A0A077ZG65_TRITR Loading...

TrwB AAD bind and TraD N domain containing protei n

AlphaFold DB , UniProt , Accession A0A077ZG65, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 732 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	57.2	Low	79.8	Confident	230 Å²	230	108 Å²	108	100%	1.133	58%	0.579	S	S	*	*				0	122.8	0	-76.9	176.7	-165.1	0	0	107.4
2	S	70.8	Confident	80.2	Confident	69 Å²	69	102.4 Å²	102.4	48%	0.483	57%	0.566	S	S	.	*			trans	-96.6	128	174.7	167.1	0	0	0	0	108	N4 D7	S2-N4 WeakPolarHBondContact OG-CB 3.38Å; S2-N4 PolarHBondContact OG-N 3.43Å; S2-N4 VanDerWaalsContact OG-N 3.13Å; S2-D7 WeakPolarHBondContact CB-OD2 3.42Å; S2-D7 PolarHBondContact OG-OD2 2.87Å
3	F	78.2	Confident	80.3	Confident	196 Å²	196	102.2 Å²	102.2	86%	0.86	56%	0.559	S	S	*	*			trans	-90.5	19.3	168.7	-72.1	-75.9	0	0	0	111.5	A5	F3-A5 PolarHBondContact O-N 2.76Å
4	N	83.6	Confident	80.3	Confident	85 Å²	85	99.4 Å²	99.4	46%	0.455	54%	0.541	S	S	.	.			trans	-61.4	126.6	174.6	-170.2	-17.6	0	0	0	109.1	S2 K6 D7 M8	S2-N4 WeakPolarHBondContact OG-CB 3.38Å; S2-N4 PolarHBondContact OG-N 3.43Å; S2-N4 VanDerWaalsContact OG-N 3.13Å; N4-K6 PolarHBondContact O-N 2.82Å; N4-K6 VanDerWaalsContact O-N 3.14Å; N4-K6 PolarHBondContact OD1-N 3.21Å; N4-D7 HydrophobicContact CB-CB 4.35Å; N4-D7 PolarHBondContact O-N 2.83Å; N4-M8 PolarHBondContact O-N 3.48Å
5	A	83.6	Confident	80.5	Confident	66 Å²	66	95.9 Å²	95.9	55%	0.545	53%	0.531	S	S	.	.	H	α-helix	trans	-54.2	-35.1	179.9	0	0	0	0	0	111.7	F3 M8 T9	F3-A5 PolarHBondContact O-N 2.76Å; A5-M8 PolarHBondContact O-N 3Å; A5-T9 WeakPolarHBondContact O-CG2 3.41Å; A5-T9 PolarHBondContact O-N 2.9Å; A5-T9 PolarHBondContact O-OG1 3.34Å
6	K	83.6	Confident	80.6	Confident	127 Å²	127	93.8 Å²	93.8	55%	0.552	53%	0.525	S	S	*	.	H	α-helix	trans	-61	-52.3	175.4	-172.9	178.7	176.9	-177.8	0	111.7	N4 M8 T9 Q10	N4-K6 PolarHBondContact O-N 2.82Å; N4-K6 VanDerWaalsContact O-N 3.14Å; N4-K6 PolarHBondContact OD1-N 3.21Å; K6-M8 VanDerWaalsContact C-N 3.27Å; K6-M8 PolarHBondContact O-N 3.16Å; K6-T9 PolarHBondContact O-N 3.12Å; K6-T9 PolarHBondContact O-OG1 3.37Å; K6-Q10 WeakPolarHBondContact O-CG 3.49Å; K6-Q10 PolarHBondContact O-N 3.29Å
7	D	85.9	Confident	80.6	Confident	68 Å²	68	88.7 Å²	88.7	36%	0.364	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-36.9	-179.8	-58.3	-15.8	0	0	0	111.3	S2 N4 G11	S2-D7 WeakPolarHBondContact CB-OD2 3.42Å; S2-D7 PolarHBondContact OG-OD2 2.87Å; N4-D7 HydrophobicContact CB-CB 4.35Å; N4-D7 PolarHBondContact O-N 2.83Å; D7-G11 PolarHBondContact O-N 2.9Å
8	M	85.4	Confident	80.7	Confident	139 Å²	139	92.1 Å²	92.1	69%	0.685	50%	0.5	S	S	*	.	H	α-helix	trans	-65.4	-45.1	176	-169.5	177.7	76.7	0	0	112	N4 A5 K6 G12	N4-M8 PolarHBondContact O-N 3.48Å; A5-M8 PolarHBondContact O-N 3Å; K6-M8 VanDerWaalsContact C-N 3.27Å; K6-M8 PolarHBondContact O-N 3.16Å; M8-G12 PolarHBondContact O-N 3.14Å
9	T	84.2	Confident	80.9	Confident	79 Å²	79	93.4 Å²	93.4	49%	0.485	51%	0.506	S	S	.	.	H	α-helix	trans	-64.9	-44.6	177.1	54.6	0	0	0	0	112.1	A5 K6 G12 Q13	A5-T9 WeakPolarHBondContact O-CG2 3.41Å; A5-T9 PolarHBondContact O-N 2.9Å; A5-T9 PolarHBondContact O-OG1 3.34Å; K6-T9 PolarHBondContact O-N 3.12Å; K6-T9 PolarHBondContact O-OG1 3.37Å; T9-G12 PolarHBondContact O-N 3.3Å; T9-Q13 WeakPolarHBondContact O-CG 3.03Å; T9-Q13 PolarHBondContact O-N 3.3Å
10	Q	80.6	Confident	81	Confident	92 Å²	92	93.6 Å²	93.6	43%	0.43	50%	0.498	S	S	.	.	H	α-helix	trans	-63.3	-48.1	177.3	-71.4	-178	-21.7	0	0	111.6	K6 G12 Q13 I14	K6-Q10 WeakPolarHBondContact O-CG 3.49Å; K6-Q10 PolarHBondContact O-N 3.29Å; Q10-G12 VanDerWaalsContact C-N 3.34Å; Q10-G12 PolarHBondContact O-N 3.03Å; Q10-Q13 PolarHBondContact O-N 3.37Å; Q10-I14 WeakPolarHBondContact O-CD1 3.26Å; Q10-I14 VanDerWaalsContact O-CG1 3.28Å; Q10-I14 WeakPolarHBondContact O-CG1 3.29Å; Q10-I14 PolarHBondContact O-N 3.18Å; Q10-I14 VanDerWaalsContact O-N 3.08Å
11	G	84.2	Confident	81.1	Confident	37 Å²	37	92.1 Å²	92.1	38%	0.381	49%	0.49	S	S	.	.	H	α-helix	trans	-61.5	-40.7	176.7	0	0	0	0	0	112.7	D7 I14 A15	D7-G11 PolarHBondContact O-N 2.9Å; G11-I14 PolarHBondContact O-N 2.93Å; G11-A15 WeakPolarHBondContact O-CB 3.3Å; G11-A15 PolarHBondContact O-N 3.1Å
12	G	85	Confident	82.4	Confident	41 Å²	41	88.5 Å²	88.5	42%	0.423	47%	0.468	S	S	.	.	H	α-helix	trans	-62.6	-42.9	176.5	0	0	0	0	0	113.1	M8 T9 Q10 A15 S16	M8-G12 PolarHBondContact O-N 3.14Å; T9-G12 PolarHBondContact O-N 3.3Å; Q10-G12 VanDerWaalsContact C-N 3.34Å; Q10-G12 PolarHBondContact O-N 3.03Å; G12-A15 PolarHBondContact O-N 2.96Å; G12-S16 WeakPolarHBondContact O-CB 3.28Å; G12-S16 PolarHBondContact O-N 3.04Å
13	Q	81.8	Confident	83.1	Confident	100 Å²	100	87.7 Å²	87.7	47%	0.467	46%	0.462	S	S	.	.	H	α-helix	trans	-63.2	-46.3	175.8	-74.6	175.2	-24.2	0	0	111.9	T9 Q10 A15 S16 M17 Y511	T9-Q13 WeakPolarHBondContact O-CG 3.03Å; T9-Q13 PolarHBondContact O-N 3.3Å; Q10-Q13 PolarHBondContact O-N 3.37Å; Q13-A15 PolarHBondContact O-N 2.85Å; Q13-S16 PolarHBondContact O-N 2.91Å; Q13-M17 WeakPolarHBondContact O-CB 3.4Å; Q13-M17 PolarHBondContact O-N 2.92Å; Q13-Y511 HydrophobicContact CB-CD1 4.32Å; Q13-Y511 HydrophobicContact CB-CE1 4.34Å
14	I	80.2	Confident	83.4	Confident	62 Å²	62	83.6 Å²	83.6	32%	0.318	45%	0.446	S	S	.	.	H	α-helix	trans	-59	-47	177.1	-65.6	161.3	0	0	0	110.7	Q10 G11 M17 R18 Y511	Q10-I14 WeakPolarHBondContact O-CD1 3.26Å; Q10-I14 VanDerWaalsContact O-CG1 3.28Å; Q10-I14 WeakPolarHBondContact O-CG1 3.29Å; Q10-I14 PolarHBondContact O-N 3.18Å; Q10-I14 VanDerWaalsContact O-N 3.08Å; G11-I14 PolarHBondContact O-N 2.93Å; I14-M17 PolarHBondContact O-N 3.1Å; I14-R18 WeakPolarHBondContact O-CG 3.07Å; I14-R18 PolarHBondContact O-N 3.43Å; I14-R18 VanDerWaalsContact O-N 3.07Å; I14-Y511 WeakPolarHBondContact CG1-OH 3.49Å
15	A	82.4	Confident	83.5	Confident	47 Å²	47	84.2 Å²	84.2	39%	0.388	45%	0.448	S	S	.	.	H	α-helix	trans	-64.1	-46.5	-179.7	0	0	0	0	0	112	G11 G12 Q13 M17 R18 I19	G11-A15 WeakPolarHBondContact O-CB 3.3Å; G11-A15 PolarHBondContact O-N 3.1Å; G12-A15 PolarHBondContact O-N 2.96Å; Q13-A15 PolarHBondContact O-N 2.85Å; A15-M17 VanDerWaalsContact C-N 3.31Å; A15-M17 PolarHBondContact O-N 3.48Å; A15-R18 PolarHBondContact O-N 3.18Å; A15-I19 VanDerWaalsContact O-CG1 3.3Å; A15-I19 WeakPolarHBondContact O-CG1 3.48Å; A15-I19 PolarHBondContact O-N 3.25Å
16	S	83.2	Confident	83.6	Confident	62 Å²	62	82.7 Å²	82.7	43%	0.434	44%	0.435	S	S	.	.	H	α-helix	trans	-59	-42.2	178.7	-177.7	0	0	0	0	112	G12 Q13 R20	G12-S16 WeakPolarHBondContact O-CB 3.28Å; G12-S16 PolarHBondContact O-N 3.04Å; Q13-S16 PolarHBondContact O-N 2.91Å; S16-R20 WeakPolarHBondContact O-CB 3.31Å; S16-R20 PolarHBondContact O-N 3.42Å
17	M	80.1	Confident	83.9	Confident	8 Å²	8	81.4 Å²	81.4	4%	0.039	43%	0.434	C	S	.	.	H	α-helix	trans	-68.1	-44.8	179.7	-172.9	-162.2	77	0	0	111.7	Q13 I14 A15 I19 R20 M21 Y509 Y511 V520	Q13-M17 WeakPolarHBondContact O-CB 3.4Å; Q13-M17 PolarHBondContact O-N 2.92Å; I14-M17 PolarHBondContact O-N 3.1Å; A15-M17 VanDerWaalsContact C-N 3.31Å; A15-M17 PolarHBondContact O-N 3.48Å; M17-I19 VanDerWaalsContact C-N 3.35Å; M17-I19 PolarHBondContact O-N 3.2Å; M17-R20 WeakPolarHBondContact O-CB 3.48Å; M17-R20 PolarHBondContact O-N 3.18Å; M17-M21 HydrophobicContact CE-CE 4.45Å; M17-M21 HydrophobicContact CE-SD 4.39Å; M17-M21 HydrophobicContact CG-CE 4.08Å; M17-M21 WeakPolarHBondContact O-CG 3.46Å; M17-M21 PolarHBondContact O-N 2.9Å; M17-M21 HydrophobicContact SD-CE 4.24Å; M17-Y509 HydrophobicContact CE-CD1 3.13Å; M17-Y509 HydrophobicContact CE-CE1 3.28Å; M17-Y509 HydrophobicContact CE-CG 4.17Å; M17-Y509 HydrophobicContact SD-CD1 3.91Å; M17-Y511 HydrophobicContact CB-CE1 4.43Å; M17-Y511 HydrophobicContact SD-CE1 3.76Å; M17-V520 HydrophobicContact CE-CG2 4.34Å
18	R	82.1	Confident	83.9	Confident	150 Å²	150	83.5 Å²	83.5	57%	0.566	45%	0.445	S	S	*	.	H	α-helix	trans	-60.4	-42.4	176.4	-74.7	-179.9	177	-179.7	-0.3	112.3	I14 A15 R20 M21 F22	I14-R18 WeakPolarHBondContact O-CG 3.07Å; I14-R18 PolarHBondContact O-N 3.43Å; I14-R18 VanDerWaalsContact O-N 3.07Å; A15-R18 PolarHBondContact O-N 3.18Å; R18-R20 VanDerWaalsContact C-N 3.34Å; R18-M21 PolarHBondContact O-N 3.09Å; R18-F22 VanDerWaalsContact O-CB 3.28Å; R18-F22 WeakPolarHBondContact O-CB 3.29Å; R18-F22 PolarHBondContact O-N 2.71Å
19	I	84.5	Confident	84	Confident	117 Å²	117	78.4 Å²	78.4	60%	0.6	42%	0.419	S	S	*	.	H	α-helix	trans	-62.8	-43	175.8	-69.3	167.7	0	0	0	110.5	A15 M17 F22 S23	A15-I19 VanDerWaalsContact O-CG1 3.3Å; A15-I19 WeakPolarHBondContact O-CG1 3.48Å; A15-I19 PolarHBondContact O-N 3.25Å; M17-I19 VanDerWaalsContact C-N 3.35Å; M17-I19 PolarHBondContact O-N 3.2Å; I19-F22 PolarHBondContact O-N 2.81Å; I19-S23 VanDerWaalsContact O-CB 3.27Å; I19-S23 WeakPolarHBondContact O-CB 3.36Å; I19-S23 PolarHBondContact O-N 3.44Å
20	R	83.7	Confident	84.2	Confident	96 Å²	96	80.2 Å²	80.2	36%	0.362	43%	0.426	S	S	.	.	H	α-helix	trans	-61.9	-48.9	178.6	-168.6	-173	-65.7	160.2	0.6	111.5	S16 M17 R18 S23 Q24 D518	S16-R20 WeakPolarHBondContact O-CB 3.31Å; S16-R20 PolarHBondContact O-N 3.42Å; M17-R20 WeakPolarHBondContact O-CB 3.48Å; M17-R20 PolarHBondContact O-N 3.18Å; R18-R20 VanDerWaalsContact C-N 3.34Å; R20-S23 PolarHBondContact O-N 3Å; R20-Q24 WeakPolarHBondContact O-CG 3.18Å; R20-Q24 PolarHBondContact O-N 2.85Å; R20-D518 IonicContact NH1-OD2 3.41Å; R20-D518 PolarHBondContact NH1-OD2 3.37Å; R20-D518 VanDerWaalsContact NH1-OD2 3.17Å
21	M	82.6	Confident	84.7	Confident	64 Å²	64	83 Å²	83	32%	0.315	43%	0.433	S	S	.	.	H	α-helix	trans	-63.5	-44.1	178.7	-71	-175.3	173.3	0	0	112.2	M17 R18 S23 Q24 I25 V520	M17-M21 HydrophobicContact CE-CE 4.45Å; M17-M21 HydrophobicContact CE-SD 4.39Å; M17-M21 HydrophobicContact CG-CE 4.08Å; M17-M21 WeakPolarHBondContact O-CG 3.46Å; M17-M21 PolarHBondContact O-N 2.9Å; M17-M21 HydrophobicContact SD-CE 4.24Å; R18-M21 PolarHBondContact O-N 3.09Å; M21-S23 PolarHBondContact O-N 3.44Å; M21-Q24 PolarHBondContact O-N 3.28Å; M21-I25 WeakPolarHBondContact O-CG1 2.92Å; M21-I25 PolarHBondContact O-N 3.26Å; M21-V520 HydrophobicContact CE-CB 4.24Å; M21-V520 HydrophobicContact CE-CG2 3.23Å; M21-V520 HydrophobicContact SD-CG2 3.88Å
22	F	84.7	Confident	85	Confident	153 Å²	153	84.8 Å²	84.8	67%	0.671	44%	0.439	S	S	*	.	H	α-helix	trans	-60.9	-45.1	175.4	179.2	-98.5	0	0	0	111.6	R18 I19 Q24 I25 A26	R18-F22 VanDerWaalsContact O-CB 3.28Å; R18-F22 WeakPolarHBondContact O-CB 3.29Å; R18-F22 PolarHBondContact O-N 2.71Å; I19-F22 PolarHBondContact O-N 2.81Å; F22-Q24 VanDerWaalsContact C-N 3.35Å; F22-Q24 PolarHBondContact O-N 3.37Å; F22-I25 PolarHBondContact O-N 3.23Å; F22-A26 HydrophobicContact CE1-CB 4.47Å; F22-A26 WeakPolarHBondContact O-CB 3.44Å; F22-A26 PolarHBondContact O-N 3.36Å
23	S	85.1	Confident	85.3	Confident	52 Å²	52	84.2 Å²	84.2	36%	0.364	43%	0.426	S	S	.	.	H	α-helix	trans	-63.6	-38.4	178	180	0	0	0	0	112.2	I19 R20 M21 N27	I19-S23 VanDerWaalsContact O-CB 3.27Å; I19-S23 WeakPolarHBondContact O-CB 3.36Å; I19-S23 PolarHBondContact O-N 3.44Å; R20-S23 PolarHBondContact O-N 3Å; M21-S23 PolarHBondContact O-N 3.44Å; S23-N27 WeakPolarHBondContact O-CB 3.43Å; S23-N27 PolarHBondContact O-N 3.04Å; S23-N27 PolarHBondContact O-ND2 2.82Å
24	Q	84.9	Confident	85.8	Confident	111 Å²	111	85 Å²	85	52%	0.519	43%	0.428	S	S	.	.	H	α-helix	trans	-61.8	-50.2	175	-75.8	173.2	-10.7	0	0	111.5	R20 M21 F22 A26 N27 I28	R20-Q24 WeakPolarHBondContact O-CG 3.18Å; R20-Q24 PolarHBondContact O-N 2.85Å; M21-Q24 PolarHBondContact O-N 3.28Å; F22-Q24 VanDerWaalsContact C-N 3.35Å; F22-Q24 PolarHBondContact O-N 3.37Å; Q24-A26 PolarHBondContact O-N 3.09Å; Q24-N27 PolarHBondContact O-N 3.45Å; Q24-I28 WeakPolarHBondContact O-CG1 3.31Å; Q24-I28 PolarHBondContact O-N 3.46Å
25	I	85.3	Confident	86.3	Confident	97 Å²	97	85.5 Å²	85.5	50%	0.497	43%	0.431	S	S	.	.	H	α-helix	trans	-63.8	-43.5	179.2	-65.2	165	0	0	0	110.6	M21 F22 I28 M29	M21-I25 WeakPolarHBondContact O-CG1 2.92Å; M21-I25 PolarHBondContact O-N 3.26Å; F22-I25 PolarHBondContact O-N 3.23Å; I25-I28 PolarHBondContact O-N 3.49Å; I25-M29 WeakPolarHBondContact O-CB 3.41Å; I25-M29 PolarHBondContact O-N 3.04Å
26	A	85.8	Confident	86.8	Confident	34 Å²	34	86.8 Å²	86.8	28%	0.281	43%	0.428	S	S	.	.	H	α-helix	trans	-63.5	-41.2	177.9	0	0	0	0	0	112.1	F22 Q24 M29 L30	F22-A26 HydrophobicContact CE1-CB 4.47Å; F22-A26 WeakPolarHBondContact O-CB 3.44Å; F22-A26 PolarHBondContact O-N 3.36Å; Q24-A26 PolarHBondContact O-N 3.09Å; A26-M29 PolarHBondContact O-N 3.26Å; A26-L30 VanDerWaalsContact O-CB 3.3Å; A26-L30 WeakPolarHBondContact O-CB 3.39Å; A26-L30 PolarHBondContact O-N 3.34Å
27	N	89	Confident	87.3	Confident	100 Å²	100	85.3 Å²	85.3	54%	0.535	41%	0.414	S	S	.	.	H	α-helix	trans	-65.2	-43.4	177.3	-76.2	-13.5	0	0	0	111.8	S23 Q24 M29 L30 Y31	S23-N27 WeakPolarHBondContact O-CB 3.43Å; S23-N27 PolarHBondContact O-N 3.04Å; S23-N27 PolarHBondContact O-ND2 2.82Å; Q24-N27 PolarHBondContact O-N 3.45Å; N27-M29 VanDerWaalsContact C-N 3.34Å; N27-L30 PolarHBondContact O-N 3.44Å; N27-Y31 VanDerWaalsContact O-CB 3.3Å; N27-Y31 WeakPolarHBondContact O-CB 3.45Å; N27-Y31 PolarHBondContact O-N 3.15Å
28	I	87.5	Confident	87.9	Confident	113 Å²	113	90.9 Å²	90.9	58%	0.579	43%	0.434	S	S	*	.	H	α-helix	trans	-61.7	-45.6	175.4	-67.8	166.3	0	0	0	110.2	Q24 I25 L30 Y31 C32	Q24-I28 WeakPolarHBondContact O-CG1 3.31Å; Q24-I28 PolarHBondContact O-N 3.46Å; I25-I28 PolarHBondContact O-N 3.49Å; I28-L30 PolarHBondContact O-N 3.49Å; I28-Y31 PolarHBondContact O-N 2.97Å; I28-C32 PolarHBondContact O-N 2.96Å; I28-C32 PolarHBondContact O-SG 3.3Å; I28-C32 VanDerWaalsContact O-SG 3.4Å
29	M	86.6	Confident	88.4	Confident	31 Å²	31	88.7 Å²	88.7	15%	0.153	43%	0.433	C	S	.	.	H	α-helix	trans	-61.1	-46.2	178.6	-170	-173.2	-57.7	0	0	111.8	I25 A26 N27 C32 L33 F127 V130 L134	I25-M29 WeakPolarHBondContact O-CB 3.41Å; I25-M29 PolarHBondContact O-N 3.04Å; A26-M29 PolarHBondContact O-N 3.26Å; N27-M29 VanDerWaalsContact C-N 3.34Å; M29-C32 PolarHBondContact O-N 2.85Å; M29-L33 HydrophobicContact CG-CD1 4.17Å; M29-L33 WeakPolarHBondContact O-CB 3.35Å; M29-L33 WeakPolarHBondContact O-CG 3.42Å; M29-L33 PolarHBondContact O-N 3Å; M29-F127 HydrophobicContact CG-CD2 4.41Å; M29-F127 HydrophobicContact SD-CD2 3.49Å; M29-F127 WeakPolarHBondContact SD-CD2 3.29Å; M29-F127 HydrophobicContact SD-CE2 3.44Å; M29-F127 WeakPolarHBondContact SD-CE2 3.07Å; M29-V130 HydrophobicContact CE-CG1 4.19Å; M29-V130 HydrophobicContact SD-CG1 4.44Å; M29-L134 HydrophobicContact CE-CD1 3.57Å
30	L	89.4	Confident	88.8	Confident	118 Å²	118	84.3 Å²	84.3	62%	0.618	41%	0.41	S	S	*	.	H	α-helix	trans	-63.8	-41.2	178.4	-172.4	149.2	0	0	0	111.4	A26 N27 I28 L33 F34	A26-L30 VanDerWaalsContact O-CB 3.3Å; A26-L30 WeakPolarHBondContact O-CB 3.39Å; A26-L30 PolarHBondContact O-N 3.34Å; N27-L30 PolarHBondContact O-N 3.44Å; I28-L30 PolarHBondContact O-N 3.49Å; L30-L33 PolarHBondContact O-N 2.67Å; L30-F34 WeakPolarHBondContact O-CB 3.15Å; L30-F34 PolarHBondContact O-N 3.39Å
31	Y	91	Very high	89.2	Confident	151 Å²	151	79.9 Å²	79.9	59%	0.592	39%	0.394	S	S	*	.	H	α-helix	trans	-61.8	-46.8	176.5	-179.9	-101.7	0	0	0	112.2	N27 I28 L33 F34 I35	N27-Y31 VanDerWaalsContact O-CB 3.3Å; N27-Y31 WeakPolarHBondContact O-CB 3.45Å; N27-Y31 PolarHBondContact O-N 3.15Å; I28-Y31 PolarHBondContact O-N 2.97Å; Y31-L33 PolarHBondContact O-N 2.91Å; Y31-F34 PolarHBondContact O-N 3.31Å; Y31-I35 HydrophobicContact CD1-CD1 4.1Å; Y31-I35 HydrophobicContact CE1-CD1 3.46Å; Y31-I35 VanDerWaalsContact CE1-CD1 3.46Å; Y31-I35 HydrophobicContact CE2-CD1 4.27Å; Y31-I35 PolarHBondContact O-N 3.06Å; Y31-I35 VanDerWaalsContact O-N 3.12Å
32	C	90.7	Very high	89.6	Confident	74 Å²	74	78.6 Å²	78.6	50%	0.5	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-42.1	176	-71.3	0	0	0	0	112.2	I28 M29 F34 I35 F36	I28-C32 PolarHBondContact O-N 2.96Å; I28-C32 PolarHBondContact O-SG 3.3Å; I28-C32 VanDerWaalsContact O-SG 3.4Å; M29-C32 PolarHBondContact O-N 2.85Å; C32-F34 VanDerWaalsContact C-N 3.33Å; C32-F34 PolarHBondContact O-N 3.11Å; C32-I35 PolarHBondContact O-N 2.98Å; C32-F36 VanDerWaalsContact O-CB 3.31Å; C32-F36 WeakPolarHBondContact O-CB 3.48Å; C32-F36 PolarHBondContact O-N 3.29Å
