonylContact O-C 3.6Å; R580-V591 VanDerWaalsContact O-CA 3.28Å; V591-W604 HydrophobicContact CG1-CH2 3.77Å; V591-W604 HydrophobicContact CG1-CZ2 4.12Å
592	A	90.8	Very high	79.7	Confident	34 Å²	34	54.3 Å²	54.3	28%	0.281	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	166.4	176.3	0	0	0	0	0	110.1	R580 V582	R580-A592 PolarHBondContact O-N 3.39Å; R580-A592 PolarHBondContact N-O 3.05Å; V582-A592 HydrophobicContact CG2-CB 3.56Å
593	M	92.2	Very high	80.2	Confident	22 Å²	22	54.2 Å²	54.2	11%	0.108	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	139	170.1	-59.9	-51	-63.9	0	0	110.1	M539 W562 Q572 V575 Q577 L579	M539-M593 HydrophobicContact CE-CB 4.31Å; M539-M593 HydrophobicContact CE-CG 3.31Å; M539-M593 HydrophobicContact CE-SD 4.47Å; M539-M593 HydrophobicContact CG-CG 4.47Å; M539-M593 HydrophobicContact SD-CG 3.54Å; M539-M593 VanDerWaalsContact SD-CG 3.54Å; M539-M593 HydrophobicContact SD-SD 4Å; W562-M593 HydrophobicContact CH2-CE 4.36Å; W562-M593 HydrophobicContact CH2-SD 4.05Å; W562-M593 HydrophobicContact CZ3-CE 4.12Å; W562-M593 HydrophobicContact CZ3-SD 4.21Å; Q572-M593 HydrophobicContact CB-CE 3.65Å; V575-M593 HydrophobicContact CG2-CE 4.04Å; Q577-M593 VanDerWaalsContact C-CE 3.48Å; Q577-M593 HydrophobicContact CB-CB 3.97Å; Q577-M593 HydrophobicContact CB-CE 3.87Å; Q577-M593 VanDerWaalsContact O-CE 3.23Å; Q577-M593 WeakPolarHBondContact O-CE 3.23Å; L579-M593 HydrophobicContact CB-SD 4.38Å; L579-M593 HydrophobicContact CD1-SD 3.88Å
594	A	91.4	Very high	81.4	Confident	20 Å²	20	50 Å²	50	17%	0.165	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	164.1	179.7	0	0	0	0	0	111.6	Q577 C578 R580 C596	Q577-A594 WeakPolarHBondContact CB-O 3.34Å; C578-A594 PolarHBondContact O-N 3.15Å; C578-A594 PolarHBondContact N-O 2.87Å; R580-A594 HydrophobicContact CB-CB 3.95Å; R580-A594 HydrophobicContact CG-CB 4.5Å; A594-C596 PolarHBondContact O-N 3Å
595	I	92.3	Very high	83.3	Confident	39 Å²	39	51.4 Å²	51.4	20%	0.2	28%	0.282	C	S	.	.			trans	-51.5	133.6	169.5	-64.3	176.9	0	0	0	109.1	I101 F102 E104 D597 Q602	I101-I595 HydrophobicContact CG2-CB 4.47Å; I101-I595 HydrophobicContact CG2-CG1 3.93Å; I101-I595 HydrophobicContact CG2-CG2 4.28Å; I101-I595 WeakPolarHBondContact O-CG2 3.49Å; F102-I595 WeakPolarHBondContact O-CG2 3.39Å; E104-I595 HydrophobicContact CG-CD1 3.98Å; I595-D597 PolarHBondContact O-N 2.81Å; I595-Q602 PolarHBondContact O-NE2 3.18Å