33	L	91.4	Very high	89.9	Confident	29 Å²	29	75.8 Å²	75.8	15%	0.152	39%	0.389	C	S	.	.	H	α-helix	trans	-65.8	-35.4	176.2	-75	169.4	0	0	0	112.4	M29 L30 Y31 F36 F37 C123 T126 F127	M29-L33 HydrophobicContact CG-CD1 4.17Å; M29-L33 WeakPolarHBondContact O-CB 3.35Å; M29-L33 WeakPolarHBondContact O-CG 3.42Å; M29-L33 PolarHBondContact O-N 3Å; L30-L33 PolarHBondContact O-N 2.67Å; Y31-L33 PolarHBondContact O-N 2.91Å; L33-F36 PolarHBondContact O-N 3.17Å; L33-F37 VanDerWaalsContact O-CB 3.26Å; L33-F37 WeakPolarHBondContact O-CB 3.49Å; L33-F37 PolarHBondContact O-N 3.15Å; L33-C123 HydrophobicContact CD2-CB 4.37Å; L33-T126 HydrophobicContact CD2-CG2 4.08Å; L33-F127 HydrophobicContact CD1-CB 3.78Å; L33-F127 HydrophobicContact CD1-CD2 3.71Å; L33-F127 HydrophobicContact CD1-CG 4.21Å
34	F	91.2	Very high	90.1	Very high	115 Å²	115	74.5 Å²	74.5	50%	0.504	38%	0.379	S	S	.	.	H	α-helix	trans	-65.1	-44.3	176.7	-178.2	-97.4	0	0	0	112.1	L30 Y31 C32 F37 W38	L30-F34 WeakPolarHBondContact O-CB 3.15Å; L30-F34 PolarHBondContact O-N 3.39Å; Y31-F34 PolarHBondContact O-N 3.31Å; C32-F34 VanDerWaalsContact C-N 3.33Å; C32-F34 PolarHBondContact O-N 3.11Å; F34-F37 WeakPolarHBondContact O-CB 3.4Å; F34-F37 PolarHBondContact O-N 2.95Å; F34-W38 AromaticContact CE1-CD1 3.64Å; F34-W38 AromaticContact CE1-NE1 3.59Å; F34-W38 AromaticContact CE2-NE1 3.39Å; F34-W38 AromaticContact CZ-CD1 3.66Å; F34-W38 AromaticContact CZ-NE1 3.1Å; F34-W38 VanDerWaalsContact O-CD1 3.29Å; F34-W38 PolarHBondContact O-N 3.25Å
35	I	92.1	Very high	90.5	Very high	73 Å²	73	70.2 Å²	70.2	37%	0.374	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-46.2	174.4	-67.2	173.3	0	0	0	110.3	Y31 C32 F37 W38 I39	Y31-I35 HydrophobicContact CD1-CD1 4.1Å; Y31-I35 HydrophobicContact CE1-CD1 3.46Å; Y31-I35 VanDerWaalsContact CE1-CD1 3.46Å; Y31-I35 HydrophobicContact CE2-CD1 4.27Å; Y31-I35 PolarHBondContact O-N 3.06Å; Y31-I35 VanDerWaalsContact O-N 3.12Å; C32-I35 PolarHBondContact O-N 2.98Å; I35-F37 VanDerWaalsContact C-N 3.29Å; I35-F37 PolarHBondContact O-N 3.08Å; I35-W38 PolarHBondContact O-N 2.89Å; I35-I39 HydrophobicContact CG2-CD1 3.77Å; I35-I39 HydrophobicContact CG2-CG1 4.43Å; I35-I39 WeakPolarHBondContact O-CG1 3.14Å; I35-I39 PolarHBondContact O-N 3.26Å
36	F	91.8	Very high	90.6	Very high	74 Å²	74	75.6 Å²	75.6	33%	0.325	37%	0.373	S	S	.	.	H	α-helix	trans	-59.8	-39.3	178.6	-176.2	-118.3	0	0	0	112.3	C32 L33 I39 L40 I122	C32-F36 VanDerWaalsContact O-CB 3.31Å; C32-F36 WeakPolarHBondContact O-CB 3.48Å; C32-F36 PolarHBondContact O-N 3.29Å; L33-F36 PolarHBondContact O-N 3.17Å; F36-I39 PolarHBondContact O-N 3.03Å; F36-L40 HydrophobicContact CD1-CD1 3.84Å; F36-L40 HydrophobicContact CE1-CD1 3.49Å; F36-L40 VanDerWaalsContact CE1-CD1 3.49Å; F36-L40 HydrophobicContact CE1-CG 4.31Å; F36-L40 HydrophobicContact CE2-CD1 4.32Å; F36-L40 HydrophobicContact CE2-CD2 4.48Å; F36-L40 HydrophobicContact CE2-CG 4.29Å; F36-L40 HydrophobicContact CG-CD1 4.4Å; F36-L40 HydrophobicContact CZ-CD1 3.75Å; F36-L40 HydrophobicContact CZ-CD2 4.29Å; F36-L40 HydrophobicContact CZ-CG 4.15Å; F36-L40 WeakPolarHBondContact O-CG 3.46Å; F36-L40 PolarHBondContact O-N 2.92Å; F36-I122 HydrophobicContact CE1-CG2 3.9Å; F36-I122 HydrophobicContact CZ-CG2 4.18Å
37	F	94	Very high	90.8	Very high	32 Å²	32	79 Å²	79	14%	0.14	39%	0.39	C	S	.	.	H	α-helix	trans	-58.1	-50.2	175.1	173.3	-98.7	0	0	0	112	L33 F34 I35 I39 L40 V41 T116 A119 L120	L33-F37 VanDerWaalsContact O-CB 3.26Å; L33-F37 WeakPolarHBondContact O-CB 3.49Å; L33-F37 PolarHBondContact O-N 3.15Å; F34-F37 WeakPolarHBondContact O-CB 3.4Å; F34-F37 PolarHBondContact O-N 2.95Å; I35-F37 VanDerWaalsContact C-N 3.29Å; I35-F37 PolarHBondContact O-N 3.08Å; F37-I39 PolarHBondContact O-N 3.27Å; F37-L40 PolarHBondContact O-N 3.34Å; F37-V41 HydrophobicContact CD1-CG2 4.43Å; F37-V41 HydrophobicContact CE1-CG2 3.96Å; F37-V41 HydrophobicContact CE2-CG2 4.04Å; F37-V41 HydrophobicContact CZ-CG2 3.74Å; F37-V41 WeakPolarHBondContact O-CG2 3.24Å; F37-V41 PolarHBondContact O-N 3.15Å; F37-T116 HydrophobicContact CE2-CG2 4.41Å; F37-T116 HydrophobicContact CZ-CG2 4.01Å; F37-A119 HydrophobicContact CD2-CB 3.58Å; F37-A119 HydrophobicContact CE2-CB 3.59Å; F37-L120 HydrophobicContact CD2-CD2 4.2Å; F37-L120 HydrophobicContact CD2-CG 4.46Å; F37-L120 HydrophobicContact CE2-CD2 3.84Å; F37-L120 HydrophobicContact CE2-CG 3.77Å
38	W	93.2	Very high	90.7	Very high	125 Å²	125	80.6 Å²	80.6	47%	0.473	39%	0.393	S	S	.	.	H	α-helix	trans	-68	-34.7	179.8	-76.9	109.3	0	0	0	113.4	F34 I35 L40 V41 G42 F112	F34-W38 AromaticContact CE1-CD1 3.64Å; F34-W38 AromaticContact CE1-NE1 3.59Å; F34-W38 AromaticContact CE2-NE1 3.39Å; F34-W38 AromaticContact CZ-CD1 3.66Å; F34-W38 AromaticContact CZ-NE1 3.1Å; F34-W38 VanDerWaalsContact O-CD1 3.29Å; F34-W38 PolarHBondContact O-N 3.25Å; I35-W38 PolarHBondContact O-N 2.89Å; W38-L40 VanDerWaalsContact C-N 3.35Å; W38-V41 HydrophobicContact CE3-CG1 4.5Å; W38-V41 PolarHBondContact O-N 3.39Å; W38-G42 PolarHBondContact O-N 2.73Å; W38-F112 HydrophobicContact CZ3-CE2 4.45Å
39	I	92.6	Very high	90.8	Very high	103 Å²	103	76 Å²	76	53%	0.528	37%	0.369	S	S	.	.	H	α-helix	trans	-61.8	-44.9	172.8	-68.2	170	0	0	0	110.3	I35 F36 F37 G42 L43	I35-I39 HydrophobicContact CG2-CD1 3.77Å; I35-I39 HydrophobicContact CG2-CG1 4.43Å; I35-I39 WeakPolarHBondContact O-CG1 3.14Å; I35-I39 PolarHBondContact O-N 3.26Å; F36-I39 PolarHBondContact O-N 3.03Å; F37-I39 PolarHBondContact O-N 3.27Å; I39-G42 PolarHBondContact O-N 3.36Å; I39-L43 WeakPolarHBondContact O-CB 3.27Å; I39-L43 PolarHBondContact O-N 3.01Å
40	L	92.3	Very high	90.9	Very high	25 Å²	25	77.7 Å²	77.7	13%	0.131	38%	0.384	C	S	.	.	H	α-helix	trans	-63.6	-43.4	176.9	-74.4	172.5	0	0	0	112	F36 F37 W38 G42 L43 V44 A119 I122	F36-L40 HydrophobicContact CD1-CD1 3.84Å; F36-L40 HydrophobicContact CE1-CD1 3.49Å; F36-L40 VanDerWaalsContact CE1-CD1 3.49Å; F36-L40 HydrophobicContact CE1-CG 4.31Å; F36-L40 HydrophobicContact CE2-CD1 4.32Å; F36-L40 HydrophobicContact CE2-CD2 4.48Å; F36-L40 HydrophobicContact CE2-CG 4.29Å; F36-L40 HydrophobicContact CG-CD1 4.4Å; F36-L40 HydrophobicContact CZ-CD1 3.75Å; F36-L40 HydrophobicContact CZ-CD2 4.29Å; F36-L40 HydrophobicContact CZ-CG 4.15Å; F36-L40 WeakPolarHBondContact O-CG 3.46Å; F36-L40 PolarHBondContact O-N 2.92Å; F37-L40 PolarHBondContact O-N 3.34Å; W38-L40 VanDerWaalsContact C-N 3.35Å; L40-G42 VanDerWaalsContact C-N 3.35Å; L40-G42 PolarHBondContact O-N 3.42Å; L40-L43 PolarHBondContact O-N 3.21Å; L40-V44 VanDerWaalsContact O-CG2 3.32Å; L40-V44 WeakPolarHBondContact O-CG2 3.41Å; L40-V44 PolarHBondContact O-N 3.37Å; L40-A119 HydrophobicContact CB-CB 3.69Å; L40-A119 HydrophobicContact CD1-CB 4.3Å; L40-I122 HydrophobicContact CD1-CB 3.95Å; L40-I122 HydrophobicContact CD1-CD1 4.42Å; L40-I122 HydrophobicContact CD1-CG2 3.73Å; L40-I122 HydrophobicContact CD2-CD1 4.36Å
41	V	92.3	Very high	90.8	Very high	3 Å²	3	80.9 Å²	80.9	2%	0.018	39%	0.388	C	S	.	.	H	α-helix	trans	-59.3	-47.4	176.3	171.3	0	0	0	0	110.6	F37 W38 L43 V44 L45 F112 A115 A119	F37-V41 HydrophobicContact CD1-CG2 4.43Å; F37-V41 HydrophobicContact CE1-CG2 3.96Å; F37-V41 HydrophobicContact CE2-CG2 4.04Å; F37-V41 HydrophobicContact CZ-CG2 3.74Å; F37-V41 WeakPolarHBondContact O-CG2 3.24Å; F37-V41 PolarHBondContact O-N 3.15Å; W38-V41 HydrophobicContact CE3-CG1 4.5Å; W38-V41 PolarHBondContact O-N 3.39Å; V41-L43 PolarHBondContact O-N 3.27Å; V41-V44 PolarHBondContact O-N 3.14Å; V41-L45 HydrophobicContact CG1-CD1 3.98Å; V41-L45 HydrophobicContact CG1-CG 4.46Å; V41-L45 WeakPolarHBondContact O-CB 3.4Å; V41-L45 VanDerWaalsContact O-CG 3.32Å; V41-L45 WeakPolarHBondContact O-CG 3.22Å; V41-L45 PolarHBondContact O-N 3.38Å; V41-F112 HydrophobicContact CG1-CD2 4.23Å; V41-F112 HydrophobicContact CG1-CE2 4.1Å; V41-A115 HydrophobicContact CG1-CB 4.2Å; V41-A119 HydrophobicContact CG2-CB 3.79Å
42	G	90.4	Very high	90.7	Very high	38 Å²	38	75.7 Å²	75.7	39%	0.392	37%	0.369	S	S	.	.	H	α-helix	trans	-60.4	-42.5	177.1	0	0	0	0	0	113.1	W38 I39 L40 L45 W46	W38-G42 PolarHBondContact O-N 2.73Å; I39-G42 PolarHBondContact O-N 3.36Å; L40-G42 VanDerWaalsContact C-N 3.35Å; L40-G42 PolarHBondContact O-N 3.42Å; G42-L45 PolarHBondContact O-N 3.13Å; G42-W46 WeakPolarHBondContact O-CB 3.48Å; G42-W46 PolarHBondContact O-N 2.97Å
43	L	91.1	Very high	90.6	Very high	93 Å²	93	72.9 Å²	72.9	49%	0.487	35%	0.35	S	S	.	.	H	α-helix	trans	-65.7	-45.7	178.7	-165.7	160.7	0	0	0	111.5	I39 L40 V41 L45 W46 V47	I39-L43 WeakPolarHBondContact O-CB 3.27Å; I39-L43 PolarHBondContact O-N 3.01Å; L40-L43 PolarHBondContact O-N 3.21Å; V41-L43 PolarHBondContact O-N 3.27Å; L43-L45 VanDerWaalsContact C-N 3.35Å; L43-L45 PolarHBondContact O-N 3.36Å; L43-W46 PolarHBondContact O-N 3.17Å; L43-V47 HydrophobicContact CD2-CG2 4.07Å; L43-V47 WeakPolarHBondContact O-CG2 3.38Å; L43-V47 PolarHBondContact O-N 2.9Å
44	V	90.4	Very high	90.6	Very high	26 Å²	26	74.6 Å²	74.6	16%	0.158	36%	0.356	C	S	.	.	H	α-helix	trans	-65.1	-40.3	178.8	177	0	0	0	0	111.1	L40 V41 V47 K48 A115 V118	L40-V44 VanDerWaalsContact O-CG2 3.32Å; L40-V44 WeakPolarHBondContact O-CG2 3.41Å; L40-V44 PolarHBondContact O-N 3.37Å; V41-V44 PolarHBondContact O-N 3.14Å; V44-V47 PolarHBondContact O-N 3.16Å; V44-K48 HydrophobicContact CG1-CG 4.23Å; V44-K48 WeakPolarHBondContact O-CB 3.46Å; V44-K48 WeakPolarHBondContact O-CG 3.41Å; V44-K48 PolarHBondContact O-N 3.4Å; V44-A115 HydrophobicContact CB-CB 3.71Å; V44-A115 HydrophobicContact CG1-CB 3.65Å; V44-V118 HydrophobicContact CG2-CG1 4.34Å
45	L	91.5	Very high	90.5	Very high	21 Å²	21	71.1 Å²	71.1	11%	0.11	34%	0.344	C	S	.	.	H	α-helix	trans	-61.8	-44.2	174.7	-75.7	175.2	0	0	0	111.9	V41 G42 L43 V47 K48 I49 L108 A111 F112 A115	V41-L45 HydrophobicContact CG1-CD1 3.98Å; V41-L45 HydrophobicContact CG1-CG 4.46Å; V41-L45 WeakPolarHBondContact O-CB 3.4Å; V41-L45 VanDerWaalsContact O-CG 3.32Å; V41-L45 WeakPolarHBondContact O-CG 3.22Å; V41-L45 PolarHBondContact O-N 3.38Å; G42-L45 PolarHBondContact O-N 3.13Å; L43-L45 VanDerWaalsContact C-N 3.35Å; L43-L45 PolarHBondContact O-N 3.36Å; L45-V47 VanDerWaalsContact C-N 3.3Å; L45-V47 PolarHBondContact O-N 3.18Å; L45-K48 PolarHBondContact O-N 3.4Å; L45-I49 PolarHBondContact O-N 2.99Å; L45-L108 HydrophobicContact CD2-CD1 4.47Å; L45-A111 HydrophobicContact CD2-CB 3.86Å; L45-F112 HydrophobicContact CD1-CD2 4.36Å; L45-F112 HydrophobicContact CD2-CB 4.36Å; L45-A115 HydrophobicContact CD2-CB 4.48Å; L45-A115 HydrophobicContact CG-CB 4.24Å
46	W	88.9	Confident	90.5	Very high	209 Å²	209	67.7 Å²	67.7	79%	0.792	33%	0.327	S	S	*	.	H	α-helix	trans	-62.7	-35.4	178.4	-178.1	55.6	0	0	0	113	G42 L43	G42-W46 WeakPolarHBondContact O-CB 3.48Å; G42-W46 PolarHBondContact O-N 2.97Å; L43-W46 PolarHBondContact O-N 3.17Å
47	V	89.1	Confident	90.4	Very high	105 Å²	105	64.2 Å²	64.2	64%	0.636	31%	0.311	S	S	*	.	H	α-helix	trans	-77.1	-34.6	177.2	173	0	0	0	0	112.2	L43 V44 L45	L43-V47 HydrophobicContact CD2-CG2 4.07Å; L43-V47 WeakPolarHBondContact O-CG2 3.38Å; L43-V47 PolarHBondContact O-N 2.9Å; V44-V47 PolarHBondContact O-N 3.16Å; L45-V47 VanDerWaalsContact C-N 3.3Å; L45-V47 PolarHBondContact O-N 3.18Å
48	K	88.2	Confident	90.3	Very high	134 Å²	134	65.1 Å²	65.1	58%	0.583	32%	0.321	S	S	*	.	H	α-helix	trans	-86.1	-31.9	-173.8	-77	-70.7	-177.1	179.3	0	114.3	V44 L45 A111 L114	V44-K48 HydrophobicContact CG1-CG 4.23Å; V44-K48 WeakPolarHBondContact O-CB 3.46Å; V44-K48 WeakPolarHBondContact O-CG 3.41Å; V44-K48 PolarHBondContact O-N 3.4Å; L45-K48 PolarHBondContact O-N 3.4Å; K48-A111 HydrophobicContact CB-CB 4.26Å; K48-L114 HydrophobicContact CD-CD2 4.45Å
49	I	89.5	Confident	90.1	Very high	17 Å²	17	60.3 Å²	60.3	9%	0.087	30%	0.304	C	S	.	.	S	Bend	trans	-123.8	137.4	-170.9	-61	-172.8	0	0	0	110.2	L45 T53 F54 Q107 L108 A111	L45-I49 PolarHBondContact O-N 2.99Å; I49-T53 HydrophobicContact CG2-CG2 3.74Å; I49-F54 HydrophobicContact CG2-CB 4.03Å; I49-Q107 WeakPolarHBondContact CD1-O 3.38Å; I49-L108 HydrophobicContact CD1-CB 4.41Å; I49-L108 HydrophobicContact CD1-CD1 4.1Å; I49-A111 HydrophobicContact CD1-CB 3.29Å; I49-A111 HydrophobicContact CG1-CB 3.68Å
50	S	88	Confident	90.1	Very high	67 Å²	67	57.4 Å²	57.4	47%	0.469	29%	0.287	S	S	.	.			trans	-67.3	148.9	171.3	73.4	0	0	0	0	111.2	Q52 T53 F54	S50-Q52 PolarHBondContact O-N 2.81Å; S50-T53 PolarHBondContact O-N 2.86Å; S50-T53 PolarHBondContact OG-N 2.84Å; S50-T53 PolarHBondContact OG-OG1 3.4Å; S50-T53 VanDerWaalsContact OG-OG1 3.1Å; S50-F54 PolarHBondContact O-N 2.9Å
51	W	87.1	Confident	90	Very high	185 Å²	185	60.7 Å²	60.7	70%	0.701	30%	0.298	S	S	*	.	H	α-helix	trans	-51.3	-38.5	178.9	-176.9	-110.3	0	0	0	113.3	F54 V55	W51-F54 HydrophobicContact CE3-CD1 4.21Å; W51-F54 AromaticContact CZ3-CD1 3.99Å; W51-F54 HydrophobicContact CZ3-CD1 3.99Å; W51-F54 HydrophobicContact CZ3-CE1 4.21Å; W51-F54 PolarHBondContact O-N 2.67Å; W51-V55 HydrophobicContact CD2-CG2 4.23Å; W51-V55 HydrophobicContact CZ2-CG2 3.98Å; W51-V55 WeakPolarHBondContact O-CG2 3.5Å; W51-V55 PolarHBondContact O-N 3.2Å
52	Q	89	Confident	89.8	Confident	42 Å²	42	67.5 Å²	67.5	20%	0.196	32%	0.323	C	S	.	.	H	α-helix	trans	-61.9	-50.8	176.5	-172.4	-174.1	-61.9	0	0	112.5	S50 F54 V55 N56 Q82 Y100	S50-Q52 PolarHBondContact O-N 2.81Å; Q52-F54 VanDerWaalsContact C-N 3.29Å; Q52-F54 PolarHBondContact O-N 3.28Å; Q52-V55 PolarHBondContact O-N 2.69Å; Q52-N56 WeakPolarHBondContact O-CB 3.47Å; Q52-N56 PolarHBondContact O-N 3.32Å; Q52-N56 PolarHBondContact O-ND2 2.96Å; Q52-Q82 WeakPolarHBondContact CG-O 3.44Å; Q52-Y100 PolarHBondContact NE2-OH 2.64Å
53	T	89.2	Confident	89.7	Confident	14 Å²	14	65.8 Å²	65.8	9%	0.086	31%	0.305	C	S	.	.	H	α-helix	trans	-65.8	-34.3	-179.3	-57.8	0	0	0	0	111.2	I49 S50 G57 W103 C104 Q107	I49-T53 HydrophobicContact CG2-CG2 3.74Å; S50-T53 PolarHBondContact O-N 2.86Å; S50-T53 PolarHBondContact OG-N 2.84Å; S50-T53 PolarHBondContact OG-OG1 3.4Å; S50-T53 VanDerWaalsContact OG-OG1 3.1Å; T53-G57 PolarHBondContact O-N 3.28Å; T53-W103 HydrophobicContact CG2-CH2 4.43Å; T53-W103 HydrophobicContact CG2-CZ3 3.89Å; T53-C104 HydrophobicContact CG2-CB 4.19Å; T53-Q107 HydrophobicContact CG2-CB 4.1Å
54	F	90.4	Very high	89.6	Confident	65 Å²	65	63.2 Å²	63.2	29%	0.285	29%	0.293	S	S	.	.	H	α-helix	trans	-63	-52.8	175.1	174.4	-99.8	0	0	0	112.1	I49 S50 W51 Q52 G57 C58 L108	I49-F54 HydrophobicContact CG2-CB 4.03Å; S50-F54 PolarHBondContact O-N 2.9Å; W51-F54 HydrophobicContact CE3-CD1 4.21Å; W51-F54 AromaticContact CZ3-CD1 3.99Å; W51-F54 HydrophobicContact CZ3-CD1 3.99Å; W51-F54 HydrophobicContact CZ3-CE1 4.21Å; W51-F54 PolarHBondContact O-N 2.67Å; Q52-F54 VanDerWaalsContact C-N 3.29Å; Q52-F54 PolarHBondContact O-N 3.28Å; F54-G57 PolarHBondContact O-N 3.2Å; F54-C58 PolarHBondContact O-N 2.9Å; F54-C58 PolarHBondContact O-SG 2.91Å; F54-L108 HydrophobicContact CD2-CD1 3.57Å; F54-L108 HydrophobicContact CE2-CD1 3.98Å
55	V	89.9	Confident	89.3	Confident	43 Å²	43	66.5 Å²	66.5	26%	0.261	31%	0.314	S	S	.	.	H	α-helix	trans	-62.4	-47.1	-179.3	173.1	0	0	0	0	111	W51 Q52 G57 C58 I59	W51-V55 HydrophobicContact CD2-CG2 4.23Å; W51-V55 HydrophobicContact CZ2-CG2 3.98Å; W51-V55 WeakPolarHBondContact O-CG2 3.5Å; W51-V55 PolarHBondContact O-N 3.2Å; Q52-V55 PolarHBondContact O-N 2.69Å; V55-G57 VanDerWaalsContact C-N 3.34Å; V55-G57 PolarHBondContact O-N 2.86Å; V55-C58 WeakPolarHBondContact O-CB 3.33Å; V55-C58 PolarHBondContact O-N 3.23Å; V55-I59 HydrophobicContact CG1-CD1 4.21Å; V55-I59 WeakPolarHBondContact O-CG1 3.33Å; V55-I59 PolarHBondContact O-N 3.39Å
56	N	91.4	Very high	89	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-65.3	-38	179	-69.1	-18.7	0	0	0	111.8	Q52 C58 I59 Y60 Q82 Y100 M101 C104	Q52-N56 WeakPolarHBondContact O-CB 3.47Å; Q52-N56 PolarHBondContact O-N 3.32Å; Q52-N56 PolarHBondContact O-ND2 2.96Å; N56-C58 VanDerWaalsContact C-N 3.35Å; N56-C58 PolarHBondContact O-N 3.46Å; N56-I59 PolarHBondContact O-N 3.24Å; N56-Y60 PolarHBondContact O-N 3.43Å; N56-Q82 PolarHBondContact ND2-O 2.86Å; N56-Y100 HydrophobicContact CB-CE1 4.43Å; N56-Y100 WeakPolarHBondContact ND2-CE1 3.26Å; N56-Y100 PolarHBondContact ND2-OH 2.88Å; N56-M101 HydrophobicContact CB-CE 3.79Å; N56-M101 HydrophobicContact CB-SD 4.04Å; N56-C104 HydrophobicContact CB-CB 4.16Å
57	G	90.6	Very high	88.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-38.2	172.7	0	0	0	0	0	112.8	T53 F54 V55 Y60 W61	T53-G57 PolarHBondContact O-N 3.28Å; F54-G57 PolarHBondContact O-N 3.2Å; V55-G57 VanDerWaalsContact C-N 3.34Å; V55-G57 PolarHBondContact O-N 2.86Å; G57-Y60 PolarHBondContact O-N 3.43Å; G57-W61 PolarHBondContact O-N 3Å
58	C	90.9	Very high	87.9	Confident	51 Å²	51	61.4 Å²	61.4	35%	0.345	31%	0.312	S	S	.	.	H	α-helix	trans	-66.2	-40.4	175.2	-68.6	0	0	0	0	111.6	F54 V55 N56 Y60 W61 W62	F54-C58 PolarHBondContact O-N 2.9Å; F54-C58 PolarHBondContact O-SG 2.91Å; V55-C58 WeakPolarHBondContact O-CB 3.33Å; V55-C58 PolarHBondContact O-N 3.23Å; N56-C58 VanDerWaalsContact C-N 3.35Å; N56-C58 PolarHBondContact O-N 3.46Å; C58-Y60 VanDerWaalsContact C-N 3.33Å; C58-W61 PolarHBondContact O-N 3.22Å; C58-W62 VanDerWaalsContact O-CB 3.25Å; C58-W62 WeakPolarHBondContact O-CB 3.39Å; C58-W62 PolarHBondContact O-N 3Å
59	I	89.8	Confident	87.2	Confident	24 Å²	24	60.6 Å²	60.6	12%	0.123	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-44	175	-67.2	167.6	0	0	0	110.5	V55 N56 W62 C63 Y79 V95	V55-I59 HydrophobicContact CG1-CD1 4.21Å; V55-I59 WeakPolarHBondContact O-CG1 3.33Å; V55-I59 PolarHBondContact O-N 3.39Å; N56-I59 PolarHBondContact O-N 3.24Å; I59-W62 PolarHBondContact O-N 3.09Å; I59-C63 PolarHBondContact O-N 3.42Å; I59-C63 PolarHBondContact O-SG 3.39Å; I59-Y79 HydrophobicContact CG2-CD1 4.02Å; I59-Y79 HydrophobicContact CG2-CG 3.98Å; I59-V95 HydrophobicContact CG2-CG1 4.17Å; I59-V95 HydrophobicContact CG2-CG2 4.31Å
60	Y	91.7	Very high	86.2	Confident	42 Å²	42	61.7 Å²	61.7	17%	0.165	32%	0.315	C	S	.	.	H	α-helix	trans	-57.1	-56.2	175.5	174.9	-96.7	0	0	0	111.2	N56 G57 C58 W62 C63 T64 V95 L96 M101 I102	N56-Y60 PolarHBondContact O-N 3.43Å; G57-Y60 PolarHBondContact O-N 3.43Å; C58-Y60 VanDerWaalsContact C-N 3.33Å; Y60-W62 VanDerWaalsContact C-N 3.31Å; Y60-W62 PolarHBondContact O-N 3.23Å; Y60-C63 WeakPolarHBondContact O-CB 3.41Å; Y60-C63 PolarHBondContact O-N 3.48Å; Y60-C63 VanDerWaalsContact O-N 3.09Å; Y60-T64 PolarHBondContact O-N 3.02Å; Y60-T64 PolarHBondContact O-OG1 3.43Å; Y60-V95 HydrophobicContact CD2-CG1 4.43Å; Y60-L96 HydrophobicContact CD2-CD2 4.46Å; Y60-L96 HydrophobicContact CE2-CD2 4.13Å; Y60-M101 HydrophobicContact CD2-CB 4.09Å; Y60-I102 HydrophobicContact CE2-CB 4.32Å; Y60-I102 HydrophobicContact CE2-CG1 3.7Å
61	W	90.6	Very high	85.2	Confident	95 Å²	95	66.2 Å²	66.2	36%	0.36	33%	0.334	S	S	.	.	H	α-helix	trans	-62.4	-35.1	179.9	-82.9	102	0	0	0	113.2	G57 C58 T64 T65 G105 W109	G57-W61 PolarHBondContact O-N 3Å; C58-W61 PolarHBondContact O-N 3.22Å; W61-T64 WeakPolarHBondContact O-CB 3.47Å; W61-T64 PolarHBondContact O-N 3.35Å; W61-T65 WeakPolarHBondContact O-CG2 3.33Å; W61-T65 PolarHBondContact O-N 3.25Å; W61-T65 PolarHBondContact O-OG1 2.89Å; W61-G105 PolarHBondContact NE1-O 2.87Å; W61-G105 VanDerWaalsContact NE1-O 3.07Å; W61-W109 HydrophobicContact CH2-CD2 4.42Å; W61-W109 HydrophobicContact CH2-CE3 4.2Å; W61-W109 HydrophobicContact CZ2-CB 3.89Å; W61-W109 AromaticContact CZ2-CD2 3.96Å; W61-W109 HydrophobicContact CZ2-CD2 3.96Å; W61-W109 AromaticContact CZ2-CE3 3.83Å; W61-W109 HydrophobicContact CZ2-CE3 3.83Å; W61-W109 AromaticContact CZ2-CG 3.99Å; W61-W109 HydrophobicContact CZ2-CG 3.99Å
62	W	89.2	Confident	84.3	Confident	146 Å²	146	64.6 Å²	64.6	55%	0.553	34%	0.338	S	S	*	.	H	α-helix	trans	-61	-46.6	172.4	-179.2	-103.3	0	0	0	111.6	C58 I59 Y60 T64 T65 L66 Y79	C58-W62 VanDerWaalsContact O-CB 3.25Å; C58-W62 WeakPolarHBondContact O-CB 3.39Å; C58-W62 PolarHBondContact O-N 3Å; I59-W62 PolarHBondContact O-N 3.09Å; Y60-W62 VanDerWaalsContact C-N 3.31Å; Y60-W62 PolarHBondContact O-N 3.23Å; W62-T64 VanDerWaalsContact C-N 3.3Å; W62-T64 PolarHBondContact O-N 3.46Å; W62-T65 PolarHBondContact O-N 2.95Å; W62-T65 PolarHBondContact O-OG1 2.89Å; W62-L66 HydrophobicContact CD2-CD1 4.3Å; W62-L66 HydrophobicContact CG-CD1 4.41Å; W62-L66 HydrophobicContact CZ2-CD1 4Å; W62-L66 VanDerWaalsContact NE1-CD1 3.26Å; W62-L66 WeakPolarHBondContact O-CG 3.46Å; W62-L66 PolarHBondContact O-N 3.08Å; W62-L66 VanDerWaalsContact O-N 3.13Å; W62-Y79 AromaticContact CD1-CE1 3.71Å; W62-Y79 AromaticContact CD1-CZ 3.89Å; W62-Y79 PolarHBondContact NE1-OH 3.02Å
63	C	88.2	Confident	83.2	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.007	34%	0.344	C	S	.	.	H	α-helix	trans	-63.8	-36.6	175.6	-65.9	0	0	0	0	112	I59 Y60 L66 E67 Y79 A92 V95 L96	I59-C63 PolarHBondContact O-N 3.42Å; I59-C63 PolarHBondContact O-SG 3.39Å; Y60-C63 WeakPolarHBondContact O-CB 3.41Å; Y60-C63 PolarHBondContact O-N 3.48Å; Y60-C63 VanDerWaalsContact O-N 3.09Å; C63-L66 PolarHBondContact O-N 3.21Å; C63-E67 PolarHBondContact O-N 3.09Å; C63-E67 VanDerWaalsContact O-N 3.15Å; C63-Y79 VanDerWaalsContact SG-CE2 3.58Å; C63-A92 HydrophobicContact CB-CB 4.27Å; C63-V95 HydrophobicContact CB-CB 4.49Å; C63-V95 HydrophobicContact CB-CG1 4.08Å; C63-L96 HydrophobicContact CB-CD2 4.17Å; C63-L96 HydrophobicContact CB-CG 4.13Å
64	T	87	Confident	82	Confident	39 Å²	39	77.4 Å²	77.4	24%	0.239	39%	0.387	C	S	.	.	H	α-helix	trans	-64.1	-45.7	174.9	-50.1	0	0	0	0	111.2	Y60 W61 W62 L66 E67 L96	Y60-T64 PolarHBondContact O-N 3.02Å; Y60-T64 PolarHBondContact O-OG1 3.43Å; W61-T64 WeakPolarHBondContact O-CB 3.47Å; W61-T64 PolarHBondContact O-N 3.35Å; W62-T64 VanDerWaalsContact C-N 3.3Å; W62-T64 PolarHBondContact O-N 3.46Å; T64-L66 PolarHBondContact O-N 2.98Å; T64-E67 VanDerWaalsContact O-CB 3.28Å; T64-E67 WeakPolarHBondContact O-CB 3.39Å; T64-E67 PolarHBondContact O-N 2.87Å; T64-E67 VanDerWaalsContact O-N 3.17Å; T64-L96 WeakPolarHBondContact OG1-CD2 3.38Å
65	T	85.7	Confident	81.2	Confident	96 Å²	96	78.9 Å²	78.9	59%	0.589	41%	0.405	S	S	*	.	H	α-helix	trans	-62.9	-29.3	177.5	54.9	0	0	0	0	113.2	W61 W62	W61-T65 WeakPolarHBondContact O-CG2 3.33Å; W61-T65 PolarHBondContact O-N 3.25Å; W61-T65 PolarHBondContact O-OG1 2.89Å; W62-T65 PolarHBondContact O-N 2.95Å; W62-T65 PolarHBondContact O-OG1 2.89Å
66	L	84	Confident	80.3	Confident	37 Å²	37	80.5 Å²	80.5	19%	0.194	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-2.2	179.5	-70.8	176.3	0	0	0	114	W62 C63 T64 G68 M69 R70	W62-L66 HydrophobicContact CD2-CD1 4.3Å; W62-L66 HydrophobicContact CG-CD1 4.41Å; W62-L66 HydrophobicContact CZ2-CD1 4Å; W62-L66 VanDerWaalsContact NE1-CD1 3.26Å; W62-L66 WeakPolarHBondContact O-CG 3.46Å; W62-L66 PolarHBondContact O-N 3.08Å; W62-L66 VanDerWaalsContact O-N 3.13Å; C63-L66 PolarHBondContact O-N 3.21Å; T64-L66 PolarHBondContact O-N 2.98Å; L66-G68 VanDerWaalsContact C-N 3.28Å; L66-G68 PolarHBondContact O-N 3.02Å; L66-M69 HydrophobicContact CD2-SD 4.46Å; L66-M69 PolarHBondContact O-N 3.13Å; L66-R70 PolarHBondContact O-N 2.87Å; L66-R70 VanDerWaalsContact O-N 3.16Å
67	E	79.4	Confident	79.7	Confident	115 Å²	115	82.7 Å²	82.7	54%	0.537	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-55.1	-42.8	-174	-172.5	172.7	-169.3	0	0	112.3	C63 T64 R70 L96	C63-E67 PolarHBondContact O-N 3.09Å; C63-E67 VanDerWaalsContact O-N 3.15Å; T64-E67 VanDerWaalsContact O-CB 3.28Å; T64-E67 WeakPolarHBondContact O-CB 3.39Å; T64-E67 PolarHBondContact O-N 2.87Å; T64-E67 VanDerWaalsContact O-N 3.17Å; E67-R70 WeakPolarHBondContact O-CB 3.49Å; E67-R70 PolarHBondContact O-N 3.49Å; E67-L96 HydrophobicContact CB-CD1 4.41Å; E67-L96 HydrophobicContact CG-CD1 4.21Å
68	G	75.8	Confident	79.3	Confident	75 Å²	75	87 Å²	87	77%	0.773	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-73.8	-22.1	177.4	0	0	0	0	0	115.2	L66 R70	L66-G68 VanDerWaalsContact C-N 3.28Å; L66-G68 PolarHBondContact O-N 3.02Å; G68-R70 VanDerWaalsContact C-N 3.32Å
69	M	74	Confident	78.9	Confident	117 Å²	117	86.3 Å²	86.3	58%	0.576	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-91.6	0.3	177	-63.9	-168.1	-156.8	0	0	112.7	L66 D71 L72	L66-M69 HydrophobicContact CD2-SD 4.46Å; L66-M69 PolarHBondContact O-N 3.13Å; M69-D71 VanDerWaalsContact C-N 3.34Å; M69-D71 PolarHBondContact O-N 2.92Å; M69-L72 WeakPolarHBondContact O-CB 3.23Å; M69-L72 PolarHBondContact O-N 3.01Å; M69-L72 VanDerWaalsContact O-N 3.1Å
70	R	67.8	Low	78.7	Confident	41 Å²	41	90 Å²	90	16%	0.155	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-70.8	-32.8	-166.1	-158.1	168.6	176.9	-148.9	-18.1	113.5	L66 E67 G68 L72 I73 A92 A93	L66-R70 PolarHBondContact O-N 2.87Å; L66-R70 VanDerWaalsContact O-N 3.16Å; E67-R70 WeakPolarHBondContact O-CB 3.49Å; E67-R70 PolarHBondContact O-N 3.49Å; G68-R70 VanDerWaalsContact C-N 3.32Å; R70-L72 PolarHBondContact O-N 3.12Å; R70-I73 PolarHBondContact O-N 2.7Å; R70-A92 VanDerWaalsContact CZ-C 3.44Å; R70-A92 VanDerWaalsContact CZ-CB 3.46Å; R70-A93 VanDerWaalsContact NH1-CB 3.25Å; R70-A93 VanDerWaalsContact NH1-N 3.17Å; R70-A93 VanDerWaalsContact NH2-CA 3.29Å
71	D	67.3	Low	78.4	Confident	162 Å²	162	88.2 Å²	88.2	87%	0.866	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-69.9	-19.2	175.1	-65.8	-22.2	0	0	0	112.6	M69	M69-D71 VanDerWaalsContact C-N 3.34Å; M69-D71 PolarHBondContact O-N 2.92Å
72	L	67.8	Low	77.9	Confident	151 Å²	151	88.8 Å²	88.8	79%	0.791	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-79.6	-20.8	175.3	-95.6	72.8	0	0	0	112.8	M69 R70 R74	M69-L72 WeakPolarHBondContact O-CB 3.23Å; M69-L72 PolarHBondContact O-N 3.01Å; M69-L72 VanDerWaalsContact O-N 3.1Å; R70-L72 PolarHBondContact O-N 3.12Å; L72-R74 PolarHBondContact O-N 2.86Å
73	I	66.3	Low	77.7	Confident	63 Å²	63	86.4 Å²	86.4	32%	0.323	45%	0.45	S	S	.	.			trans	-92.7	104	-172.1	-56.5	172	0	0	0	109.9	R70 S75	R70-I73 PolarHBondContact O-N 2.7Å; I73-S75 VanDerWaalsContact C-N 3.26Å; I73-S75 WeakPolarHBondContact CG2-O 3.24Å; I73-S75 PolarHBondContact O-N 3.4Å
74	R	64.6	Low	77.4	Confident	262 Å²	262	95 Å²	95	99%	0.989	48%	0.483	S	S	*	.	S	Bend	trans	-55.8	-33.5	178.4	-90.3	-175.4	178.8	174.9	0.5	114.4	L72	L72-R74 PolarHBondContact O-N 2.86Å
75	S	72.9	Confident	77.1	Confident	95 Å²	95	97 Å²	97	66%	0.664	51%	0.511	S	S	*	.	S	Bend	trans	-117.6	105	179.8	56.5	0	0	0	0	110.2	I73 P77	I73-S75 VanDerWaalsContact C-N 3.26Å; I73-S75 WeakPolarHBondContact CG2-O 3.24Å; I73-S75 PolarHBondContact O-N 3.4Å; S75-P77 WeakPolarHBondContact O-CD 3.41Å
76	Q	71.4	Confident	77	Confident	77 Å²	77	99.3 Å²	99.3	36%	0.36	51%	0.513	S	S	.	.			trans	-61	119.8	-179.8	-68.1	-80.4	-35.5	0	0	110.1
77	P	77.9	Confident	77	Confident	48 Å²	48	101.4 Å²	101.4	31%	0.312	53%	0.527	S	S	.	.			trans	-63.6	142.8	176.2	24.7	-31.7	0	0	0	110.6	S75 Y79	S75-P77 WeakPolarHBondContact O-CD 3.41Å; P77-Y79 HydrophobicContact CB-CE2 4.12Å; P77-Y79 HydrophobicContact CG-CE2 3.88Å
78	V	82.3	Confident	77.4	Confident	90 Å²	90	100.6 Å²	100.6	55%	0.545	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.9	174.9	-179.7	0	0	0	0	108	R89	V78-R89 HydrophobicContact CG1-CB 3.62Å; V78-R89 HydrophobicContact CG1-CG 3.98Å
79	Y	84.1	Confident	77.8	Confident	36 Å²	36	105.7 Å²	105.7	14%	0.141	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.8	-180	-60.3	-88.6	0	0	0	110	I59 W62 C63 P77 R89 M90 A92	I59-Y79 HydrophobicContact CG2-CD1 4.02Å; I59-Y79 HydrophobicContact CG2-CG 3.98Å; W62-Y79 AromaticContact CD1-CE1 3.71Å; W62-Y79 AromaticContact CD1-CZ 3.89Å; W62-Y79 PolarHBondContact NE1-OH 3.02Å; C63-Y79 VanDerWaalsContact SG-CE2 3.58Å; P77-Y79 HydrophobicContact CB-CE2 4.12Å; P77-Y79 HydrophobicContact CG-CE2 3.88Å; Y79-R89 WeakPolarHBondContact O-CA 3.2Å; Y79-M90 PolarHBondContact N-O 2.79Å; Y79-M90 PolarHBondContact O-N 3.49Å; Y79-A92 HydrophobicContact CE2-CB 4.05Å
80	E	84.7	Confident	78.3	Confident	102 Å²	102	101.9 Å²	101.9	48%	0.477	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.1	174.8	-69.4	-164.7	162.5	0	0	110.2	T87 F88 R89	E80-T87 HydrophobicContact CB-CG2 3.72Å; E80-T87 HydrophobicContact CG-CG2 4.09Å; E80-F88 CarbonylContact C-O 3.54Å; E80-F88 WeakPolarHBondContact CA-O 3.33Å; E80-R89 HydrophobicContact CG-CG 4.15Å; E80-R89 IonicContact OE1-CZ 2.95Å; E80-R89 IonicContact OE1-NE 3.44Å; E80-R89 PolarHBondContact OE1-NE 3.06Å; E80-R89 VanDerWaalsContact OE1-NE 3.09Å; E80-R89 IonicContact OE1-NH2 3.41Å; E80-R89 PolarHBondContact OE1-NH2 3.42Å
81	I	85.4	Confident	79.1	Confident	5 Å²	5	102.3 Å²	102.3	3%	0.026	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.4	-175.4	-64.3	159.2	0	0	0	108.4	T87 F88 M90 V95 M101	I81-T87 CarbonylContact O-C 3.58Å; I81-T87 WeakPolarHBondContact O-CA 3.33Å; I81-F88 HydrophobicContact CB-CB 4.23Å; I81-F88 PolarHBondContact N-O 3.45Å; I81-F88 PolarHBondContact O-N 2.94Å; I81-M90 HydrophobicContact CD1-CB 3.54Å; I81-M90 HydrophobicContact CD1-CG 3.47Å; I81-M90 VanDerWaalsContact CD1-CG 3.47Å; I81-M90 HydrophobicContact CD1-SD 3.12Å; I81-M90 WeakPolarHBondContact CD1-SD 3.43Å; I81-V95 HydrophobicContact CD1-CG2 4.22Å; I81-M101 HydrophobicContact CB-CE 3.8Å; I81-M101 HydrophobicContact CD1-CE 3.5Å; I81-M101 HydrophobicContact CG1-CE 3.37Å; I81-M101 HydrophobicContact CG2-CE 3.11Å
82	Q	80.7	Confident	79.9	Confident	107 Å²	107	94.9 Å²	94.9	50%	0.5	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.3	177.3	-65.7	-178.7	1.8	0	0	109.8	Q52 N56	Q52-Q82 WeakPolarHBondContact CG-O 3.44Å; N56-Q82 PolarHBondContact ND2-O 2.86Å
83	Y	84.2	Confident	80.6	Confident	96 Å²	96	89.2 Å²	89.2	38%	0.376	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	107.3	176.7	-175.4	-100.9	0	0	0	110	G85 K86 F88 Y100	Y83-G85 VanDerWaalsContact C-N 3.29Å; Y83-G85 PolarHBondContact O-N 2.98Å; Y83-K86 PolarHBondContact N-O 3.37Å; Y83-K86 PolarHBondContact O-N 3.48Å; Y83-F88 HydrophobicContact CD1-CE2 4.4Å; Y83-Y100 HydrophobicContact CD2-CD1 4.27Å; Y83-Y100 HydrophobicContact CD2-CD2 4.32Å; Y83-Y100 AromaticContact CD2-CE1 3.68Å; Y83-Y100 HydrophobicContact CD2-CE1 3.68Å; Y83-Y100 AromaticContact CD2-CE2 3.77Å; Y83-Y100 HydrophobicContact CD2-CE2 3.77Å; Y83-Y100 AromaticContact CD2-CZ 3.41Å; Y83-Y100 VanDerWaalsContact CD2-CZ 3.41Å; Y83-Y100 AromaticContact CE2-CD2 3.9Å; Y83-Y100 HydrophobicContact CE2-CD2 3.9Å; Y83-Y100 HydrophobicContact CE2-CE1 4.24Å; Y83-Y100 AromaticContact CE2-CE2 3.53Å; Y83-Y100 HydrophobicContact CE2-CE2 3.53Å; Y83-Y100 HydrophobicContact CE2-CG 4.42Å; Y83-Y100 AromaticContact CE2-CZ 3.72Å
84	Y	81.5	Confident	81.5	Confident	182 Å²	182	90.7 Å²	90.7	71%	0.714	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	48.4	-179.8	-66.1	-86.2	0	0	0	113.5	K86	Y84-K86 VanDerWaalsContact C-N 3.33Å; Y84-K86 PolarHBondContact O-N 3.5Å
85	G	80.9	Confident	82.5	Confident	80 Å²	80	78.2 Å²	78.2	83%	0.825	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-0.5	178.3	0	0	0	0	0	115.7	Y83	Y83-G85 VanDerWaalsContact C-N 3.29Å; Y83-G85 PolarHBondContact O-N 2.98Å
86	K	84.4	Confident	83.1	Confident	145 Å²	145	74.7 Å²	74.7	63%	0.63	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	139.6	173.1	-64.5	-176.2	-179.4	179.7	0	110.8	Y83 Y84 F88	Y83-K86 PolarHBondContact N-O 3.37Å; Y83-K86 PolarHBondContact O-N 3.48Å; Y84-K86 VanDerWaalsContact C-N 3.33Å; Y84-K86 PolarHBondContact O-N 3.5Å; K86-F88 HydrophobicContact CB-CE2 3.77Å; K86-F88 HydrophobicContact CB-CZ 4.13Å; K86-F88 HydrophobicContact CD-CZ 4.47Å
87	T	84.4	Confident	83.9	Confident	80 Å²	80	78.2 Å²	78.2	49%	0.491	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.2	177.9	-46.1	0	0	0	0	110.3	E80 I81	E80-T87 HydrophobicContact CB-CG2 3.72Å; E80-T87 HydrophobicContact CG-CG2 4.09Å; I81-T87 CarbonylContact O-C 3.58Å; I81-T87 WeakPolarHBondContact O-CA 3.33Å