596	C	91.8	Very high	85.2	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.02	24%	0.241	C	C	.	.			trans	-75.6	86.5	-176.1	-67.1	0	0	0	0	110.9	M100 I101 Q577 C578 A594	M100-C596 HydrophobicContact CG-CB 3.58Å; M100-C596 WeakPolarHBondContact CG-SG 3.4Å; M100-C596 HydrophobicContact SD-CB 3.69Å; I101-C596 WeakPolarHBondContact O-CB 3.17Å; I101-C596 PolarHBondContact O-N 3.41Å; Q577-C596 VanDerWaalsContact C-SG 3.53Å; C578-C596 HydrophobicContact CB-CB 4Å; C578-C596 WeakPolarHBondContact CB-SG 3.03Å; C578-C596 PolarHBondContact N-SG 3.15Å; C578-C596 WeakPolarHBondContact SG-CB 3.13Å; C578-C596 CovalentContact SG-SG 2.04Å; C578-C596 PolarHBondContact SG-SG 3.14Å; A594-C596 PolarHBondContact O-N 3Å
597	D	90	Very high	86.8	Confident	86 Å²	86	44.6 Å²	44.6	46%	0.46	24%	0.241	S	C	.	.			trans	-93.1	-11	-179.4	64.4	10.2	0	0	0	113.2	R580 I595 S599 Q602	R580-D597 IonicContact NH1-OD2 2.97Å; R580-D597 PolarHBondContact NH1-OD2 3.35Å; I595-D597 PolarHBondContact O-N 2.81Å; D597-S599 PolarHBondContact OD1-N 3.34Å; D597-S599 PolarHBondContact OD2-OG 3.35Å; D597-S599 PolarHBondContact OD1-OG 3.21Å; D597-S599 WeakPolarHBondContact OD1-CB 3.47Å; D597-S599 PolarHBondContact O-N 2.04Å; D597-Q602 VanDerWaalsContact N-OE1 3.14Å; D597-Q602 VanDerWaalsContact OD1-CD 3.22Å; D597-Q602 PolarHBondContact OD1-OE1 3.43Å; D597-Q602 VanDerWaalsContact OD1-OE1 3.12Å
598	G	85.3	Confident	87.4	Confident	17 Å²	17	40.1 Å²	40.1	18%	0.175	25%	0.252	C	S	.	.			trans	70.5	12.8	-177.7	0	0	0	0	0	113.9
599	S	90.5	Very high	88.9	Confident	35 Å²	35	33.1 Å²	33.1	25%	0.245	23%	0.225	C	C	.	.			trans	-58.9	158.4	175.4	63.2	0	0	0	0	111.6	D597 S601 Q602	D597-S599 PolarHBondContact OD1-N 3.34Å; D597-S599 PolarHBondContact OD2-OG 3.35Å; D597-S599 PolarHBondContact OD1-OG 3.21Å; D597-S599 WeakPolarHBondContact OD1-CB 3.47Å; D597-S599 PolarHBondContact O-N 2.04Å; S599-S601 PolarHBondContact O-N 2.88Å; S599-S601 PolarHBondContact OG-OG 3.04Å; S599-Q602 PolarHBondContact O-N 3.2Å
600	S	89.8	Confident	89.8	Confident	54 Å²	54	34.7 Å²	34.7	38%	0.378	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-55.1	-28	177	61.6	0	0	0	0	113.1	H487 Q489 Q602 Q603	H487-S600 PolarHBondContact NE2-O 3.16Å; Q489-S600 PolarHBondContact OE1-OG 2.95Å; S600-Q602 PolarHBondContact O-N 2.94Å; S600-Q603 PolarHBondContact O-N 3.44Å
601	S	90.8	Very high	90	Very high	13 Å²	13	34 Å²	34	9%	0.091	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-70.6	-8.2	177.5	71.5	0	0	0	0	114.8	H487 R580 A581 S599	H487-S601 VanDerWaalsContact NE2-C 3.27Å; H487-S601 WeakPolarHBondContact NE2-CA 3.46Å; H487-S601 PolarHBondContact NE2-O 3.08Å; H487-S601 VanDerWaalsContact NE2-O 3.16Å; R580-S601 WeakPolarHBondContact CA-O 3.42Å; R580-S601 PolarHBondContact NE-OG 2.84Å; A581-S601 PolarHBondContact N-O 3.25Å; S599-S601 PolarHBondContact O-N 2.88Å; S599-S601 PolarHBondContact OG-OG 3.04Å