88	F	86.6	Confident	84.4	Confident	98 Å²	98	78.2 Å²	78.2	43%	0.43	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	137.4	175.6	-62.8	-86.7	0	0	0	109.6	E80 I81 Y83 K86	E80-F88 CarbonylContact C-O 3.54Å; E80-F88 WeakPolarHBondContact CA-O 3.33Å; I81-F88 HydrophobicContact CB-CB 4.23Å; I81-F88 PolarHBondContact N-O 3.45Å; I81-F88 PolarHBondContact O-N 2.94Å; Y83-F88 HydrophobicContact CD1-CE2 4.4Å; K86-F88 HydrophobicContact CB-CE2 3.77Å; K86-F88 HydrophobicContact CB-CZ 4.13Å; K86-F88 HydrophobicContact CD-CZ 4.47Å
89	R	84.2	Confident	84.7	Confident	182 Å²	182	82.4 Å²	82.4	69%	0.687	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	113.2	176.7	-78.8	-177.7	178	172.1	0.7	109.1	V78 Y79 E80	V78-R89 HydrophobicContact CG1-CB 3.62Å; V78-R89 HydrophobicContact CG1-CG 3.98Å; Y79-R89 WeakPolarHBondContact O-CA 3.2Å; E80-R89 HydrophobicContact CG-CG 4.15Å; E80-R89 IonicContact OE1-CZ 2.95Å; E80-R89 IonicContact OE1-NE 3.44Å; E80-R89 PolarHBondContact OE1-NE 3.06Å; E80-R89 VanDerWaalsContact OE1-NE 3.09Å; E80-R89 IonicContact OE1-NH2 3.41Å; E80-R89 PolarHBondContact OE1-NH2 3.42Å
90	M	84.2	Confident	85	Confident	37 Å²	37	83 Å²	83	18%	0.182	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.8	177.1	-71.4	178	125.3	0	0	110.4	Y79 I81 Q94 V95 D98	Y79-M90 PolarHBondContact N-O 2.79Å; Y79-M90 PolarHBondContact O-N 3.49Å; I81-M90 HydrophobicContact CD1-CB 3.54Å; I81-M90 HydrophobicContact CD1-CG 3.47Å; I81-M90 VanDerWaalsContact CD1-CG 3.47Å; I81-M90 HydrophobicContact CD1-SD 3.12Å; I81-M90 WeakPolarHBondContact CD1-SD 3.43Å; M90-Q94 HydrophobicContact CB-CB 3.85Å; M90-Q94 HydrophobicContact CE-CB 3.96Å; M90-Q94 HydrophobicContact CG-CB 4.01Å; M90-Q94 HydrophobicContact SD-CB 4.38Å; M90-V95 HydrophobicContact CB-CG2 3.89Å; M90-D98 HydrophobicContact CE-CB 3.67Å; M90-D98 HydrophobicContact SD-CB 4.39Å
91	N	85.4	Confident	85.2	Confident	50 Å²	50	78.2 Å²	78.2	27%	0.267	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	167.2	163.7	70.6	25.8	0	0	0	110.2	A93 Q94 V95	N91-A93 PolarHBondContact O-N 3.11Å; N91-A93 WeakPolarHBondContact OD1-CB 3.26Å; N91-A93 PolarHBondContact OD1-N 3.31Å; N91-Q94 PolarHBondContact O-N 3.19Å; N91-Q94 WeakPolarHBondContact OD1-CB 3.34Å; N91-Q94 WeakPolarHBondContact OD1-CG 3.39Å; N91-Q94 PolarHBondContact OD1-N 3.1Å; N91-V95 WeakPolarHBondContact O-CG2 3.23Å; N91-V95 PolarHBondContact O-N 2.87Å
92	A	83.5	Confident	85.4	Confident	6 Å²	6	80.3 Å²	80.3	5%	0.05	39%	0.388	C	S	.	.	H	α-helix	trans	-56.3	-22	179.7	0	0	0	0	0	115	C63 R70 Y79 L96	C63-A92 HydrophobicContact CB-CB 4.27Å; R70-A92 VanDerWaalsContact CZ-C 3.44Å; R70-A92 VanDerWaalsContact CZ-CB 3.46Å; Y79-A92 HydrophobicContact CE2-CB 4.05Å; A92-L96 VanDerWaalsContact O-CG 3.29Å; A92-L96 WeakPolarHBondContact O-CG 3.42Å; A92-L96 PolarHBondContact O-N 3.39Å; A92-L96 VanDerWaalsContact O-N 3.13Å
93	A	82.7	Confident	85.9	Confident	32 Å²	32	80.9 Å²	80.9	26%	0.264	39%	0.386	S	S	.	.	H	α-helix	trans	-82.7	-43.3	-176	0	0	0	0	0	109.2	R70 N91 V95 L96 H97	R70-A93 VanDerWaalsContact NH1-CB 3.25Å; R70-A93 VanDerWaalsContact NH1-N 3.17Å; R70-A93 VanDerWaalsContact NH2-CA 3.29Å; N91-A93 PolarHBondContact O-N 3.11Å; N91-A93 WeakPolarHBondContact OD1-CB 3.26Å; N91-A93 PolarHBondContact OD1-N 3.31Å; A93-V95 VanDerWaalsContact C-N 3.29Å; A93-L96 PolarHBondContact O-N 3.19Å; A93-H97 PolarHBondContact O-N 2.9Å; A93-H97 PolarHBondContact O-ND1 2.91Å
94	Q	85.5	Confident	86.2	Confident	95 Å²	95	76.3 Å²	76.3	44%	0.444	37%	0.368	S	S	.	.	H	α-helix	trans	-59.2	-43.6	171.3	-71.1	170.5	-26.9	0	0	110	M90 N91 L96 H97 D98	M90-Q94 HydrophobicContact CB-CB 3.85Å; M90-Q94 HydrophobicContact CE-CB 3.96Å; M90-Q94 HydrophobicContact CG-CB 4.01Å; M90-Q94 HydrophobicContact SD-CB 4.38Å; N91-Q94 PolarHBondContact O-N 3.19Å; N91-Q94 WeakPolarHBondContact OD1-CB 3.34Å; N91-Q94 WeakPolarHBondContact OD1-CG 3.39Å; N91-Q94 PolarHBondContact OD1-N 3.1Å; Q94-L96 PolarHBondContact O-N 3.25Å; Q94-H97 PolarHBondContact O-N 3.49Å; Q94-D98 WeakPolarHBondContact O-CB 3.4Å; Q94-D98 PolarHBondContact O-N 3.19Å
95	V	86	Confident	86.6	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-58.3	-47.7	174.6	173.7	0	0	0	0	111.9	I59 Y60 C63 I81 M90 N91 A93 H97 D98 M101	I59-V95 HydrophobicContact CG2-CG1 4.17Å; I59-V95 HydrophobicContact CG2-CG2 4.31Å; Y60-V95 HydrophobicContact CD2-CG1 4.43Å; C63-V95 HydrophobicContact CB-CB 4.49Å; C63-V95 HydrophobicContact CB-CG1 4.08Å; I81-V95 HydrophobicContact CD1-CG2 4.22Å; M90-V95 HydrophobicContact CB-CG2 3.89Å; N91-V95 WeakPolarHBondContact O-CG2 3.23Å; N91-V95 PolarHBondContact O-N 2.87Å; A93-V95 VanDerWaalsContact C-N 3.29Å; V95-H97 VanDerWaalsContact C-N 3.34Å; V95-H97 PolarHBondContact O-N 3.49Å; V95-D98 PolarHBondContact O-N 3.2Å; V95-M101 HydrophobicContact CG1-CB 4.28Å; V95-M101 HydrophobicContact CG1-CG 4.08Å; V95-M101 HydrophobicContact CG1-SD 4.27Å; V95-M101 WeakPolarHBondContact O-CB 3.16Å
96	L	86.1	Confident	87.1	Confident	20 Å²	20	69.6 Å²	69.6	11%	0.105	32%	0.321	C	S	.	.	H	α-helix	trans	-69.9	-26.9	-176.8	-72	171	0	0	0	114.1	Y60 C63 T64 E67 A92 A93 Q94	Y60-L96 HydrophobicContact CD2-CD2 4.46Å; Y60-L96 HydrophobicContact CE2-CD2 4.13Å; C63-L96 HydrophobicContact CB-CD2 4.17Å; C63-L96 HydrophobicContact CB-CG 4.13Å; T64-L96 WeakPolarHBondContact OG1-CD2 3.38Å; E67-L96 HydrophobicContact CB-CD1 4.41Å; E67-L96 HydrophobicContact CG-CD1 4.21Å; A92-L96 VanDerWaalsContact O-CG 3.29Å; A92-L96 WeakPolarHBondContact O-CG 3.42Å; A92-L96 PolarHBondContact O-N 3.39Å; A92-L96 VanDerWaalsContact O-N 3.13Å; A93-L96 PolarHBondContact O-N 3.19Å; Q94-L96 PolarHBondContact O-N 3.25Å
97	H	87.8	Confident	87.4	Confident	152 Å²	152	66.2 Å²	66.2	70%	0.704	31%	0.308	S	S	*	.	H	α-helix	trans	-98.4	-8.4	179.8	-68.2	71.8	0	0	0	113.5	A93 Q94 V95	A93-H97 PolarHBondContact O-N 2.9Å; A93-H97 PolarHBondContact O-ND1 2.91Å; Q94-H97 PolarHBondContact O-N 3.49Å; V95-H97 VanDerWaalsContact C-N 3.34Å; V95-H97 PolarHBondContact O-N 3.49Å
98	D	88.7	Confident	87.7	Confident	48 Å²	48	63.1 Å²	63.1	26%	0.257	29%	0.289	S	S	.	.			trans	-77.4	126.4	-178.8	179.9	77.7	0	0	0	111.4	M90 Q94 V95 Y100 M101 I102	M90-D98 HydrophobicContact CE-CB 3.67Å; M90-D98 HydrophobicContact SD-CB 4.39Å; Q94-D98 WeakPolarHBondContact O-CB 3.4Å; Q94-D98 PolarHBondContact O-N 3.19Å; V95-D98 PolarHBondContact O-N 3.2Å; D98-Y100 VanDerWaalsContact C-N 3.28Å; D98-Y100 PolarHBondContact O-N 2.69Å; D98-Y100 WeakPolarHBondContact OD2-CA 3.22Å; D98-Y100 VanDerWaalsContact OD2-CB 3.27Å; D98-Y100 WeakPolarHBondContact OD2-CB 3.48Å; D98-Y100 PolarHBondContact OD2-N 3.17Å; D98-M101 HydrophobicContact CB-CB 4.08Å; D98-M101 HydrophobicContact CB-CG 4.18Å; D98-M101 PolarHBondContact O-N 3.11Å; D98-M101 PolarHBondContact OD2-N 3.41Å; D98-I102 WeakPolarHBondContact O-CG1 3.48Å; D98-I102 PolarHBondContact O-N 2.94Å
99	K	87.8	Confident	88	Confident	178 Å²	178	65 Å²	65	77%	0.774	29%	0.293	S	S	*	.	H	α-helix	trans	-61.9	-35.2	-176.5	-67.7	-176.8	179	-179.5	0	112.7	W103	K99-W103 WeakPolarHBondContact O-CB 3.48Å; K99-W103 PolarHBondContact O-N 2.81Å; K99-W103 VanDerWaalsContact O-N 3.08Å
100	Y	90.1	Very high	88.3	Confident	49 Å²	49	59.1 Å²	59.1	19%	0.192	28%	0.28	C	S	.	.	H	α-helix	trans	-71.7	-39	178.8	166	-104.7	0	0	0	111.1	Q52 N56 Y83 D98 W103 C104	Q52-Y100 PolarHBondContact NE2-OH 2.64Å; N56-Y100 HydrophobicContact CB-CE1 4.43Å; N56-Y100 WeakPolarHBondContact ND2-CE1 3.26Å; N56-Y100 PolarHBondContact ND2-OH 2.88Å; Y83-Y100 HydrophobicContact CD2-CD1 4.27Å; Y83-Y100 HydrophobicContact CD2-CD2 4.32Å; Y83-Y100 AromaticContact CD2-CE1 3.68Å; Y83-Y100 HydrophobicContact CD2-CE1 3.68Å; Y83-Y100 AromaticContact CD2-CE2 3.77Å; Y83-Y100 HydrophobicContact CD2-CE2 3.77Å; Y83-Y100 AromaticContact CD2-CZ 3.41Å; Y83-Y100 VanDerWaalsContact CD2-CZ 3.41Å; Y83-Y100 AromaticContact CE2-CD2 3.9Å; Y83-Y100 HydrophobicContact CE2-CD2 3.9Å; Y83-Y100 HydrophobicContact CE2-CE1 4.24Å; Y83-Y100 AromaticContact CE2-CE2 3.53Å; Y83-Y100 HydrophobicContact CE2-CE2 3.53Å; Y83-Y100 HydrophobicContact CE2-CG 4.42Å; Y83-Y100 AromaticContact CE2-CZ 3.72Å; D98-Y100 VanDerWaalsContact C-N 3.28Å; D98-Y100 PolarHBondContact O-N 2.69Å; D98-Y100 WeakPolarHBondContact OD2-CA 3.22Å; D98-Y100 VanDerWaalsContact OD2-CB 3.27Å; D98-Y100 WeakPolarHBondContact OD2-CB 3.48Å; D98-Y100 PolarHBondContact OD2-N 3.17Å; Y100-W103 HydrophobicContact CD2-CE3 4.37Å; Y100-W103 HydrophobicContact CE2-CE3 4.26Å; Y100-W103 HydrophobicContact CE2-CZ3 4.37Å; Y100-W103 PolarHBondContact O-N 3.1Å; Y100-C104 WeakPolarHBondContact CE2-SG 3.23Å; Y100-C104 PolarHBondContact O-N 3.17Å; Y100-C104 PolarHBondContact O-SG 2.89Å; Y100-C104 PolarHBondContact OH-SG 3.22Å
101	M	89.3	Confident	88.6	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-45.4	174.6	-78.1	-65	158.9	0	0	113.2	N56 Y60 I81 V95 D98 W103 C104 G105	N56-M101 HydrophobicContact CB-CE 3.79Å; N56-M101 HydrophobicContact CB-SD 4.04Å; Y60-M101 HydrophobicContact CD2-CB 4.09Å; I81-M101 HydrophobicContact CB-CE 3.8Å; I81-M101 HydrophobicContact CD1-CE 3.5Å; I81-M101 HydrophobicContact CG1-CE 3.37Å; I81-M101 HydrophobicContact CG2-CE 3.11Å; V95-M101 HydrophobicContact CG1-CB 4.28Å; V95-M101 HydrophobicContact CG1-CG 4.08Å; V95-M101 HydrophobicContact CG1-SD 4.27Å; V95-M101 WeakPolarHBondContact O-CB 3.16Å; D98-M101 HydrophobicContact CB-CB 4.08Å; D98-M101 HydrophobicContact CB-CG 4.18Å; D98-M101 PolarHBondContact O-N 3.11Å; D98-M101 PolarHBondContact OD2-N 3.41Å; M101-W103 VanDerWaalsContact C-N 3.29Å; M101-W103 PolarHBondContact O-N 2.89Å; M101-C104 PolarHBondContact O-N 3.46Å; M101-G105 PolarHBondContact O-N 2.96Å
102	I	89.4	Confident	88.9	Confident	50 Å²	50	58.8 Å²	58.8	26%	0.256	28%	0.276	S	S	.	.	H	α-helix	trans	-56.8	-46.9	173.7	-65.6	163.9	0	0	0	109.8	Y60 D98 C104 G105 E106	Y60-I102 HydrophobicContact CE2-CB 4.32Å; Y60-I102 HydrophobicContact CE2-CG1 3.7Å; D98-I102 WeakPolarHBondContact O-CG1 3.48Å; D98-I102 PolarHBondContact O-N 2.94Å; I102-C104 PolarHBondContact O-N 2.59Å; I102-G105 WeakPolarHBondContact O-CA 3.18Å; I102-G105 PolarHBondContact O-N 3.41Å; I102-G105 VanDerWaalsContact O-N 3.14Å; I102-E106 HydrophobicContact CG2-CG 4.49Å; I102-E106 WeakPolarHBondContact O-CG 3.38Å; I102-E106 PolarHBondContact O-N 3.44Å
103	W	91.1	Very high	89.4	Confident	119 Å²	119	61.4 Å²	61.4	45%	0.451	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-43.2	177.2	179	85.5	0	0	0	112.6	T53 K99 Y100 M101 G105 E106 Q107	T53-W103 HydrophobicContact CG2-CH2 4.43Å; T53-W103 HydrophobicContact CG2-CZ3 3.89Å; K99-W103 WeakPolarHBondContact O-CB 3.48Å; K99-W103 PolarHBondContact O-N 2.81Å; K99-W103 VanDerWaalsContact O-N 3.08Å; Y100-W103 HydrophobicContact CD2-CE3 4.37Å; Y100-W103 HydrophobicContact CE2-CE3 4.26Å; Y100-W103 HydrophobicContact CE2-CZ3 4.37Å; Y100-W103 PolarHBondContact O-N 3.1Å; M101-W103 VanDerWaalsContact C-N 3.29Å; M101-W103 PolarHBondContact O-N 2.89Å; W103-G105 VanDerWaalsContact C-N 3.3Å; W103-G105 PolarHBondContact O-N 2.9Å; W103-E106 PolarHBondContact O-N 3.31Å; W103-Q107 HydrophobicContact CD2-CG 3.93Å; W103-Q107 HydrophobicContact CE3-CG 4.25Å; W103-Q107 HydrophobicContact CH2-CG 3.97Å; W103-Q107 HydrophobicContact CZ2-CG 3.62Å; W103-Q107 HydrophobicContact CZ3-CG 4.27Å; W103-Q107 WeakPolarHBondContact O-CB 3.29Å; W103-Q107 VanDerWaalsContact O-CG 3.31Å; W103-Q107 WeakPolarHBondContact O-CG 3.31Å; W103-Q107 PolarHBondContact O-N 3.46Å
104	C	90.2	Very high	89.8	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.7	-38.7	175.2	-67.2	0	0	0	0	111.7	T53 N56 Y100 M101 I102 L108	T53-C104 HydrophobicContact CG2-CB 4.19Å; N56-C104 HydrophobicContact CB-CB 4.16Å; Y100-C104 WeakPolarHBondContact CE2-SG 3.23Å; Y100-C104 PolarHBondContact O-N 3.17Å; Y100-C104 PolarHBondContact O-SG 2.89Å; Y100-C104 PolarHBondContact OH-SG 3.22Å; M101-C104 PolarHBondContact O-N 3.46Å; I102-C104 PolarHBondContact O-N 2.59Å; C104-L108 WeakPolarHBondContact O-CB 3.41Å; C104-L108 PolarHBondContact O-N 3.49Å
105	G	89.8	Confident	90.1	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-45.6	174.4	0	0	0	0	0	113.1	W61 M101 I102 W103 L108 W109	W61-G105 PolarHBondContact NE1-O 2.87Å; W61-G105 VanDerWaalsContact NE1-O 3.07Å; M101-G105 PolarHBondContact O-N 2.96Å; I102-G105 WeakPolarHBondContact O-CA 3.18Å; I102-G105 PolarHBondContact O-N 3.41Å; I102-G105 VanDerWaalsContact O-N 3.14Å; W103-G105 VanDerWaalsContact C-N 3.3Å; W103-G105 PolarHBondContact O-N 2.9Å; G105-L108 PolarHBondContact O-N 2.93Å; G105-W109 WeakPolarHBondContact O-CB 3.27Å; G105-W109 PolarHBondContact O-N 3.46Å
106	E	91.8	Very high	90.4	Very high	119 Å²	119	60.6 Å²	60.6	56%	0.556	29%	0.287	S	S	*	.	H	α-helix	trans	-65.9	-41.5	176.4	-72.5	-179.7	172.7	0	0	112.4	I102 W103 W109 S110	I102-E106 HydrophobicContact CG2-CG 4.49Å; I102-E106 WeakPolarHBondContact O-CG 3.38Å; I102-E106 PolarHBondContact O-N 3.44Å; W103-E106 PolarHBondContact O-N 3.31Å; E106-W109 PolarHBondContact O-N 3.08Å; E106-S110 WeakPolarHBondContact O-CB 3.3Å; E106-S110 PolarHBondContact O-N 3.04Å; E106-S110 PolarHBondContact O-OG 2.97Å
107	Q	90.5	Very high	90.8	Very high	74 Å²	74	63.4 Å²	63.4	35%	0.346	31%	0.305	S	S	.	.	H	α-helix	trans	-63.6	-46.6	175	-71.2	-59.2	-44.6	0	0	111.1	I49 T53 W103 W109 S110 A111	I49-Q107 WeakPolarHBondContact CD1-O 3.38Å; T53-Q107 HydrophobicContact CG2-CB 4.1Å; W103-Q107 HydrophobicContact CD2-CG 3.93Å; W103-Q107 HydrophobicContact CE3-CG 4.25Å; W103-Q107 HydrophobicContact CH2-CG 3.97Å; W103-Q107 HydrophobicContact CZ2-CG 3.62Å; W103-Q107 HydrophobicContact CZ3-CG 4.27Å; W103-Q107 WeakPolarHBondContact O-CB 3.29Å; W103-Q107 VanDerWaalsContact O-CG 3.31Å; W103-Q107 WeakPolarHBondContact O-CG 3.31Å; W103-Q107 PolarHBondContact O-N 3.46Å; Q107-W109 VanDerWaalsContact C-N 3.34Å; Q107-W109 PolarHBondContact O-N 3.25Å; Q107-S110 WeakPolarHBondContact CA-OG 3.46Å; Q107-S110 PolarHBondContact O-N 3.3Å; Q107-S110 PolarHBondContact O-OG 3.42Å; Q107-A111 WeakPolarHBondContact O-CB 3.31Å; Q107-A111 PolarHBondContact O-N 3.18Å
108	L	91.7	Very high	91	Very high	16 Å²	16	58.8 Å²	58.8	8%	0.084	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-46	176	-177.1	61.6	0	0	0	111.7	L45 I49 F54 C104 G105 F112	L45-L108 HydrophobicContact CD2-CD1 4.47Å; I49-L108 HydrophobicContact CD1-CB 4.41Å; I49-L108 HydrophobicContact CD1-CD1 4.1Å; F54-L108 HydrophobicContact CD2-CD1 3.57Å; F54-L108 HydrophobicContact CE2-CD1 3.98Å; C104-L108 WeakPolarHBondContact O-CB 3.41Å; C104-L108 PolarHBondContact O-N 3.49Å; G105-L108 PolarHBondContact O-N 2.93Å; L108-F112 WeakPolarHBondContact O-CB 3.23Å; L108-F112 PolarHBondContact O-N 3.37Å
109	W	91.7	Very high	91.2	Very high	137 Å²	137	56.6 Å²	56.6	52%	0.519	28%	0.275	S	S	.	.	H	α-helix	trans	-63.1	-49.7	179	179.9	-110	0	0	0	112.5	W61 G105 E106 Q107 A111 F112 V113	W61-W109 HydrophobicContact CH2-CD2 4.42Å; W61-W109 HydrophobicContact CH2-CE3 4.2Å; W61-W109 HydrophobicContact CZ2-CB 3.89Å; W61-W109 AromaticContact CZ2-CD2 3.96Å; W61-W109 HydrophobicContact CZ2-CD2 3.96Å; W61-W109 AromaticContact CZ2-CE3 3.83Å; W61-W109 HydrophobicContact CZ2-CE3 3.83Å; W61-W109 AromaticContact CZ2-CG 3.99Å; W61-W109 HydrophobicContact CZ2-CG 3.99Å; G105-W109 WeakPolarHBondContact O-CB 3.27Å; G105-W109 PolarHBondContact O-N 3.46Å; E106-W109 PolarHBondContact O-N 3.08Å; Q107-W109 VanDerWaalsContact C-N 3.34Å; Q107-W109 PolarHBondContact O-N 3.25Å; W109-A111 PolarHBondContact O-N 3.02Å; W109-F112 HydrophobicContact CZ3-CD1 4.4Å; W109-F112 PolarHBondContact O-N 3.24Å; W109-V113 HydrophobicContact CD2-CG2 4.22Å; W109-V113 HydrophobicContact CZ2-CG2 4Å; W109-V113 WeakPolarHBondContact O-CG2 3.45Å; W109-V113 PolarHBondContact O-N 2.92Å
110	S	90.7	Very high	91.5	Very high	59 Å²	59	52.7 Å²	52.7	41%	0.413	26%	0.263	S	S	.	.	H	α-helix	trans	-63.4	-39.7	179.8	56.5	0	0	0	0	112.5	E106 Q107 L114	E106-S110 WeakPolarHBondContact O-CB 3.3Å; E106-S110 PolarHBondContact O-N 3.04Å; E106-S110 PolarHBondContact O-OG 2.97Å; Q107-S110 WeakPolarHBondContact CA-OG 3.46Å; Q107-S110 PolarHBondContact O-N 3.3Å; Q107-S110 PolarHBondContact O-OG 3.42Å; S110-L114 WeakPolarHBondContact O-CB 3.29Å; S110-L114 PolarHBondContact O-N 3.41Å
111	A	91	Very high	91.6	Very high	9 Å²	9	54.3 Å²	54.3	7%	0.074	28%	0.277	C	S	.	.	H	α-helix	trans	-69.3	-36.5	174	0	0	0	0	0	112.3	L45 K48 I49 Q107 W109 L114 A115	L45-A111 HydrophobicContact CD2-CB 3.86Å; K48-A111 HydrophobicContact CB-CB 4.26Å; I49-A111 HydrophobicContact CD1-CB 3.29Å; I49-A111 HydrophobicContact CG1-CB 3.68Å; Q107-A111 WeakPolarHBondContact O-CB 3.31Å; Q107-A111 PolarHBondContact O-N 3.18Å; W109-A111 PolarHBondContact O-N 3.02Å; A111-L114 PolarHBondContact O-N 3.43Å; A111-A115 WeakPolarHBondContact O-CB 3.45Å; A111-A115 PolarHBondContact O-N 3.01Å
112	F	92.6	Very high	91.8	Very high	70 Å²	70	57.2 Å²	57.2	31%	0.307	29%	0.292	S	S	.	.	H	α-helix	trans	-64.6	-44.2	175.8	178.1	-98.5	0	0	0	111.8	W38 V41 L45 L108 W109 A115 T116	W38-F112 HydrophobicContact CZ3-CE2 4.45Å; V41-F112 HydrophobicContact CG1-CD2 4.23Å; V41-F112 HydrophobicContact CG1-CE2 4.1Å; L45-F112 HydrophobicContact CD1-CD2 4.36Å; L45-F112 HydrophobicContact CD2-CB 4.36Å; L108-F112 WeakPolarHBondContact O-CB 3.23Å; L108-F112 PolarHBondContact O-N 3.37Å; W109-F112 HydrophobicContact CZ3-CD1 4.4Å; W109-F112 PolarHBondContact O-N 3.24Å; F112-A115 PolarHBondContact O-N 2.93Å; F112-T116 VanDerWaalsContact O-CB 3.31Å; F112-T116 WeakPolarHBondContact O-CB 3.27Å; F112-T116 PolarHBondContact O-N 2.98Å; F112-T116 PolarHBondContact O-OG1 3.09Å
113	V	92.2	Very high	91.9	Very high	62 Å²	62	55.4 Å²	55.4	38%	0.376	28%	0.284	S	S	.	.	H	α-helix	trans	-61.2	-47.3	174.8	172.1	0	0	0	0	110.3	W109 T116 V117	W109-V113 HydrophobicContact CD2-CG2 4.22Å; W109-V113 HydrophobicContact CZ2-CG2 4Å; W109-V113 WeakPolarHBondContact O-CG2 3.45Å; W109-V113 PolarHBondContact O-N 2.92Å; V113-T116 PolarHBondContact O-N 3.09Å; V113-V117 WeakPolarHBondContact O-CG2 3.43Å; V113-V117 PolarHBondContact O-N 3.43Å
114	L	91.1	Very high	92	Very high	78 Å²	78	54.6 Å²	54.6	41%	0.408	29%	0.288	S	S	.	.	H	α-helix	trans	-60.9	-46.5	176.7	-179.2	66.7	0	0	0	111.9	K48 S110 A111 T116 V117 V118	K48-L114 HydrophobicContact CD-CD2 4.45Å; S110-L114 WeakPolarHBondContact O-CB 3.29Å; S110-L114 PolarHBondContact O-N 3.41Å; A111-L114 PolarHBondContact O-N 3.43Å; L114-T116 VanDerWaalsContact C-N 3.31Å; L114-T116 PolarHBondContact O-N 3.15Å; L114-V117 PolarHBondContact O-N 3.15Å; L114-V118 HydrophobicContact CD1-CG2 4.21Å; L114-V118 HydrophobicContact CG-CG2 4.43Å; L114-V118 WeakPolarHBondContact O-CB 3.21Å; L114-V118 VanDerWaalsContact O-CG2 3.28Å; L114-V118 WeakPolarHBondContact O-CG2 3.28Å; L114-V118 PolarHBondContact O-N 3.17Å
115	A	92.4	Very high	92.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.4	-42.9	177.8	0	0	0	0	0	111.6	V41 V44 L45 A111 F112 A119	V41-A115 HydrophobicContact CG1-CB 4.2Å; V44-A115 HydrophobicContact CB-CB 3.71Å; V44-A115 HydrophobicContact CG1-CB 3.65Å; L45-A115 HydrophobicContact CD2-CB 4.48Å; L45-A115 HydrophobicContact CG-CB 4.24Å; A111-A115 WeakPolarHBondContact O-CB 3.45Å; A111-A115 PolarHBondContact O-N 3.01Å; F112-A115 PolarHBondContact O-N 2.93Å; A115-A119 WeakPolarHBondContact O-CB 3.36Å; A115-A119 PolarHBondContact O-N 2.74Å
116	T	93	Very high	92.2	Very high	32 Å²	32	61.2 Å²	61.2	20%	0.196	32%	0.324	C	S	.	.	H	α-helix	trans	-63.1	-47.9	176.7	-62.8	0	0	0	0	111.5	F37 F112 V113 L114 A119 L120	F37-T116 HydrophobicContact CE2-CG2 4.41Å; F37-T116 HydrophobicContact CZ-CG2 4.01Å; F112-T116 VanDerWaalsContact O-CB 3.31Å; F112-T116 WeakPolarHBondContact O-CB 3.27Å; F112-T116 PolarHBondContact O-N 2.98Å; F112-T116 PolarHBondContact O-OG1 3.09Å; V113-T116 PolarHBondContact O-N 3.09Å; L114-T116 VanDerWaalsContact C-N 3.31Å; L114-T116 PolarHBondContact O-N 3.15Å; T116-A119 PolarHBondContact O-N 3.25Å; T116-L120 HydrophobicContact CG2-CD1 4.09Å; T116-L120 HydrophobicContact CG2-CG 4.41Å; T116-L120 WeakPolarHBondContact O-CB 3.29Å; T116-L120 VanDerWaalsContact O-CG 3.29Å; T116-L120 WeakPolarHBondContact O-CG 3.27Å; T116-L120 PolarHBondContact O-N 3.33Å
117	V	93.3	Very high	92.3	Very high	79 Å²	79	59.7 Å²	59.7	48%	0.479	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-47.2	178.9	172.5	0	0	0	0	111	V113 L114 A119 L120 V121	V113-V117 WeakPolarHBondContact O-CG2 3.43Å; V113-V117 PolarHBondContact O-N 3.43Å; L114-V117 PolarHBondContact O-N 3.15Å; V117-A119 PolarHBondContact O-N 3.44Å; V117-L120 PolarHBondContact O-N 3.05Å; V117-V121 WeakPolarHBondContact O-CG2 3.18Å; V117-V121 PolarHBondContact O-N 3.05Å
118	V	92.1	Very high	92.3	Very high	55 Å²	55	62.2 Å²	62.2	33%	0.333	33%	0.325	S	S	.	.	H	α-helix	trans	-61.5	-46	178	171.7	0	0	0	0	110.7	V44 L114 V121 I122	V44-V118 HydrophobicContact CG2-CG1 4.34Å; L114-V118 HydrophobicContact CD1-CG2 4.21Å; L114-V118 HydrophobicContact CG-CG2 4.43Å; L114-V118 WeakPolarHBondContact O-CB 3.21Å; L114-V118 VanDerWaalsContact O-CG2 3.28Å; L114-V118 WeakPolarHBondContact O-CG2 3.28Å; L114-V118 PolarHBondContact O-N 3.17Å; V118-V121 PolarHBondContact O-N 3.28Å; V118-I122 HydrophobicContact CG1-CD1 3.74Å; V118-I122 VanDerWaalsContact O-CG1 3.26Å; V118-I122 WeakPolarHBondContact O-CG1 3.37Å; V118-I122 PolarHBondContact O-N 3.46Å
119	A	93.2	Very high	92.3	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.008	34%	0.342	C	S	.	.	H	α-helix	trans	-64.4	-40.6	178.6	0	0	0	0	0	112.4	F37 L40 V41 A115 T116 V117 I122 C123	F37-A119 HydrophobicContact CD2-CB 3.58Å; F37-A119 HydrophobicContact CE2-CB 3.59Å; L40-A119 HydrophobicContact CB-CB 3.69Å; L40-A119 HydrophobicContact CD1-CB 4.3Å; V41-A119 HydrophobicContact CG2-CB 3.79Å; A115-A119 WeakPolarHBondContact O-CB 3.36Å; A115-A119 PolarHBondContact O-N 2.74Å; T116-A119 PolarHBondContact O-N 3.25Å; V117-A119 PolarHBondContact O-N 3.44Å; A119-I122 PolarHBondContact O-N 2.89Å; A119-C123 VanDerWaalsContact O-CB 3.3Å; A119-C123 WeakPolarHBondContact O-CB 3.43Å; A119-C123 PolarHBondContact O-N 3.4Å; A119-C123 PolarHBondContact O-SG 3.1Å
120	L	93.6	Very high	92.2	Very high	97 Å²	97	60.8 Å²	60.8	51%	0.508	33%	0.332	S	S	.	.	H	α-helix	trans	-62.4	-46.2	175.6	-78.8	176.7	0	0	0	111.8	F37 T116 V117 I122 C123 L124	F37-L120 HydrophobicContact CD2-CD2 4.2Å; F37-L120 HydrophobicContact CD2-CG 4.46Å; F37-L120 HydrophobicContact CE2-CD2 3.84Å; F37-L120 HydrophobicContact CE2-CG 3.77Å; T116-L120 HydrophobicContact CG2-CD1 4.09Å; T116-L120 HydrophobicContact CG2-CG 4.41Å; T116-L120 WeakPolarHBondContact O-CB 3.29Å; T116-L120 VanDerWaalsContact O-CG 3.29Å; T116-L120 WeakPolarHBondContact O-CG 3.27Å; T116-L120 PolarHBondContact O-N 3.33Å; V117-L120 PolarHBondContact O-N 3.05Å; L120-I122 PolarHBondContact O-N 3.14Å; L120-C123 PolarHBondContact O-N 3.23Å; L120-L124 VanDerWaalsContact O-CB 3.26Å; L120-L124 WeakPolarHBondContact O-CB 3.42Å; L120-L124 PolarHBondContact O-N 3.34Å
121	V	93.3	Very high	92.1	Very high	82 Å²	82	59.9 Å²	59.9	50%	0.497	33%	0.326	S	S	.	.	H	α-helix	trans	-61	-46.4	178.1	171.5	0	0	0	0	110.5	V117 V118 L124 I125	V117-V121 WeakPolarHBondContact O-CG2 3.18Å; V117-V121 PolarHBondContact O-N 3.05Å; V118-V121 PolarHBondContact O-N 3.28Å; V121-L124 PolarHBondContact O-N 3.02Å; V121-I125 HydrophobicContact CG1-CD1 3.95Å; V121-I125 VanDerWaalsContact O-CG1 3.3Å; V121-I125 WeakPolarHBondContact O-CG1 3.05Å; V121-I125 PolarHBondContact O-N 2.87Å
122	I	92.8	Very high	92.1	Very high	61 Å²	61	67.3 Å²	67.3	31%	0.313	35%	0.352	S	S	.	.	H	α-helix	trans	-63.8	-46.7	178.1	-64.8	169.2	0	0	0	110.6	F36 L40 V118 A119 L120 L124 I125 T126	F36-I122 HydrophobicContact CE1-CG2 3.9Å; F36-I122 HydrophobicContact CZ-CG2 4.18Å; L40-I122 HydrophobicContact CD1-CB 3.95Å; L40-I122 HydrophobicContact CD1-CD1 4.42Å; L40-I122 HydrophobicContact CD1-CG2 3.73Å; L40-I122 HydrophobicContact CD2-CD1 4.36Å; V118-I122 HydrophobicContact CG1-CD1 3.74Å; V118-I122 VanDerWaalsContact O-CG1 3.26Å; V118-I122 WeakPolarHBondContact O-CG1 3.37Å; V118-I122 PolarHBondContact O-N 3.46Å; A119-I122 PolarHBondContact O-N 2.89Å; L120-I122 PolarHBondContact O-N 3.14Å; I122-L124 VanDerWaalsContact C-N 3.31Å; I122-L124 PolarHBondContact O-N 3.2Å; I122-I125 PolarHBondContact O-N 3.27Å; I122-T126 PolarHBondContact O-N 2.9Å; I122-T126 PolarHBondContact O-OG1 3.31Å
123	C	93	Very high	91.9	Very high	12 Å²	12	67.5 Å²	67.5	8%	0.081	36%	0.356	C	S	.	.	H	α-helix	trans	-61.7	-38.8	178.9	-70.7	0	0	0	0	112.4	L33 A119 L120 T126 F127	L33-C123 HydrophobicContact CD2-CB 4.37Å; A119-C123 VanDerWaalsContact O-CB 3.3Å; A119-C123 WeakPolarHBondContact O-CB 3.43Å; A119-C123 PolarHBondContact O-N 3.4Å; A119-C123 PolarHBondContact O-SG 3.1Å; L120-C123 PolarHBondContact O-N 3.23Å; C123-T126 PolarHBondContact O-N 3.4Å; C123-F127 WeakPolarHBondContact O-CB 3.46Å; C123-F127 PolarHBondContact O-N 3.46Å
124	L	92.6	Very high	91.7	Very high	103 Å²	103	68.2 Å²	68.2	54%	0.539	36%	0.357	S	S	.	.	H	α-helix	trans	-65.4	-43.6	176.5	-177.8	144.6	0	0	0	111.1	L120 V121 I122 F127 F128	L120-L124 VanDerWaalsContact O-CB 3.26Å; L120-L124 WeakPolarHBondContact O-CB 3.42Å; L120-L124 PolarHBondContact O-N 3.34Å; V121-L124 PolarHBondContact O-N 3.02Å; I122-L124 VanDerWaalsContact C-N 3.31Å; I122-L124 PolarHBondContact O-N 3.2Å; L124-F127 WeakPolarHBondContact O-CB 3.38Å; L124-F127 PolarHBondContact O-N 3.37Å; L124-F128 HydrophobicContact CD2-CD2 3.76Å; L124-F128 HydrophobicContact CD2-CE2 3.59Å; L124-F128 HydrophobicContact CG-CD2 4.14Å; L124-F128 HydrophobicContact CG-CE2 3.84Å; L124-F128 WeakPolarHBondContact O-CD2 3.46Å; L124-F128 PolarHBondContact O-N 3.44Å; L124-F128 VanDerWaalsContact O-N 3.1Å
125	I	93	Very high	91.5	Very high	95 Å²	95	66.7 Å²	66.7	49%	0.487	36%	0.36	S	S	.	.	H	α-helix	trans	-60.8	-48.1	173.3	-66.8	165.6	0	0	0	110.3	V121 I122 F127 F128 V129	V121-I125 HydrophobicContact CG1-CD1 3.95Å; V121-I125 VanDerWaalsContact O-CG1 3.3Å; V121-I125 WeakPolarHBondContact O-CG1 3.05Å; V121-I125 PolarHBondContact O-N 2.87Å; I122-I125 PolarHBondContact O-N 3.27Å; I125-F127 VanDerWaalsContact C-N 3.31Å; I125-F127 PolarHBondContact O-N 3.24Å; I125-F128 PolarHBondContact O-N 3.45Å; I125-V129 HydrophobicContact CG2-CG2 4.32Å; I125-V129 WeakPolarHBondContact O-CG2 3.14Å; I125-V129 PolarHBondContact O-N 2.74Å
126	T	91.6	Very high	91.2	Very high	45 Å²	45	73.4 Å²	73.4	28%	0.276	39%	0.386	S	S	.	.	H	α-helix	trans	-58.3	-42.6	177.7	-57.6	0	0	0	0	111.6	L33 I122 C123 F128 V129 V130	L33-T126 HydrophobicContact CD2-CG2 4.08Å; I122-T126 PolarHBondContact O-N 2.9Å; I122-T126 PolarHBondContact O-OG1 3.31Å; C123-T126 PolarHBondContact O-N 3.4Å; T126-F128 PolarHBondContact O-N 2.8Å; T126-V129 PolarHBondContact O-N 3.26Å; T126-V130 HydrophobicContact CG2-CG2 4.16Å; T126-V130 WeakPolarHBondContact O-CB 3.34Å; T126-V130 VanDerWaalsContact O-CG2 3.27Å; T126-V130 WeakPolarHBondContact O-CG2 3.41Å; T126-V130 PolarHBondContact O-N 2.81Å
127	F	92	Very high	90.7	Very high	86 Å²	86	77 Å²	77	38%	0.377	40%	0.4	S	S	.	.	H	α-helix	trans	-58	-47.4	175.7	172.7	-98.4	0	0	0	112.1	M29 L33 C123 L124 I125 S131	M29-F127 HydrophobicContact CG-CD2 4.41Å; M29-F127 HydrophobicContact SD-CD2 3.49Å; M29-F127 WeakPolarHBondContact SD-CD2 3.29Å; M29-F127 HydrophobicContact SD-CE2 3.44Å; M29-F127 WeakPolarHBondContact SD-CE2 3.07Å; L33-F127 HydrophobicContact CD1-CB 3.78Å; L33-F127 HydrophobicContact CD1-CD2 3.71Å; L33-F127 HydrophobicContact CD1-CG 4.21Å; C123-F127 WeakPolarHBondContact O-CB 3.46Å; C123-F127 PolarHBondContact O-N 3.46Å; L124-F127 WeakPolarHBondContact O-CB 3.38Å; L124-F127 PolarHBondContact O-N 3.37Å; I125-F127 VanDerWaalsContact C-N 3.31Å; I125-F127 PolarHBondContact O-N 3.24Å; F127-S131 VanDerWaalsContact O-CB 3.22Å; F127-S131 WeakPolarHBondContact O-CB 3.32Å; F127-S131 PolarHBondContact O-N 3.22Å; F127-S131 PolarHBondContact O-OG 3.45Å
128	F	92.2	Very high	90.1	Very high	127 Å²	127	75.1 Å²	75.1	56%	0.557	40%	0.397	S	S	*	.	H	α-helix	trans	-65.4	-41	177.9	-80	-67.3	0	0	0	112.3	L124 I125 T126 W132	L124-F128 HydrophobicContact CD2-CD2 3.76Å; L124-F128 HydrophobicContact CD2-CE2 3.59Å; L124-F128 HydrophobicContact CG-CD2 4.14Å; L124-F128 HydrophobicContact CG-CE2 3.84Å; L124-F128 WeakPolarHBondContact O-CD2 3.46Å; L124-F128 PolarHBondContact O-N 3.44Å; L124-F128 VanDerWaalsContact O-N 3.1Å; I125-F128 PolarHBondContact O-N 3.45Å; T126-F128 PolarHBondContact O-N 2.8Å; F128-W132 VanDerWaalsContact O-CB 3.27Å; F128-W132 WeakPolarHBondContact O-CB 3.42Å; F128-W132 PolarHBondContact O-N 2.89Å
129	V	91.3	Very high	89.7	Confident	70 Å²	70	78.3 Å²	78.3	42%	0.424	41%	0.406	S	S	.	.	H	α-helix	trans	-64.2	-48.1	177.5	172.2	0	0	0	0	111.1	I125 T126 W132 I133	I125-V129 HydrophobicContact CG2-CG2 4.32Å; I125-V129 WeakPolarHBondContact O-CG2 3.14Å; I125-V129 PolarHBondContact O-N 2.74Å; T126-V129 PolarHBondContact O-N 3.26Å; V129-W132 PolarHBondContact O-N 3.32Å; V129-I133 HydrophobicContact CG1-CD1 3.77Å; V129-I133 VanDerWaalsContact O-CG1 3.28Å; V129-I133 WeakPolarHBondContact O-CG1 3.31Å; V129-I133 PolarHBondContact O-N 3.49Å
130	V	89.8	Confident	89.1	Confident	53 Å²	53	83.3 Å²	83.3	32%	0.321	43%	0.43	S	S	.	.	H	α-helix	trans	-62.7	-45.5	178	170.9	0	0	0	0	110.8	M29 T126 W132 I133 L134	M29-V130 HydrophobicContact CE-CG1 4.19Å; M29-V130 HydrophobicContact SD-CG1 4.44Å; T126-V130 HydrophobicContact CG2-CG2 4.16Å; T126-V130 WeakPolarHBondContact O-CB 3.34Å; T126-V130 VanDerWaalsContact O-CG2 3.27Å; T126-V130 WeakPolarHBondContact O-CG2 3.41Å; T126-V130 PolarHBondContact O-N 2.81Å; V130-W132 VanDerWaalsContact C-N 3.3Å; V130-W132 PolarHBondContact O-N 3.12Å; V130-I133 PolarHBondContact O-N 3.41Å; V130-L134 HydrophobicContact CG1-CD1 3.81Å; V130-L134 HydrophobicContact CG1-CG 4.29Å; V130-L134 WeakPolarHBondContact O-CB 3.27Å; V130-L134 WeakPolarHBondContact O-CG 3.43Å; V130-L134 PolarHBondContact O-N 2.94Å
131	S	88.2	Confident	88.2	Confident	40 Å²	40	84.6 Å²	84.6	28%	0.28	43%	0.433	S	S	.	.	H	α-helix	trans	-60.6	-39.6	176.9	-62.1	0	0	0	0	112	F127 G135	F127-S131 VanDerWaalsContact O-CB 3.22Å; F127-S131 WeakPolarHBondContact O-CB 3.32Å; F127-S131 PolarHBondContact O-N 3.22Å; F127-S131 PolarHBondContact O-OG 3.45Å; S131-G135 PolarHBondContact O-N 2.89Å
132	W	89.8	Confident	87.5	Confident	165 Å²	165	83.5 Å²	83.5	63%	0.625	43%	0.429	S	S	*	.	H	α-helix	trans	-67.5	-41.7	176.3	-179.8	67.4	0	0	0	112.6	F128 V129 V130 G135 R136	F128-W132 VanDerWaalsContact O-CB 3.27Å; F128-W132 WeakPolarHBondContact O-CB 3.42Å; F128-W132 PolarHBondContact O-N 2.89Å; V129-W132 PolarHBondContact O-N 3.32Å; V130-W132 VanDerWaalsContact C-N 3.3Å; V130-W132 PolarHBondContact O-N 3.12Å; W132-G135 PolarHBondContact O-N 3.47Å; W132-R136 WeakPolarHBondContact O-CB 3.15Å; W132-R136 PolarHBondContact O-N 2.85Å
133	I	90.1	Very high	87	Confident	74 Å²	74	85.2 Å²	85.2	38%	0.379	44%	0.436	S	S	.	.	H	α-helix	trans	-63.6	-49.2	176.3	-68.8	166.1	0	0	0	110.6	V129 V130 G135 R136 Q137	V129-I133 HydrophobicContact CG1-CD1 3.77Å; V129-I133 VanDerWaalsContact O-CG1 3.28Å; V129-I133 WeakPolarHBondContact O-CG1 3.31Å; V129-I133 PolarHBondContact O-N 3.49Å; V130-I133 PolarHBondContact O-N 3.41Å; I133-G135 VanDerWaalsContact C-N 3.32Å; I133-G135 PolarHBondContact O-N 2.8Å; I133-R136 PolarHBondContact O-N 2.95Å; I133-Q137 WeakPolarHBondContact O-CG 3.5Å; I133-Q137 PolarHBondContact O-N 2.97Å
134	L	87.9	Confident	86.5	Confident	77 Å²	77	88.8 Å²	88.8	40%	0.403	45%	0.454	S	S	.	.	H	α-helix	trans	-61.1	-41.4	177.6	-70.8	173.4	0	0	0	111.4	M29 V130 Q137 G138	M29-L134 HydrophobicContact CE-CD1 3.57Å; V130-L134 HydrophobicContact CG1-CD1 3.81Å; V130-L134 HydrophobicContact CG1-CG 4.29Å; V130-L134 WeakPolarHBondContact O-CB 3.27Å; V130-L134 WeakPolarHBondContact O-CG 3.43Å; V130-L134 PolarHBondContact O-N 2.94Å; L134-Q137 PolarHBondContact O-N 3.27Å; L134-G138 PolarHBondContact O-N 3.04Å
135	G	85.6	Confident	86	Confident	47 Å²	47	88.7 Å²	88.7	49%	0.485	45%	0.451	S	S	.	.	H	α-helix	trans	-63.1	-40.3	175.1	0	0	0	0	0	113	S131 W132 I133 K139	S131-G135 PolarHBondContact O-N 2.89Å; W132-G135 PolarHBondContact O-N 3.47Å; I133-G135 VanDerWaalsContact C-N 3.32Å; I133-G135 PolarHBondContact O-N 2.8Å; G135-K139 WeakPolarHBondContact O-CB 3.14Å; G135-K139 PolarHBondContact O-N 3.18Å