602	Q	93.1	Very high	90	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-113.7	8.1	179.7	-64.8	-172.5	-14.5	0	0	112.9	R569 R580 I595 D597 S599 S600	R569-Q602 WeakPolarHBondContact CA-O 3.23Å; R580-Q602 HydrophobicContact CB-CG 4.02Å; R580-Q602 HydrophobicContact CG-CG 4.2Å; I595-Q602 PolarHBondContact O-NE2 3.18Å; D597-Q602 VanDerWaalsContact N-OE1 3.14Å; D597-Q602 VanDerWaalsContact OD1-CD 3.22Å; D597-Q602 PolarHBondContact OD1-OE1 3.43Å; D597-Q602 VanDerWaalsContact OD1-OE1 3.12Å; S599-Q602 PolarHBondContact O-N 3.2Å; S600-Q602 PolarHBondContact O-N 2.94Å
603	Q	93.7	Very high	89.9	Confident	55 Å²	55	35.6 Å²	35.6	26%	0.257	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-95.5	119.7	-175.1	-59	-176.3	-2.8	0	0	111.1	H487 L488 S600	H487-Q603 PolarHBondContact CD2-O 2.92Å; H487-Q603 VanDerWaalsContact CD2-O 3.31Å; L488-Q603 HydrophobicContact CB-CB 4.13Å; L488-Q603 HydrophobicContact CD1-CB 3.82Å; L488-Q603 HydrophobicContact CG-CB 4.1Å; L488-Q603 PolarHBondContact N-O 3.37Å; S600-Q603 PolarHBondContact O-N 3.44Å
604	W	94.4	Very high	89.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.3	-174.7	-60.4	90.2	0	0	0	110.8	L485 Y486 H487 L494 L509 N568 L570 L579 V591	L485-W604 HydrophobicContact CD1-CB 4.06Å; L485-W604 HydrophobicContact CG-CE3 4.25Å; Y486-W604 WeakPolarHBondContact O-CA 3.48Å; H487-W604 HydrophobicContact CB-CD2 4.45Å; H487-W604 HydrophobicContact CB-CE3 3.9Å; H487-W604 HydrophobicContact CB-CH2 4.07Å; H487-W604 HydrophobicContact CB-CZ3 3.71Å; H487-W604 AromaticContact CD2-CE2 3.99Å; L494-W604 HydrophobicContact CB-CZ3 4.03Å; L494-W604 HydrophobicContact CD1-CH2 4.14Å; L494-W604 HydrophobicContact CD1-CZ3 4.28Å; L509-W604 HydrophobicContact CD1-CH2 4.37Å; L509-W604 HydrophobicContact CD2-CH2 3.59Å; L509-W604 HydrophobicContact CD2-CZ3 3.62Å; L509-W604 HydrophobicContact CG-CH2 4.22Å; N568-W604 WeakPolarHBondContact CB-O 3.38Å; N568-W604 PolarHBondContact O-N 3.45Å; N568-W604 VanDerWaalsContact O-O 3.12Å; L570-W604 HydrophobicContact CB-CB 4.13Å; L570-W604 HydrophobicContact CB-CG 3.97Å; L579-W604 HydrophobicContact CD2-CD2 4.23Å; L579-W604 HydrophobicContact CD2-CH2 4Å; L579-W604 HydrophobicContact CD2-CZ2 3.58Å; L579-W604 HydrophobicContact CD2-CZ3 4.49Å; L579-W604 HydrophobicContact CG-CZ2 3.71Å; L579-W604 PolarHBondContact O-NE1 3.48Å; V591-W604 HydrophobicContact CG1-CH2 3.77Å; V591-W604 HydrophobicContact CG1-CZ2 4.12Å