136	R	86.2	Confident	85.4	Confident	141 Å²	141	88.3 Å²	88.3	53%	0.532	45%	0.452	S	S	.	.	H	α-helix	trans	-67.8	-41.7	176.3	-172.7	177.6	178.9	173.8	0	112.1	W132 I133 K139 Q140	W132-R136 WeakPolarHBondContact O-CB 3.15Å; W132-R136 PolarHBondContact O-N 2.85Å; I133-R136 PolarHBondContact O-N 2.95Å; R136-K139 PolarHBondContact O-N 2.98Å; R136-Q140 WeakPolarHBondContact O-CG 3.42Å; R136-Q140 PolarHBondContact O-N 3.38Å
137	Q	83.8	Confident	84.9	Confident	106 Å²	106	89 Å²	89	50%	0.495	46%	0.457	S	S	.	.	H	α-helix	trans	-64.3	-43.8	175.5	-75.2	-178.8	-22.5	0	0	111.5	I133 L134 K139 Q140 Q141	I133-Q137 WeakPolarHBondContact O-CG 3.5Å; I133-Q137 PolarHBondContact O-N 2.97Å; L134-Q137 PolarHBondContact O-N 3.27Å; Q137-K139 VanDerWaalsContact C-N 3.32Å; Q137-K139 PolarHBondContact O-N 3.06Å; Q137-Q140 PolarHBondContact O-N 3.28Å; Q137-Q141 PolarHBondContact O-N 3.02Å; Q137-Q141 VanDerWaalsContact O-N 3.1Å
138	G	81	Confident	84.6	Confident	40 Å²	40	86 Å²	86	41%	0.412	45%	0.45	S	S	.	.	H	α-helix	trans	-60.9	-40.1	174.8	0	0	0	0	0	112.7	L134 Q141 S142	L134-G138 PolarHBondContact O-N 3.04Å; G138-Q141 PolarHBondContact O-N 2.97Å; G138-S142 PolarHBondContact O-N 2.7Å; G138-S142 VanDerWaalsContact O-N 3.12Å; G138-S142 PolarHBondContact O-OG 3.1Å
139	K	81.8	Confident	84.4	Confident	123 Å²	123	82.7 Å²	82.7	54%	0.535	45%	0.452	S	S	.	.	H	α-helix	trans	-63.7	-43.3	174.8	-175.1	172.1	175.5	177.4	0	112.5	G135 R136 Q137 Q141 S142 E143	G135-K139 WeakPolarHBondContact O-CB 3.14Å; G135-K139 PolarHBondContact O-N 3.18Å; R136-K139 PolarHBondContact O-N 2.98Å; Q137-K139 VanDerWaalsContact C-N 3.32Å; Q137-K139 PolarHBondContact O-N 3.06Å; K139-Q141 VanDerWaalsContact C-N 3.32Å; K139-Q141 PolarHBondContact O-N 3.23Å; K139-S142 WeakPolarHBondContact CA-OG 3.45Å; K139-S142 PolarHBondContact O-N 3.13Å; K139-S142 PolarHBondContact O-OG 3.01Å; K139-E143 WeakPolarHBondContact CE-OE1 3.44Å; K139-E143 HydrophobicContact CG-CG 4.28Å; K139-E143 IonicContact NZ-OE1 2.84Å; K139-E143 WeakPolarHBondContact O-CB 3.33Å; K139-E143 WeakPolarHBondContact O-CG 3.46Å; K139-E143 PolarHBondContact O-N 2.79Å
140	Q	81.3	Confident	84.4	Confident	106 Å²	106	83.2 Å²	83.2	50%	0.495	45%	0.446	S	S	.	.	H	α-helix	trans	-66.4	-30.8	179	-74.4	176.5	-21.1	0	0	113.8	R136 Q137 K524	R136-Q140 WeakPolarHBondContact O-CG 3.42Å; R136-Q140 PolarHBondContact O-N 3.38Å; Q137-Q140 PolarHBondContact O-N 3.28Å; Q140-K524 PolarHBondContact O-NZ 3.49Å
141	Q	75.9	Confident	84.6	Confident	123 Å²	123	86.5 Å²	86.5	58%	0.575	46%	0.458	S	S	*	.	H	α-helix	trans	-77.2	-33.4	176	-73.7	-65.2	-9.7	0	0	112.7	Q137 G138 K139 A505	Q137-Q141 PolarHBondContact O-N 3.02Å; Q137-Q141 VanDerWaalsContact O-N 3.1Å; G138-Q141 PolarHBondContact O-N 2.97Å; K139-Q141 VanDerWaalsContact C-N 3.32Å; K139-Q141 PolarHBondContact O-N 3.23Å; Q141-A505 WeakPolarHBondContact O-CB 3.28Å
142	S	77.3	Confident	84.9	Confident	59 Å²	59	87.4 Å²	87.4	41%	0.413	46%	0.46	S	S	.	.	H	α-helix	trans	-85.1	-17.4	-179.6	51.4	0	0	0	0	114.2	G138 K139 A505	G138-S142 PolarHBondContact O-N 2.7Å; G138-S142 VanDerWaalsContact O-N 3.12Å; G138-S142 PolarHBondContact O-OG 3.1Å; K139-S142 WeakPolarHBondContact CA-OG 3.45Å; K139-S142 PolarHBondContact O-N 3.13Å; K139-S142 PolarHBondContact O-OG 3.01Å; S142-A505 WeakPolarHBondContact O-CB 3.37Å
143	E	83.2	Confident	85.1	Confident	98 Å²	98	80.9 Å²	80.9	46%	0.458	44%	0.438	S	S	.	.	S	Bend	trans	-79.2	134.1	175.8	-78.5	179.9	162.1	0	0	111.8	K139 E145	K139-E143 WeakPolarHBondContact CE-OE1 3.44Å; K139-E143 HydrophobicContact CG-CG 4.28Å; K139-E143 IonicContact NZ-OE1 2.84Å; K139-E143 WeakPolarHBondContact O-CB 3.33Å; K139-E143 WeakPolarHBondContact O-CG 3.46Å; K139-E143 PolarHBondContact O-N 2.79Å; E143-E145 PolarHBondContact O-N 2.9Å
144	N	82.7	Confident	85.3	Confident	87 Å²	87	82.7 Å²	82.7	47%	0.465	45%	0.448	S	S	.	.			trans	-63.3	133.8	168.2	-66.4	-12.9	0	0	0	109.4	L503 K504 A505	N144-L503 VanDerWaalsContact CA-O 3.26Å; N144-L503 WeakPolarHBondContact CA-O 3.35Å; N144-K504 WeakPolarHBondContact OD1-CA 3.49Å; N144-A505 PolarHBondContact OD1-N 3.42Å
145	E	81.1	Confident	85.7	Confident	101 Å²	101	81.9 Å²	81.9	47%	0.472	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116.8	-179.5	-178.5	174.9	178.4	0	0	109.1	E143 T147 H502 L503 K524	E143-E145 PolarHBondContact O-N 2.9Å; E145-T147 PolarHBondContact O-N 3.45Å; E145-H502 CarbonylContact O-C 3.59Å; E145-H502 WeakPolarHBondContact O-CA 3.45Å; E145-H502 WeakPolarHBondContact O-CB 3.38Å; E145-L503 HydrophobicContact CB-CB 4.22Å; E145-L503 PolarHBondContact N-O 2.92Å; E145-L503 PolarHBondContact O-N 3.03Å; E145-K524 IonicContact OE2-NZ 2.6Å; E145-K524 PolarHBondContact OE2-NZ 3.34Å; E145-K524 VanDerWaalsContact OE2-NZ 3.17Å
146	V	80.3	Confident	86.1	Confident	86 Å²	86	80.3 Å²	80.3	52%	0.521	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	109.9	175.6	-178.3	0	0	0	0	108	E501 H502	V146-E501 CarbonylContact C-O 3.39Å; V146-H502 HydrophobicContact CG2-CB 4.46Å
147	T	82.5	Confident	86.5	Confident	61 Å²	61	79.3 Å²	79.3	37%	0.374	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-22.6	-176.7	50	0	0	0	0	112.8	E145 E501 L503	E145-T147 PolarHBondContact O-N 3.45Å; T147-E501 PolarHBondContact N-O 3.44Å; T147-E501 PolarHBondContact OG1-O 3.27Å; T147-L503 HydrophobicContact CG2-CD1 3.74Å; T147-L503 HydrophobicContact CG2-CG 3.65Å
148	G	85.3	Confident	87.1	Confident	23 Å²	23	77.1 Å²	77.1	24%	0.237	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	-174.2	-175.2	0	0	0	0	0	113.9	E501	G148-E501 PolarHBondContact N-O 3.02Å; G148-E501 PolarHBondContact O-N 3.41Å
149	G	87.5	Confident	87.8	Confident	57 Å²	57	75.2 Å²	75.2	59%	0.588	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	82.8	-175.2	-179.6	0	0	0	0	0	114.3	E499	G149-E499 CarbonylContact C-O 3.56Å; G149-E499 VanDerWaalsContact CA-O 3.3Å; G149-E499 WeakPolarHBondContact CA-O 3.36Å
150	R	91.2	Very high	88.5	Confident	81 Å²	81	70.5 Å²	70.5	31%	0.306	38%	0.381	S	S	.	.			trans	-83.8	149.5	-179.5	-173.5	179.6	-76.2	157.8	-4.1	109.3	E496 I497 E499 L531	R150-E496 PolarHBondContact NH1-O 3.1Å; R150-I497 VanDerWaalsContact CD-O 3.3Å; R150-I497 WeakPolarHBondContact CD-O 3.38Å; R150-I497 PolarHBondContact NH1-O 3.24Å; R150-E499 PolarHBondContact N-O 3.1Å; R150-L531 HydrophobicContact CB-CD1 3.8Å; R150-L531 HydrophobicContact CG-CD1 3.85Å; R150-L531 WeakPolarHBondContact O-CD2 3.47Å
151	Q	93.4	Very high	89.2	Confident	121 Å²	121	73.3 Å²	73.3	57%	0.565	39%	0.387	S	S	*	.			trans	-99.6	157.4	175.3	-65.2	179	3.2	0	0	110.7	P554 A555	Q151-P554 HydrophobicContact CB-CB 4Å; Q151-P554 HydrophobicContact CB-CG 4.12Å; Q151-P554 CarbonylContact O-C 3.51Å; Q151-P554 WeakPolarHBondContact O-CA 3.45Å; Q151-P554 WeakPolarHBondContact O-CB 3.45Å; Q151-A555 PolarHBondContact O-N 3.11Å
152	L	94.5	Very high	90.2	Very high	60 Å²	60	70.9 Å²	70.9	31%	0.314	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.3	173.5	177.7	67.9	0	0	0	109.1	L531 V532 Y546 A555	L152-L531 HydrophobicContact CB-CB 4.33Å; L152-L531 HydrophobicContact CB-CD1 4.48Å; L152-L531 HydrophobicContact CB-CD2 3.89Å; L152-L531 HydrophobicContact CB-CG 4.48Å; L152-V532 HydrophobicContact CD2-CG1 3.66Å; L152-Y546 HydrophobicContact CD1-CD1 3.73Å; L152-Y546 HydrophobicContact CD1-CE1 3.85Å; L152-Y546 HydrophobicContact CD2-CE1 4.22Å; L152-A555 WeakPolarHBondContact CA-O 3.33Å; L152-A555 HydrophobicContact CD1-CB 4.01Å
153	T	95.1	Very high	91.1	Very high	27 Å²	27	68 Å²	68	17%	0.166	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142.3	171.8	-177.1	0	0	0	0	111.4	N155 V159 P554 A555 V556 K557	T153-N155 VanDerWaalsContact C-N 3.32Å; T153-N155 PolarHBondContact OG1-N 3.03Å; T153-N155 VanDerWaalsContact OG1-N 3.11Å; T153-V159 HydrophobicContact CG2-CG2 3.77Å; T153-P554 HydrophobicContact CG2-CB 4.06Å; T153-A555 PolarHBondContact N-O 3.48Å; T153-V556 HydrophobicContact CG2-CG1 4.49Å; T153-V556 HydrophobicContact CG2-CG2 4.01Å; T153-V556 VanDerWaalsContact O-CA 3.29Å; T153-V556 WeakPolarHBondContact O-CA 3.43Å; T153-K557 PolarHBondContact O-N 3.5Å
154	D	94.5	Very high	91.7	Very high	112 Å²	112	70.6 Å²	70.6	60%	0.599	37%	0.366	S	S	*	.	S	Bend	trans	-88.2	-6	171.7	-65.8	-23.7	0	0	0	112	P156 K557	D154-P156 WeakPolarHBondContact O-CD 3.34Å; D154-K557 WeakPolarHBondContact OD1-CB 3.32Å; D154-K557 WeakPolarHBondContact OD1-CD 3.32Å
155	N	95.2	Very high	92.4	Very high	60 Å²	60	75.2 Å²	75.2	32%	0.321	38%	0.382	S	S	.	.			trans	-108.3	100.8	-177.8	-179.9	16.8	0	0	0	111.3	T153 K157 D158	T153-N155 VanDerWaalsContact C-N 3.32Å; T153-N155 PolarHBondContact OG1-N 3.03Å; T153-N155 VanDerWaalsContact OG1-N 3.11Å; N155-K157 PolarHBondContact O-N 3.37Å; N155-K157 WeakPolarHBondContact OD1-CB 3.44Å; N155-K157 PolarHBondContact OD1-N 3.29Å; N155-D158 WeakPolarHBondContact CB-OD2 3.4Å; N155-D158 PolarHBondContact ND2-OD1 3.33Å; N155-D158 PolarHBondContact ND2-OD2 2.99Å; N155-D158 PolarHBondContact O-N 2.88Å; N155-D158 VanDerWaalsContact O-N 3.12Å
156	P	94.7	Very high	93	Very high	15 Å²	15	74.3 Å²	74.3	10%	0.097	38%	0.381	C	S	.	.	H	α-helix	trans	-59.3	-23.1	179.1	19	-30.6	0	0	0	114.4	D154 D158 V159 A160 D176 L177 V556 L558	D154-P156 WeakPolarHBondContact O-CD 3.34Å; P156-D158 PolarHBondContact O-N 3.09Å; P156-V159 PolarHBondContact O-N 3.16Å; P156-A160 WeakPolarHBondContact O-CB 3.48Å; P156-A160 PolarHBondContact O-N 3.04Å; P156-D176 HydrophobicContact CB-CB 4.09Å; P156-D176 HydrophobicContact CG-CB 3.66Å; P156-L177 HydrophobicContact CB-CB 3.98Å; P156-V556 HydrophobicContact CB-CG1 4.03Å; P156-L558 HydrophobicContact CB-CD2 3.7Å; P156-L558 HydrophobicContact CG-CD2 3.87Å
157	K	95.1	Very high	93.7	Very high	120 Å²	120	72.3 Å²	72.3	52%	0.522	38%	0.378	S	S	.	.	H	α-helix	trans	-66.7	-26.6	-179.6	-61.1	179.9	179.9	173.2	0	112.3	N155 A160 R161	N155-K157 PolarHBondContact O-N 3.37Å; N155-K157 WeakPolarHBondContact OD1-CB 3.44Å; N155-K157 PolarHBondContact OD1-N 3.29Å; K157-A160 PolarHBondContact O-N 3.34Å; K157-R161 VanDerWaalsContact O-CG 3.28Å; K157-R161 WeakPolarHBondContact O-CG 2.94Å; K157-R161 PolarHBondContact O-N 3.24Å
158	D	95	Very high	94.4	Very high	60 Å²	60	75.9 Å²	75.9	32%	0.321	38%	0.384	S	S	.	.	H	α-helix	trans	-70.3	-45.5	180	-63.9	-29.8	0	0	0	110.4	N155 P156 R161 M162	N155-D158 WeakPolarHBondContact CB-OD2 3.4Å; N155-D158 PolarHBondContact ND2-OD1 3.33Å; N155-D158 PolarHBondContact ND2-OD2 2.99Å; N155-D158 PolarHBondContact O-N 2.88Å; N155-D158 VanDerWaalsContact O-N 3.12Å; P156-D158 PolarHBondContact O-N 3.09Å; D158-R161 PolarHBondContact O-N 2.81Å; D158-R161 IonicContact OD1-NH1 3.09Å; D158-R161 PolarHBondContact OD1-NH1 2.69Å; D158-M162 WeakPolarHBondContact O-CG 3.45Å; D158-M162 PolarHBondContact O-N 3.24Å; D158-M162 VanDerWaalsContact O-N 3.1Å
159	V	96.2	Very high	94.8	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-66.3	-38.9	172.6	-176.4	0	0	0	0	111.4	T153 P156 R161 M162 L163 L177 L549 Y553 P554 V556	T153-V159 HydrophobicContact CG2-CG2 3.77Å; P156-V159 PolarHBondContact O-N 3.16Å; V159-R161 VanDerWaalsContact C-N 3.29Å; V159-R161 PolarHBondContact O-N 2.85Å; V159-M162 WeakPolarHBondContact O-CB 3.31Å; V159-M162 PolarHBondContact O-N 3.04Å; V159-M162 VanDerWaalsContact O-N 3.11Å; V159-L163 HydrophobicContact CG1-CD1 4.09Å; V159-L163 HydrophobicContact CG1-CG 4.37Å; V159-L163 WeakPolarHBondContact O-CG 3.24Å; V159-L163 PolarHBondContact O-N 2.81Å; V159-L177 HydrophobicContact CB-CD1 3.8Å; V159-L177 HydrophobicContact CG1-CD1 3.79Å; V159-L549 HydrophobicContact CG1-CD1 4.23Å; V159-Y553 HydrophobicContact CG1-CD1 4.27Å; V159-Y553 HydrophobicContact CG1-CG 4.39Å; V159-P554 HydrophobicContact CG2-CB 4.06Å; V159-P554 HydrophobicContact CG2-CG 4.11Å; V159-V556 HydrophobicContact CB-CG2 4.12Å; V159-V556 HydrophobicContact CG2-CG2 3.45Å; V159-V556 VanDerWaalsContact CG2-CG2 3.45Å
160	A	96.1	Very high	95.2	Very high	23 Å²	23	74.7 Å²	74.7	19%	0.19	36%	0.359	C	S	.	.	H	α-helix	trans	-59.3	-38.5	174.9	0	0	0	0	0	112.6	P156 K157 K164 P178	P156-A160 WeakPolarHBondContact O-CB 3.48Å; P156-A160 PolarHBondContact O-N 3.04Å; K157-A160 PolarHBondContact O-N 3.34Å; A160-K164 WeakPolarHBondContact O-CB 3.28Å; A160-K164 PolarHBondContact O-N 3.11Å; A160-P178 HydrophobicContact CB-CG 3.77Å
161	R	96.5	Very high	95.3	Very high	166 Å²	166	75.3 Å²	75.3	63%	0.626	37%	0.369	S	S	*	.	H	α-helix	trans	-67.2	-39.7	174	-72.9	173	-163.1	161.7	4	111.9	K157 D158 V159 K164 K165	K157-R161 VanDerWaalsContact O-CG 3.28Å; K157-R161 WeakPolarHBondContact O-CG 2.94Å; K157-R161 PolarHBondContact O-N 3.24Å; D158-R161 PolarHBondContact O-N 2.81Å; D158-R161 IonicContact OD1-NH1 3.09Å; D158-R161 PolarHBondContact OD1-NH1 2.69Å; V159-R161 VanDerWaalsContact C-N 3.29Å; V159-R161 PolarHBondContact O-N 2.85Å; R161-K164 PolarHBondContact O-N 2.98Å; R161-K165 WeakPolarHBondContact O-CB 3.45Å; R161-K165 PolarHBondContact O-N 3.32Å
162	M	96.3	Very high	95.4	Very high	71 Å²	71	69.6 Å²	69.6	35%	0.35	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-50.4	174.7	-67.4	175.2	68.2	0	0	110.8	D158 V159 K164 K165 D166 Y553 P554	D158-M162 WeakPolarHBondContact O-CG 3.45Å; D158-M162 PolarHBondContact O-N 3.24Å; D158-M162 VanDerWaalsContact O-N 3.1Å; V159-M162 WeakPolarHBondContact O-CB 3.31Å; V159-M162 PolarHBondContact O-N 3.04Å; V159-M162 VanDerWaalsContact O-N 3.11Å; M162-K164 VanDerWaalsContact C-N 3.32Å; M162-K164 PolarHBondContact O-N 3.12Å; M162-K165 WeakPolarHBondContact O-CB 3.21Å; M162-K165 PolarHBondContact O-N 2.94Å; M162-K165 VanDerWaalsContact O-N 3.12Å; M162-D166 PolarHBondContact O-N 2.97Å; M162-Y553 HydrophobicContact CB-CD1 4.14Å; M162-Y553 HydrophobicContact CB-CE1 4.12Å; M162-Y553 HydrophobicContact CE-CD1 4.18Å; M162-P554 HydrophobicContact SD-CG 4.16Å
163	L	96.8	Very high	95.4	Very high	0 Å²	0	72 Å²	72	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-58.1	-43.5	177.9	-72.6	167.7	0	0	0	112.3	V159 D166 G167 R168 D169 P178 I180 L549 Y553	V159-L163 HydrophobicContact CG1-CD1 4.09Å; V159-L163 HydrophobicContact CG1-CG 4.37Å; V159-L163 WeakPolarHBondContact O-CG 3.24Å; V159-L163 PolarHBondContact O-N 2.81Å; L163-D166 CarbonylContact O-C 3.49Å; L163-D166 PolarHBondContact O-N 3.35Å; L163-G167 PolarHBondContact O-N 3.2Å; L163-G167 VanDerWaalsContact O-N 3.08Å; L163-R168 HydrophobicContact CD2-CB 4.27Å; L163-R168 PolarHBondContact O-N 3.06Å; L163-D169 HydrophobicContact CB-CB 4.19Å; L163-D169 PolarHBondContact O-N 2.82Å; L163-P178 HydrophobicContact CD1-CG 3.92Å; L163-P178 VanDerWaalsContact CD1-O 3.22Å; L163-P178 WeakPolarHBondContact CD1-O 3.23Å; L163-I180 HydrophobicContact CD2-CG1 3.5Å; L163-I180 VanDerWaalsContact CD2-CG1 3.5Å; L163-L549 HydrophobicContact CD1-CD1 4.05Å; L163-Y553 HydrophobicContact CD2-CD1 4.09Å; L163-Y553 HydrophobicContact CD2-CD2 4.14Å; L163-Y553 HydrophobicContact CD2-CE1 3.63Å; L163-Y553 HydrophobicContact CD2-CE2 3.66Å; L163-Y553 HydrophobicContact CD2-CG 4.34Å; L163-Y553 VanDerWaalsContact CD2-CZ 3.41Å; L163-Y553 HydrophobicContact CG-CD1 4.25Å; L163-Y553 HydrophobicContact CG-CE1 4.02Å
164	K	95.8	Very high	95.3	Very high	151 Å²	151	70.9 Å²	70.9	66%	0.657	34%	0.34	S	S	*	.	H	α-helix	trans	-65.5	-39.5	176.8	-173	174.4	-176.4	177	0	112.4	A160 R161 M162 D166 G167	A160-K164 WeakPolarHBondContact O-CB 3.28Å; A160-K164 PolarHBondContact O-N 3.11Å; R161-K164 PolarHBondContact O-N 2.98Å; M162-K164 VanDerWaalsContact C-N 3.32Å; M162-K164 PolarHBondContact O-N 3.12Å; K164-D166 VanDerWaalsContact C-N 3.27Å; K164-D166 PolarHBondContact O-N 3.02Å; K164-G167 PolarHBondContact O-N 3.14Å
165	K	96.5	Very high	95.1	Very high	185 Å²	185	66.9 Å²	66.9	80%	0.804	33%	0.325	S	S	*	.	H	α-helix	trans	-62.5	-37.3	175.6	-175.7	-175	175.7	-171.2	0	111.3	R161 M162 G167	R161-K165 WeakPolarHBondContact O-CB 3.45Å; R161-K165 PolarHBondContact O-N 3.32Å; M162-K165 WeakPolarHBondContact O-CB 3.21Å; M162-K165 PolarHBondContact O-N 2.94Å; M162-K165 VanDerWaalsContact O-N 3.12Å; K165-G167 VanDerWaalsContact C-N 3.29Å; K165-G167 PolarHBondContact O-N 3.06Å
166	D	95.6	Very high	94.9	Very high	82 Å²	82	68.9 Å²	68.9	44%	0.439	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-5.1	178.1	-61.5	-15.6	0	0	0	113.3	M162 L163 K164 R168 Y553	M162-D166 PolarHBondContact O-N 2.97Å; L163-D166 CarbonylContact O-C 3.49Å; L163-D166 PolarHBondContact O-N 3.35Å; K164-D166 VanDerWaalsContact C-N 3.27Å; K164-D166 PolarHBondContact O-N 3.02Å; D166-R168 VanDerWaalsContact C-N 3.26Å; D166-R168 HydrophobicContact CB-CB 4.44Å; D166-R168 HydrophobicContact CB-CG 4.18Å; D166-R168 PolarHBondContact O-N 3.03Å; D166-Y553 WeakPolarHBondContact OD2-CE1 3.32Å; D166-Y553 PolarHBondContact OD2-OH 2.87Å
167	G	95.2	Very high	95	Very high	44 Å²	44	68.2 Å²	68.2	45%	0.454	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	25.5	-175.2	0	0	0	0	0	114	L163 K164 K165	L163-G167 PolarHBondContact O-N 3.2Å; L163-G167 VanDerWaalsContact O-N 3.08Å; K164-G167 PolarHBondContact O-N 3.14Å; K165-G167 VanDerWaalsContact C-N 3.29Å; K165-G167 PolarHBondContact O-N 3.06Å
168	R	96	Very high	95.1	Very high	135 Å²	135	62.7 Å²	62.7	51%	0.509	31%	0.308	S	S	.	.			trans	-113.5	12.6	-174.9	-66	-167.3	-176.3	-168.5	2.1	113.6	L163 D166 I180 R181	L163-R168 HydrophobicContact CD2-CB 4.27Å; L163-R168 PolarHBondContact O-N 3.06Å; D166-R168 VanDerWaalsContact C-N 3.26Å; D166-R168 HydrophobicContact CB-CB 4.44Å; D166-R168 HydrophobicContact CB-CG 4.18Å; D166-R168 PolarHBondContact O-N 3.03Å; R168-I180 HydrophobicContact CB-CG2 4.44Å; R168-I180 CarbonylContact O-C 3.55Å; R168-I180 WeakPolarHBondContact O-CA 3.42Å; R168-R181 PolarHBondContact O-N 2.71Å
169	D	94.9	Very high	95.1	Very high	51 Å²	51	59.8 Å²	59.8	27%	0.273	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	129.5	176.2	61.3	-51.4	0	0	0	111.9	L163	L163-D169 HydrophobicContact CB-CB 4.19Å; L163-D169 PolarHBondContact O-N 2.82Å
170	S	95.2	Very high	95.2	Very high	5 Å²	5	60.5 Å²	60.5	4%	0.035	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	156.6	169.8	-171.2	0	0	0	0	111.2	I172 I179 E184	S170-I172 VanDerWaalsContact C-N 3.29Å; S170-I172 PolarHBondContact OG-N 3Å; S170-I179 WeakPolarHBondContact CB-O 3.36Å; S170-I179 PolarHBondContact N-O 2.98Å; S170-E184 PolarHBondContact OG-OE1 2.76Å
171	D	93.3	Very high	95.1	Very high	94 Å²	94	66.4 Å²	66.4	50%	0.503	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-22	166.4	56.9	-55.9	0	0	0	112.5	Y208 R212	D171-Y208 VanDerWaalsContact O-CE1 3.26Å; D171-Y208 WeakPolarHBondContact O-CE1 3.49Å; D171-R212 IonicContact OD1-CZ 3.81Å; D171-R212 IonicContact OD1-NH2 3.75Å; D171-R212 PolarHBondContact OD1-NH2 3.17Å; D171-R212 IonicContact OD2-CZ 3.25Å; D171-R212 VanDerWaalsContact OD2-CZ 3.24Å; D171-R212 IonicContact OD2-NE 3.77Å; D171-R212 PolarHBondContact OD2-NE 2.92Å; D171-R212 IonicContact OD2-NH2 3.56Å; D171-R212 PolarHBondContact OD2-NH2 3.17Å
172	I	95.5	Very high	95	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	131.1	171.9	-66.4	179.6	0	0	0	110.3	S170 P178 I179 E184 L205 Y208 W421	S170-I172 VanDerWaalsContact C-N 3.29Å; S170-I172 PolarHBondContact OG-N 3Å; I172-P178 WeakPolarHBondContact O-CA 3.06Å; I172-I179 HydrophobicContact CB-CD1 3.77Å; I172-I179 HydrophobicContact CB-CG1 3.96Å; I172-I179 HydrophobicContact CD1-CD1 4.36Å; I172-I179 HydrophobicContact CG2-CD1 3.73Å; I172-I179 HydrophobicContact CG2-CG1 4.11Å; I172-I179 PolarHBondContact O-N 2.62Å; I172-I179 VanDerWaalsContact O-N 3.07Å; I172-E184 HydrophobicContact CD1-CG 3.67Å; I172-E184 WeakPolarHBondContact CD1-OE1 3.34Å; I172-L205 HydrophobicContact CG2-CD2 3.5Å; I172-L205 VanDerWaalsContact CG2-CD2 3.5Å; I172-Y208 HydrophobicContact CB-CD2 4.46Å; I172-Y208 HydrophobicContact CG1-CD1 4.18Å; I172-Y208 HydrophobicContact CG1-CD2 4.29Å; I172-Y208 HydrophobicContact CG1-CG 3.9Å; I172-Y208 HydrophobicContact CG2-CD2 4.09Å; I172-Y208 HydrophobicContact CG2-CE2 4.35Å; I172-W421 HydrophobicContact CD1-CH2 3.86Å; I172-W421 HydrophobicContact CD1-CZ2 3.75Å
173	R	94.9	Very high	95	Very high	112 Å²	112	58.8 Å²	58.8	42%	0.423	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.9	178.4	-51.5	-172	177.1	-163	-1.8	112.7	G175 L177 P178 Y208	R173-G175 WeakPolarHBondContact CB-O 3.44Å; R173-L177 CarbonylContact C-O 3.58Å; R173-L177 VanDerWaalsContact CA-O 3.24Å; R173-L177 WeakPolarHBondContact CA-O 3.44Å; R173-P178 HydrophobicContact CG-CB 4.24Å; R173-Y208 PolarHBondContact N-OH 3.32Å
174	I	92.9	Very high	94.9	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	89.3	166.5	-55.9	177.2	0	0	0	107	D176 L177 I179 V201 L558 L560	I174-D176 PolarHBondContact O-N 3.45Å; I174-L177 PolarHBondContact N-O 2.95Å; I174-L177 PolarHBondContact O-N 3.05Å; I174-I179 HydrophobicContact CD1-CG2 4.19Å; I174-I179 HydrophobicContact CG1-CG2 4.22Å; I174-V201 HydrophobicContact CD1-CG1 4.29Å; I174-V201 HydrophobicContact CG1-CG1 4.48Å; I174-V201 HydrophobicContact CG2-CG1 4.39Å; I174-V201 HydrophobicContact CG2-CG2 4.24Å; I174-L558 HydrophobicContact CB-CD1 4.35Å; I174-L558 HydrophobicContact CG2-CD1 4.03Å; I174-L560 HydrophobicContact CG2-CD2 3.96Å
175	G	89.8	Confident	94.9	Very high	28 Å²	28	52 Å²	52	29%	0.289	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	-121.5	-170.1	0	0	0	0	0	110.4	R173 R204	R173-G175 WeakPolarHBondContact CB-O 3.44Å; G175-R204 VanDerWaalsContact N-NH1 3.12Å
176	D	91.1	Very high	94.8	Very high	102 Å²	102	45 Å²	45	55%	0.545	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-7.8	179.7	-69.7	-24.5	0	0	0	113.3	P156 I174 P178	P156-D176 HydrophobicContact CB-CB 4.09Å; P156-D176 HydrophobicContact CG-CB 3.66Å; I174-D176 PolarHBondContact O-N 3.45Å; D176-P178 WeakPolarHBondContact O-CD 3.37Å
177	L	96	Very high	94.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.8	-179.4	-178.9	65.4	0	0	0	110.9	P156 V159 R173 I174 V547 L549 V556 L558	P156-L177 HydrophobicContact CB-CB 3.98Å; V159-L177 HydrophobicContact CB-CD1 3.8Å; V159-L177 HydrophobicContact CG1-CD1 3.79Å; R173-L177 CarbonylContact C-O 3.58Å; R173-L177 VanDerWaalsContact CA-O 3.24Å; R173-L177 WeakPolarHBondContact CA-O 3.44Å; I174-L177 PolarHBondContact N-O 2.95Å; I174-L177 PolarHBondContact O-N 3.05Å; L177-V547 HydrophobicContact CD2-CB 4.13Å; L177-V547 HydrophobicContact CD2-CG1 3.9Å; L177-L549 HydrophobicContact CD1-CD1 4.3Å; L177-L549 HydrophobicContact CD2-CD1 4.29Å; L177-L549 HydrophobicContact CD2-CG 4.47Å; L177-L549 HydrophobicContact CG-CD1 4.42Å; L177-V556 HydrophobicContact CD1-CG2 4.09Å; L177-V556 HydrophobicContact CD2-CB 4.05Å; L177-V556 HydrophobicContact CD2-CG2 3.98Å; L177-L558 HydrophobicContact CB-CD1 3.92Å; L177-L558 HydrophobicContact CB-CD2 4.09Å; L177-L558 HydrophobicContact CD2-CD1 3.89Å
178	P	97	Very high	95	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	141.7	165.9	28.7	-31.5	0	0	0	110.5	A160 L163 I172 R173 D176	A160-P178 HydrophobicContact CB-CG 3.77Å; L163-P178 HydrophobicContact CD1-CG 3.92Å; L163-P178 VanDerWaalsContact CD1-O 3.22Å; L163-P178 WeakPolarHBondContact CD1-O 3.23Å; I172-P178 WeakPolarHBondContact O-CA 3.06Å; R173-P178 HydrophobicContact CG-CB 4.24Å; D176-P178 WeakPolarHBondContact O-CD 3.37Å
179	I	96.6	Very high	95	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	172	167.5	68.5	173.1	0	0	0	109.8	S170 I172 I174 E184 F188 L549	S170-I179 WeakPolarHBondContact CB-O 3.36Å; S170-I179 PolarHBondContact N-O 2.98Å; I172-I179 HydrophobicContact CB-CD1 3.77Å; I172-I179 HydrophobicContact CB-CG1 3.96Å; I172-I179 HydrophobicContact CD1-CD1 4.36Å; I172-I179 HydrophobicContact CG2-CD1 3.73Å; I172-I179 HydrophobicContact CG2-CG1 4.11Å; I172-I179 PolarHBondContact O-N 2.62Å; I172-I179 VanDerWaalsContact O-N 3.07Å; I174-I179 HydrophobicContact CD1-CG2 4.19Å; I174-I179 HydrophobicContact CG1-CG2 4.22Å; I179-E184 HydrophobicContact CD1-CG 3.68Å; I179-F188 HydrophobicContact CD1-CE1 4.29Å; I179-F188 HydrophobicContact CD1-CZ 3.85Å; I179-F188 HydrophobicContact CG2-CE1 4.33Å; I179-L549 HydrophobicContact CG2-CD2 4.48Å
180	I	97	Very high	95.2	Very high	15 Å²	15	30.5 Å²	30.5	8%	0.077	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	135.9	173.6	-68	157	0	0	0	109.1	L163 R168 D182 S183 L549 P550 Y553	L163-I180 HydrophobicContact CD2-CG1 3.5Å; L163-I180 VanDerWaalsContact CD2-CG1 3.5Å; R168-I180 HydrophobicContact CB-CG2 4.44Å; R168-I180 CarbonylContact O-C 3.55Å; R168-I180 WeakPolarHBondContact O-CA 3.42Å; I180-D182 PolarHBondContact O-N 3.5Å; I180-S183 PolarHBondContact N-OG 2.92Å; I180-S183 WeakPolarHBondContact O-CB 3.43Å; I180-S183 PolarHBondContact O-N 2.77Å; I180-S183 PolarHBondContact O-OG 3.3Å; I180-L549 HydrophobicContact CD1-CB 3.91Å; I180-P550 HydrophobicContact CD1-CG 3.73Å; I180-P550 WeakPolarHBondContact CD1-O 3.44Å; I180-Y553 HydrophobicContact CD1-CD2 3.7Å; I180-Y553 HydrophobicContact CD1-CE2 3.63Å; I180-Y553 HydrophobicContact CG1-CD2 4.22Å; I180-Y553 HydrophobicContact CG1-CE2 3.91Å
181	R	95.1	Very high	95.2	Very high	147 Å²	147	30.3 Å²	30.3	56%	0.555	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	131.9	175.1	178.1	177.5	-79.5	-176.1	-7.3	110.5	R168 S183	R168-R181 PolarHBondContact O-N 2.71Å; R181-S183 PolarHBondContact O-N 3.18Å; R181-S183 VanDerWaalsContact O-N 3.16Å
182	D	94	Very high	95.3	Very high	76 Å²	76	25.9 Å²	25.9	41%	0.406	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	19.6	-178.4	-52.7	-45.5	0	0	0	114.4	I180 E184 I185 R419	I180-D182 PolarHBondContact O-N 3.5Å; D182-E184 VanDerWaalsContact C-N 3.31Å; D182-E184 WeakPolarHBondContact CA-OE2 3.32Å; D182-E184 PolarHBondContact N-OE2 3.42Å; D182-I185 WeakPolarHBondContact O-CG1 3.49Å; D182-R419 IonicContact OD1-NH2 2.89Å; D182-R419 PolarHBondContact OD1-NH2 2.74Å
183	S	95.5	Very high	95.3	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	13%	0.133	C	C	.	.			trans	-83.3	-6.9	171.7	67.2	0	0	0	0	113	I180 R181 I185 Q186	I180-S183 PolarHBondContact N-OG 2.92Å; I180-S183 WeakPolarHBondContact O-CB 3.43Å; I180-S183 PolarHBondContact O-N 2.77Å; I180-S183 PolarHBondContact O-OG 3.3Å; R181-S183 PolarHBondContact O-N 3.18Å; R181-S183 VanDerWaalsContact O-N 3.16Å; S183-I185 PolarHBondContact O-N 2.85Å; S183-Q186 WeakPolarHBondContact O-CA 3.47Å; S183-Q186 VanDerWaalsContact O-CB 3.29Å; S183-Q186 WeakPolarHBondContact O-CB 3.42Å; S183-Q186 PolarHBondContact O-N 3.21Å
184	E	95.4	Very high	95.2	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.009	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-61	-37.2	177.9	-55.2	86.9	165.6	0	0	112	S170 I172 I179 D182 Q186 N187 F188 R212 R419 W421 C449	S170-E184 PolarHBondContact OG-OE1 2.76Å; I172-E184 HydrophobicContact CD1-CG 3.67Å; I172-E184 WeakPolarHBondContact CD1-OE1 3.34Å; I179-E184 HydrophobicContact CD1-CG 3.68Å; D182-E184 VanDerWaalsContact C-N 3.31Å; D182-E184 WeakPolarHBondContact CA-OE2 3.32Å; D182-E184 PolarHBondContact N-OE2 3.42Å; E184-Q186 PolarHBondContact O-N 3.22Å; E184-N187 PolarHBondContact O-N 2.9Å; E184-N187 VanDerWaalsContact O-N 3.16Å; E184-F188 HydrophobicContact CB-CE2 4.18Å; E184-F188 HydrophobicContact CB-CZ 4.43Å; E184-F188 HydrophobicContact CG-CZ 4.36Å; E184-R212 IonicContact OE1-NH1 3.49Å; E184-R212 IonicContact OE1-NH2 3.59Å; E184-R419 IonicContact OE2-NE 3.34Å; E184-W421 HydrophobicContact CB-CH2 3.68Å; E184-W421 HydrophobicContact CB-CZ2 4.01Å; E184-W421 HydrophobicContact CB-CZ3 4.42Å; E184-W421 HydrophobicContact CG-CH2 3.56Å; E184-W421 HydrophobicContact CG-CZ2 3.83Å; E184-C449 HydrophobicContact CB-CB 4.36Å; E184-C449 WeakPolarHBondContact O-CB 3.33Å
185	I	95.1	Very high	95.1	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.026	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-75.5	5.2	174.9	62.6	175	0	0	0	113.1	D182 S183 R444 G448	D182-I185 WeakPolarHBondContact O-CG1 3.49Å; S183-I185 PolarHBondContact O-N 2.85Å; I185-R444 HydrophobicContact CB-CG 3.94Å; I185-R444 HydrophobicContact CD1-CG 3.6Å; I185-R444 HydrophobicContact CG1-CG 3.75Å; I185-R444 WeakPolarHBondContact O-CB 3.45Å; I185-R444 WeakPolarHBondContact O-CG 3.34Å; I185-G448 WeakPolarHBondContact CA-O 3.14Å
186	Q	95.1	Very high	95.3	Very high	38 Å²	38	28.1 Å²	28.1	18%	0.178	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-108.4	14.1	170.4	-55	-174.4	-10.3	0	0	112.3	S183 E184 V475 N477	S183-Q186 WeakPolarHBondContact O-CA 3.47Å; S183-Q186 VanDerWaalsContact O-CB 3.29Å; S183-Q186 WeakPolarHBondContact O-CB 3.42Å; S183-Q186 PolarHBondContact O-N 3.21Å; E184-Q186 PolarHBondContact O-N 3.22Å; Q186-V475 VanDerWaalsContact O-O 3.1Å; Q186-N477 HydrophobicContact CB-CB 3.92Å; Q186-N477 WeakPolarHBondContact O-CB 3.49Å; Q186-N477 PolarHBondContact O-N 3.33Å; Q186-N477 PolarHBondContact OE1-ND2 3.11Å
187	N	97	Very high	95.5	Very high	6 Å²	6	23.7 Å²	23.7	3%	0.032	14%	0.137	C	C	.	.			trans	63	163.8	168.9	-44.7	-51.5	0	0	0	115.6	E184 Y450 V475 M476 T478	E184-N187 PolarHBondContact O-N 2.9Å; E184-N187 VanDerWaalsContact O-N 3.16Å; N187-Y450 CarbonylContact C-O 3.58Å; N187-Y450 VanDerWaalsContact CA-O 3.3Å; N187-Y450 WeakPolarHBondContact CA-O 3.41Å; N187-Y450 WeakPolarHBondContact OD1-CB 3.42Å; N187-Y450 WeakPolarHBondContact OD1-CD2 3.26Å; N187-Y450 PolarHBondContact OD1-N 3.22Å; N187-Y450 VanDerWaalsContact OD1-N 3.09Å; N187-V475 PolarHBondContact ND2-O 2.64Å; N187-M476 HydrophobicContact CB-CG 4.31Å; N187-T478 PolarHBondContact O-N 2.88Å
188	F	97.5	Very high	95.4	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.6	-175.5	-58	-103.2	0	0	0	111.5	I179 E184 L205 W421 Y450 V451 F452 T478	I179-F188 HydrophobicContact CD1-CE1 4.29Å; I179-F188 HydrophobicContact CD1-CZ 3.85Å; I179-F188 HydrophobicContact CG2-CE1 4.33Å; E184-F188 HydrophobicContact CB-CE2 4.18Å; E184-F188 HydrophobicContact CB-CZ 4.43Å; E184-F188 HydrophobicContact CG-CZ 4.36Å; F188-L205 HydrophobicContact CD1-CD1 4.25Å; F188-L205 HydrophobicContact CE1-CD1 4.37Å; F188-L205 HydrophobicContact CG-CD1 4.38Å; F188-W421 HydrophobicContact CD2-CZ3 4.33Å; F188-W421 HydrophobicContact CE2-CH2 4.06Å; F188-W421 AromaticContact CE2-CZ3 3.72Å; F188-W421 HydrophobicContact CE2-CZ3 3.72Å; F188-W421 HydrophobicContact CZ-CH2 4.42Å; F188-W421 HydrophobicContact CZ-CZ3 4.42Å; F188-Y450 PolarHBondContact N-O 2.74Å; F188-V451 HydrophobicContact CB-CB 4.3Å; F188-V451 HydrophobicContact CB-CG1 4.09Å; F188-V451 HydrophobicContact CB-CG2 4.05Å; F188-V451 HydrophobicContact CD2-CG2 3.67Å; F188-V451 HydrophobicContact CE2-CG2 4.43Å; F188-V451 HydrophobicContact CG-CG2 4.1Å; F188-F452 PolarHBondContact O-N 2.93Å; F188-T478 CarbonylContact C-O 3.6Å; F188-T478 WeakPolarHBondContact CA-O 3.42Å; F188-T478 HydrophobicContact CD1-CG2 3.52Å; F188-T478 HydrophobicContact CE1-CG2 3.71Å
189	C	97.1	Very high	95.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.1	169.1	-172.8	0	0	0	0	109.9	M476 T478 R479 A480	C189-M476 HydrophobicContact CB-CB 3.78Å; C189-M476 HydrophobicContact CB-CE 3.85Å; C189-M476 HydrophobicContact CB-CG 4.26Å; C189-M476 HydrophobicContact CB-SD 3.49Å; C189-M476 WeakPolarHBondContact CB-SD 3.33Å; C189-T478 PolarHBondContact N-O 3.13Å; C189-R479 HydrophobicContact CB-CB 4.36Å; C189-R479 HydrophobicContact CB-CG 4.06Å; C189-R479 CarbonylContact O-C 3.49Å; C189-R479 WeakPolarHBondContact O-CA 3.3Å; C189-A480 PolarHBondContact O-N 3.47Å
190	L	97.4	Very high	95.2	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	106.3	172.3	-50.5	178.1	0	0	0	107.7	K198 V201 I202 V451 F452 G453 I454 A480 F482	L190-K198 HydrophobicContact CB-CB 4.23Å; L190-K198 HydrophobicContact CB-CD 4.37Å; L190-K198 HydrophobicContact CB-CG 4.29Å; L190-K198 HydrophobicContact CD1-CB 4.5Å; L190-K198 WeakPolarHBondContact CD1-O 3.29Å; L190-K198 WeakPolarHBondContact O-CD 3.16Å; L190-V201 HydrophobicContact CD1-CB 4.02Å; L190-V201 HydrophobicContact CD1-CG1 4.17Å; L190-V201 HydrophobicContact CD2-CB 4.14Å; L190-V201 HydrophobicContact CD2-CG1 3.75Å; L190-I202 HydrophobicContact CD1-CD1 4.09Å; L190-I202 HydrophobicContact CD1-CG1 3.43Å; L190-I202 VanDerWaalsContact CD1-CG1 3.43Å; L190-V451 HydrophobicContact CD1-CG1 4.03Å; L190-V451 HydrophobicContact CG-CG1 4.38Å; L190-F452 PolarHBondContact N-O 2.98Å; L190-G453 WeakPolarHBondContact O-CA 3.21Å; L190-I454 PolarHBondContact O-N 2.83Å; L190-A480 HydrophobicContact CD2-CB 3.72Å; L190-F482 HydrophobicContact CB-CE2 4.47Å