605	H	94.6	Very high	89.7	Confident	67 Å²	67	37.6 Å²	37.6	31%	0.31	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131	174.8	-174.9	88.6	0	0	0	109.8	L485 Y486 L488	L485-H605 CarbonylContact C-O 3.51Å; L485-H605 WeakPolarHBondContact CA-O 3.25Å; Y486-H605 WeakPolarHBondContact CD1-O 3.43Å; Y486-H605 HydrophobicContact CD2-CB 4.45Å; Y486-H605 HydrophobicContact CE1-CB 4.07Å; Y486-H605 AromaticContact CE1-CD2 3.39Å; Y486-H605 WeakPolarHBondContact CE1-CD2 3.36Å; Y486-H605 HydrophobicContact CE2-CB 3.93Å; Y486-H605 AromaticContact CZ-CD2 3.38Å; Y486-H605 AromaticContact CZ-CG 3.78Å; Y486-H605 PolarHBondContact N-O 3.24Å; Y486-H605 PolarHBondContact O-N 3.32Å; Y486-H605 PolarHBondContact OH-CD2 2.85Å; L488-H605 HydrophobicContact CD2-CB 3.73Å
606	L	93.2	Very high	89.5	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121.8	169.4	-176.8	61.2	0	0	0	107.6	Q481 G483 R484 L485 W521 Y523 F564 G608	Q481-L606 HydrophobicContact CB-CD2 3.96Å; Q481-L606 HydrophobicContact CG-CD2 3.9Å; Q481-L606 HydrophobicContact CG-CG 4.14Å; Q481-L606 PolarHBondContact NE2-O 2.92Å; G483-L606 WeakPolarHBondContact O-CD1 3.43Å; R484-L606 WeakPolarHBondContact O-CA 3.18Å; L485-L606 HydrophobicContact CB-CD1 4.19Å; L485-L606 HydrophobicContact CD1-CB 4.23Å; W521-L606 HydrophobicContact CB-CD1 4.03Å; Y523-L606 HydrophobicContact CG-CD2 4.44Å; F564-L606 HydrophobicContact CE1-CB 4.35Å; F564-L606 HydrophobicContact CE2-CB 4.5Å; F564-L606 HydrophobicContact CE2-CD2 4.39Å; F564-L606 HydrophobicContact CZ-CB 3.82Å; F564-L606 HydrophobicContact CZ-CD2 4.33Å; L606-G608 PolarHBondContact O-N 2.99Å
607	E	89.3	Confident	89.3	Confident	36 Å²	36	40.4 Å²	40.4	17%	0.168	28%	0.276	C	S	.	.			trans	-54.1	137.9	173.5	-67.9	173.2	168	0	0	110.4	Q481 R484 Y486	Q481-E607 PolarHBondContact NE2-O 3.46Å; R484-E607 HydrophobicContact CB-CG 4.33Å; R484-E607 WeakPolarHBondContact CB-OE2 3.48Å; R484-E607 WeakPolarHBondContact CG-OE2 3.26Å; R484-E607 PolarHBondContact N-OE2 2.65Å; R484-E607 VanDerWaalsContact N-OE2 3.14Å; R484-E607 IonicContact NH1-OE2 3.15Å; R484-E607 PolarHBondContact NH1-OE2 2.81Å; R484-E607 VanDerWaalsContact NH1-OE2 3.15Å; R484-E607 PolarHBondContact O-N 2.87Å; Y486-E607 HydrophobicContact CD1-CG 3.91Å; Y486-E607 HydrophobicContact CE1-CG 3.65Å
608	G	66.9	Low	89.2	Confident	117 Å²	117	36.3 Å²	36.3	100%	1.206	26%	0.26	S	S	*	.			trans	-98	0	179.8	0	0	0	0	0	113	L606	L606-G608 PolarHBondContact O-N 2.99Å

Retrieved 608 of 608 residues in 494 ms (Link to these results)

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