191	H	96.7	Very high	95.2	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.7	-172.3	-179	-82.5	0	0	0	111.1	I454 A480 F481 F482 I489	H191-I454 WeakPolarHBondContact CA-O 3.22Å; H191-I454 HydrophobicContact CB-CG1 4.33Å; H191-A480 PolarHBondContact N-O 3.16Å; H191-F481 HydrophobicContact CB-CD1 3.89Å; H191-F481 HydrophobicContact CB-CE1 4.15Å; H191-F481 AromaticContact ND1-CD1 3.99Å; H191-F482 PolarHBondContact O-N 3.29Å; H191-I489 WeakPolarHBondContact CE1-CG2 3.35Å
192	G	95.4	Very high	95.2	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	149.3	177.6	170.4	0	0	0	0	0	113.3	K198 I454 Q455	G192-K198 PolarHBondContact O-NZ 3.49Å; G192-I454 PolarHBondContact N-O 3.17Å; G192-I454 VanDerWaalsContact N-O 3.11Å; G192-Q455 WeakPolarHBondContact O-CA 3.39Å
193	T	94.6	Very high	95.3	Very high	31 Å²	31	16 Å²	16	19%	0.19	11%	0.106	C	C	.	.			trans	-65.9	170.5	-171	-163.9	0	0	0	0	114.2	A196 K198 R483	T193-A196 HydrophobicContact CG2-CB 4.12Å; T193-A196 WeakPolarHBondContact O-CB 3.44Å; T193-K198 PolarHBondContact O-NZ 3Å; T193-R483 WeakPolarHBondContact CG2-O 3.32Å; T193-R483 PolarHBondContact N-O 3.49Å
194	V	92.3	Very high	95.3	Very high	88 Å²	88	17 Å²	17	53%	0.533	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	144.6	173	-67.7	0	0	0	0	111.2	A196	V194-A196 PolarHBondContact O-N 3.32Å; V194-A196 VanDerWaalsContact O-N 3.08Å
195	G	91.5	Very high	95.3	Very high	70 Å²	70	16.9 Å²	16.9	72%	0.722	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.7	-9.3	178.9	0	0	0	0	0	115.8	G197	G195-G197 PolarHBondContact O-N 2.89Å; G195-G197 VanDerWaalsContact O-N 3.16Å
196	A	94.3	Very high	95.4	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.008	11%	0.108	C	C	.	.	S	Bend	trans	-68.7	-16.4	-174.7	0	0	0	0	0	114.7	T193 V194 F482 R483 L543	T193-A196 HydrophobicContact CG2-CB 4.12Å; T193-A196 WeakPolarHBondContact O-CB 3.44Å; V194-A196 PolarHBondContact O-N 3.32Å; V194-A196 VanDerWaalsContact O-N 3.08Å; A196-F482 HydrophobicContact CB-CB 3.75Å; A196-F482 HydrophobicContact CB-CD1 4.27Å; A196-F482 HydrophobicContact CB-CG 4.31Å; A196-F482 WeakPolarHBondContact O-CD1 3.48Å; A196-R483 HydrophobicContact CB-CB 4.42Å; A196-L543 WeakPolarHBondContact O-CA 3.47Å; A196-L543 PolarHBondContact O-N 3.25Å
197	G	94	Very high	95.4	Very high	9 Å²	9	17 Å²	17	9%	0.093	11%	0.112	C	C	.	.	S	Bend	trans	122.4	4.8	175.2	0	0	0	0	0	116.4	G195 S199 E200	G195-G197 PolarHBondContact O-N 2.89Å; G195-G197 VanDerWaalsContact O-N 3.16Å; G197-S199 PolarHBondContact O-N 3.36Å; G197-E200 WeakPolarHBondContact O-CB 3.36Å; G197-E200 PolarHBondContact O-N 3.38Å
198	K	95.3	Very high	95.3	Very high	10 Å²	10	19.3 Å²	19.3	4%	0.043	12%	0.12	C	C	.	.	H	α-helix	trans	-49	-53.2	178.9	-58.5	-169.5	-62.1	-90.6	0	112.5	L190 G192 T193 E200 V201 I202 F482	L190-K198 HydrophobicContact CB-CB 4.23Å; L190-K198 HydrophobicContact CB-CD 4.37Å; L190-K198 HydrophobicContact CB-CG 4.29Å; L190-K198 HydrophobicContact CD1-CB 4.5Å; L190-K198 WeakPolarHBondContact CD1-O 3.29Å; L190-K198 WeakPolarHBondContact O-CD 3.16Å; G192-K198 PolarHBondContact O-NZ 3.49Å; T193-K198 PolarHBondContact O-NZ 3Å; K198-E200 PolarHBondContact O-N 2.73Å; K198-E200 VanDerWaalsContact O-N 3.14Å; K198-V201 WeakPolarHBondContact O-CB 3.43Å; K198-V201 PolarHBondContact O-N 2.57Å; K198-I202 PolarHBondContact O-N 2.9Å; K198-F482 HydrophobicContact CG-CD2 3.9Å; K198-F482 HydrophobicContact CG-CE2 4.13Å; K198-F482 HydrophobicContact CG-CG 4.41Å
199	S	94.2	Very high	95.3	Very high	32 Å²	32	19.3 Å²	19.3	22%	0.224	12%	0.12	C	C	.	.	H	α-helix	trans	-62.9	-23.3	-178.6	-36.6	0	0	0	0	113	G197 I202 R203 D425	G197-S199 PolarHBondContact O-N 3.36Å; S199-I202 PolarHBondContact O-N 2.68Å; S199-R203 WeakPolarHBondContact O-CB 3.39Å; S199-R203 WeakPolarHBondContact O-CG 3.47Å; S199-R203 PolarHBondContact O-N 3.42Å; S199-D425 WeakPolarHBondContact CB-OD2 3.1Å; S199-D425 PolarHBondContact OG-OD2 2.95Å
200	E	94.7	Very high	95.2	Very high	3 Å²	3	21 Å²	21	1%	0.014	13%	0.127	C	C	.	.	H	α-helix	trans	-69.6	-36.1	174.3	-177.3	52.8	-144.6	0	0	111.8	G197 K198 R204 L543 R565	G197-E200 WeakPolarHBondContact O-CB 3.36Å; G197-E200 PolarHBondContact O-N 3.38Å; K198-E200 PolarHBondContact O-N 2.73Å; K198-E200 VanDerWaalsContact O-N 3.14Å; E200-R204 VanDerWaalsContact O-CG 3.28Å; E200-R204 WeakPolarHBondContact O-CG 3.48Å; E200-R204 PolarHBondContact O-N 3.48Å; E200-R204 IonicContact OE1-NE 3.48Å; E200-R204 PolarHBondContact OE1-NE 2.81Å; E200-L543 HydrophobicContact CB-CD2 4.15Å; E200-L543 HydrophobicContact CG-CD2 4.39Å; E200-R565 IonicContact OE1-CZ 3.62Å; E200-R565 IonicContact OE1-NH1 3.69Å; E200-R565 IonicContact OE1-NH2 2.74Å; E200-R565 PolarHBondContact OE1-NH2 3.06Å; E200-R565 IonicContact OE2-CZ 2.63Å; E200-R565 IonicContact OE2-NH1 3.54Å; E200-R565 PolarHBondContact OE2-NH1 2.98Å; E200-R565 IonicContact OE2-NH2 3.56Å
201	V	96	Very high	95	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-66.3	-45.9	172.3	178.1	0	0	0	0	110.5	I174 L190 K198 R203 R204 L205 F482 L560	I174-V201 HydrophobicContact CD1-CG1 4.29Å; I174-V201 HydrophobicContact CG1-CG1 4.48Å; I174-V201 HydrophobicContact CG2-CG1 4.39Å; I174-V201 HydrophobicContact CG2-CG2 4.24Å; L190-V201 HydrophobicContact CD1-CB 4.02Å; L190-V201 HydrophobicContact CD1-CG1 4.17Å; L190-V201 HydrophobicContact CD2-CB 4.14Å; L190-V201 HydrophobicContact CD2-CG1 3.75Å; K198-V201 WeakPolarHBondContact O-CB 3.43Å; K198-V201 PolarHBondContact O-N 2.57Å; V201-R203 VanDerWaalsContact C-N 3.31Å; V201-R203 PolarHBondContact O-N 2.86Å; V201-R204 WeakPolarHBondContact O-CB 3.26Å; V201-R204 PolarHBondContact O-N 2.67Å; V201-R204 VanDerWaalsContact O-N 3.11Å; V201-L205 HydrophobicContact CG1-CD1 4.23Å; V201-L205 HydrophobicContact CG1-CG 4.46Å; V201-L205 WeakPolarHBondContact O-CG 3.25Å; V201-L205 PolarHBondContact O-N 2.89Å; V201-F482 HydrophobicContact CG2-CE2 4.45Å; V201-F482 HydrophobicContact CG2-CZ 3.74Å; V201-L560 HydrophobicContact CG2-CD1 3.49Å; V201-L560 VanDerWaalsContact CG2-CD1 3.49Å
202	I	96.2	Very high	94.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-53.6	-50.6	175.9	-62.9	-178.8	0	0	0	110.3	L190 K198 S199 R204 L205 A206 F225 F423 D425 V451	L190-I202 HydrophobicContact CD1-CD1 4.09Å; L190-I202 HydrophobicContact CD1-CG1 3.43Å; L190-I202 VanDerWaalsContact CD1-CG1 3.43Å; K198-I202 PolarHBondContact O-N 2.9Å; S199-I202 PolarHBondContact O-N 2.68Å; I202-R204 VanDerWaalsContact C-N 3.31Å; I202-R204 PolarHBondContact O-N 3.2Å; I202-L205 PolarHBondContact O-N 3.31Å; I202-A206 WeakPolarHBondContact O-CB 3.29Å; I202-A206 PolarHBondContact O-N 3.24Å; I202-F225 HydrophobicContact CB-CE1 4.26Å; I202-F225 HydrophobicContact CB-CZ 4.22Å; I202-F225 HydrophobicContact CG2-CE1 3.51Å; I202-F225 HydrophobicContact CG2-CZ 3.6Å; I202-F423 HydrophobicContact CG2-CB 3.99Å; I202-F423 HydrophobicContact CG2-CD1 3.62Å; I202-F423 HydrophobicContact CG2-CE1 4.35Å; I202-F423 HydrophobicContact CG2-CG 3.97Å; I202-D425 HydrophobicContact CD1-CB 3.71Å; I202-V451 HydrophobicContact CG1-CG1 4.08Å
203	R	95.5	Very high	94.9	Very high	34 Å²	34	32.7 Å²	32.7	13%	0.128	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-32.3	-179.3	-68.5	179.4	-167.7	108.5	-3.5	113.2	S199 V201 N207 E224 F225 Y229 R565	S199-R203 WeakPolarHBondContact O-CB 3.39Å; S199-R203 WeakPolarHBondContact O-CG 3.47Å; S199-R203 PolarHBondContact O-N 3.42Å; V201-R203 VanDerWaalsContact C-N 3.31Å; V201-R203 PolarHBondContact O-N 2.86Å; R203-N207 PolarHBondContact O-N 2.99Å; R203-N207 PolarHBondContact O-OD1 2.95Å; R203-E224 IonicContact NH2-OE2 3.16Å; R203-F225 HydrophobicContact CG-CD1 4.15Å; R203-F225 HydrophobicContact CG-CE1 3.62Å; R203-Y229 HydrophobicContact CB-CE2 4.46Å; R203-Y229 HydrophobicContact CG-CE2 4.16Å; R203-Y229 PolarHBondContact O-OH 3.17Å; R203-R565 VanDerWaalsContact CD-CZ 3.42Å
204	R	95.2	Very high	94.9	Very high	22 Å²	22	32.3 Å²	32.3	8%	0.083	18%	0.176	C	C	.	.	H	α-helix	trans	-66.5	-46.1	173.7	-74.2	170.7	-179.4	-146.5	-0.5	111.4	G175 E200 V201 I202 A206 N207 Y208 L560 K561	G175-R204 VanDerWaalsContact N-NH1 3.12Å; E200-R204 VanDerWaalsContact O-CG 3.28Å; E200-R204 WeakPolarHBondContact O-CG 3.48Å; E200-R204 PolarHBondContact O-N 3.48Å; E200-R204 IonicContact OE1-NE 3.48Å; E200-R204 PolarHBondContact OE1-NE 2.81Å; V201-R204 WeakPolarHBondContact O-CB 3.26Å; V201-R204 PolarHBondContact O-N 2.67Å; V201-R204 VanDerWaalsContact O-N 3.11Å; I202-R204 VanDerWaalsContact C-N 3.31Å; I202-R204 PolarHBondContact O-N 3.2Å; R204-A206 VanDerWaalsContact C-N 3.31Å; R204-A206 PolarHBondContact O-N 2.57Å; R204-N207 WeakPolarHBondContact O-CB 3.18Å; R204-N207 PolarHBondContact O-N 2.85Å; R204-Y208 VanDerWaalsContact O-CD2 3.22Å; R204-Y208 WeakPolarHBondContact O-CD2 3.24Å; R204-Y208 PolarHBondContact O-N 3.5Å; R204-L560 VanDerWaalsContact NH1-CD2 3.32Å; R204-K561 PolarHBondContact NH2-O 3.37Å
205	L	96.7	Very high	95.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-42.2	174.4	-65	176.4	0	0	0	111.2	I172 F188 V201 I202 N207 Y208 A209 F423 V451	I172-L205 HydrophobicContact CG2-CD2 3.5Å; I172-L205 VanDerWaalsContact CG2-CD2 3.5Å; F188-L205 HydrophobicContact CD1-CD1 4.25Å; F188-L205 HydrophobicContact CE1-CD1 4.37Å; F188-L205 HydrophobicContact CG-CD1 4.38Å; V201-L205 HydrophobicContact CG1-CD1 4.23Å; V201-L205 HydrophobicContact CG1-CG 4.46Å; V201-L205 WeakPolarHBondContact O-CG 3.25Å; V201-L205 PolarHBondContact O-N 2.89Å; I202-L205 PolarHBondContact O-N 3.31Å; L205-N207 VanDerWaalsContact C-N 3.29Å; L205-N207 PolarHBondContact O-N 3.03Å; L205-Y208 WeakPolarHBondContact O-CB 3.31Å; L205-Y208 PolarHBondContact O-N 2.8Å; L205-Y208 VanDerWaalsContact O-N 3.13Å; L205-A209 PolarHBondContact O-N 3.41Å; L205-F423 HydrophobicContact CB-CE1 3.68Å; L205-F423 HydrophobicContact CB-CZ 3.96Å; L205-F423 HydrophobicContact CD1-CE1 4.38Å; L205-V451 HydrophobicContact CD1-CG1 4.16Å; L205-V451 HydrophobicContact CD1-CG2 3.97Å
206	A	96.4	Very high	95.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.7	-37.2	175.6	0	0	0	0	0	112.3	I202 R204 Y208 A209 R210 Y229 W381 F423	I202-A206 WeakPolarHBondContact O-CB 3.29Å; I202-A206 PolarHBondContact O-N 3.24Å; R204-A206 VanDerWaalsContact C-N 3.31Å; R204-A206 PolarHBondContact O-N 2.57Å; A206-Y208 PolarHBondContact O-N 2.87Å; A206-A209 PolarHBondContact O-N 3.35Å; A206-R210 WeakPolarHBondContact O-CB 3.33Å; A206-R210 PolarHBondContact O-N 3.49Å; A206-Y229 HydrophobicContact CB-CE1 4.47Å; A206-W381 HydrophobicContact CB-CH2 3.82Å; A206-W381 HydrophobicContact CB-CZ3 4.28Å; A206-W381 VanDerWaalsContact O-CH2 3.24Å; A206-W381 WeakPolarHBondContact O-CH2 3.29Å; A206-W381 WeakPolarHBondContact O-CZ2 3.41Å; A206-F423 HydrophobicContact CB-CE2 4.21Å; A206-F423 HydrophobicContact CB-CZ 4.27Å
207	N	95.5	Very high	95.6	Very high	46 Å²	46	24.9 Å²	24.9	25%	0.246	12%	0.117	C	C	.	.	H	α-helix	trans	-60.4	-45.4	174.3	-69.8	-14.7	0	0	0	111.8	R203 R204 L205 R210 Q211 Y229	R203-N207 PolarHBondContact O-N 2.99Å; R203-N207 PolarHBondContact O-OD1 2.95Å; R204-N207 WeakPolarHBondContact O-CB 3.18Å; R204-N207 PolarHBondContact O-N 2.85Å; L205-N207 VanDerWaalsContact C-N 3.29Å; L205-N207 PolarHBondContact O-N 3.03Å; N207-R210 PolarHBondContact O-N 3.07Å; N207-Q211 WeakPolarHBondContact O-CB 3.43Å; N207-Q211 VanDerWaalsContact O-CG 3.25Å; N207-Q211 WeakPolarHBondContact O-CG 3.09Å; N207-Q211 PolarHBondContact O-N 2.95Å; N207-Y229 VanDerWaalsContact OD1-CE1 3.25Å; N207-Y229 WeakPolarHBondContact OD1-CE1 3.16Å; N207-Y229 PolarHBondContact OD1-OH 3.02Å
208	Y	95.6	Very high	95.8	Very high	55 Å²	55	24.4 Å²	24.4	22%	0.216	11%	0.112	C	C	.	.	H	α-helix	trans	-62.6	-46.4	175.9	-73.9	-74.7	0	0	0	111.4	D171 I172 R173 R204 L205 A206 R210 Q211 R212	D171-Y208 VanDerWaalsContact O-CE1 3.26Å; D171-Y208 WeakPolarHBondContact O-CE1 3.49Å; I172-Y208 HydrophobicContact CB-CD2 4.46Å; I172-Y208 HydrophobicContact CG1-CD1 4.18Å; I172-Y208 HydrophobicContact CG1-CD2 4.29Å; I172-Y208 HydrophobicContact CG1-CG 3.9Å; I172-Y208 HydrophobicContact CG2-CD2 4.09Å; I172-Y208 HydrophobicContact CG2-CE2 4.35Å; R173-Y208 PolarHBondContact N-OH 3.32Å; R204-Y208 VanDerWaalsContact O-CD2 3.22Å; R204-Y208 WeakPolarHBondContact O-CD2 3.24Å; R204-Y208 PolarHBondContact O-N 3.5Å; L205-Y208 WeakPolarHBondContact O-CB 3.31Å; L205-Y208 PolarHBondContact O-N 2.8Å; L205-Y208 VanDerWaalsContact O-N 3.13Å; A206-Y208 PolarHBondContact O-N 2.87Å; Y208-R210 VanDerWaalsContact C-N 3.29Å; Y208-R210 PolarHBondContact O-N 3.11Å; Y208-Q211 PolarHBondContact O-N 3.13Å; Y208-R212 WeakPolarHBondContact O-CB 3.21Å; Y208-R212 WeakPolarHBondContact O-CG 3.07Å; Y208-R212 PolarHBondContact O-N 2.66Å
209	A	95.8	Very high	95.9	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.3	-42.6	176.7	0	0	0	0	0	111.6	L205 A206 R212 G213 D214 V216 W381 W421	L205-A209 PolarHBondContact O-N 3.41Å; A206-A209 PolarHBondContact O-N 3.35Å; A209-R212 PolarHBondContact O-N 3.36Å; A209-G213 PolarHBondContact O-N 2.89Å; A209-D214 HydrophobicContact CB-CB 4.2Å; A209-D214 PolarHBondContact O-N 2.99Å; A209-V216 HydrophobicContact CB-CG2 3.83Å; A209-W381 HydrophobicContact CB-CZ2 4.23Å; A209-W421 HydrophobicContact CB-CG 4.2Å
210	R	95.3	Very high	95.8	Very high	37 Å²	37	22.5 Å²	22.5	14%	0.14	10%	0.1	C	C	.	.	H	α-helix	trans	-68.6	-40.1	179.3	-170.4	59.5	77.6	160	21.1	112.1	A206 N207 Y208 G213 Y229 D235 W381	A206-R210 WeakPolarHBondContact O-CB 3.33Å; A206-R210 PolarHBondContact O-N 3.49Å; N207-R210 PolarHBondContact O-N 3.07Å; Y208-R210 VanDerWaalsContact C-N 3.29Å; Y208-R210 PolarHBondContact O-N 3.11Å; R210-G213 PolarHBondContact O-N 3.12Å; R210-Y229 PolarHBondContact NH2-O 3.33Å; R210-Y229 VanDerWaalsContact NH2-O 3.11Å; R210-D235 IonicContact CZ-OD1 3.73Å; R210-D235 IonicContact CZ-OD2 2.77Å; R210-D235 IonicContact NH1-OD1 2.74Å; R210-D235 PolarHBondContact NH1-OD1 3.08Å; R210-D235 IonicContact NH1-OD2 3.88Å; R210-D235 IonicContact NH2-OD1 3.24Å; R210-D235 PolarHBondContact NH2-OD1 2.83Å; R210-D235 IonicContact NH2-OD2 3.28Å; R210-D235 PolarHBondContact NH2-OD2 2.81Å; R210-W381 HydrophobicContact CB-CH2 3.83Å; R210-W381 HydrophobicContact CB-CZ2 3.43Å; R210-W381 VanDerWaalsContact CB-CZ2 3.43Å; R210-W381 HydrophobicContact CG-CZ2 4.17Å; R210-W381 VanDerWaalsContact CZ-CG 3.41Å; R210-W381 VanDerWaalsContact NE-CZ2 3.34Å; R210-W381 VanDerWaalsContact NH2-CE3 3.26Å
211	Q	94.3	Very high	95.6	Very high	155 Å²	155	26.8 Å²	26.8	72%	0.724	12%	0.116	S	C	*	.	H	α-helix	trans	-66.1	-38.8	178.6	-75.4	173.2	8.6	0	0	112	N207 Y208 G213	N207-Q211 WeakPolarHBondContact O-CB 3.43Å; N207-Q211 VanDerWaalsContact O-CG 3.25Å; N207-Q211 WeakPolarHBondContact O-CG 3.09Å; N207-Q211 PolarHBondContact O-N 2.95Å; Y208-Q211 PolarHBondContact O-N 3.13Å; Q211-G213 VanDerWaalsContact C-N 3.29Å
212	R	93.8	Very high	95.2	Very high	84 Å²	84	30 Å²	30	32%	0.317	14%	0.139	S	C	.	.	H	α-helix	trans	-74.6	-18.8	175.6	-69.8	178	175.4	-177.8	-2.2	113.4	D171 E184 Y208 A209 D214	D171-R212 IonicContact OD1-CZ 3.81Å; D171-R212 IonicContact OD1-NH2 3.75Å; D171-R212 PolarHBondContact OD1-NH2 3.17Å; D171-R212 IonicContact OD2-CZ 3.25Å; D171-R212 VanDerWaalsContact OD2-CZ 3.24Å; D171-R212 IonicContact OD2-NE 3.77Å; D171-R212 PolarHBondContact OD2-NE 2.92Å; D171-R212 IonicContact OD2-NH2 3.56Å; D171-R212 PolarHBondContact OD2-NH2 3.17Å; E184-R212 IonicContact OE1-NH1 3.49Å; E184-R212 IonicContact OE1-NH2 3.59Å; Y208-R212 WeakPolarHBondContact O-CB 3.21Å; Y208-R212 WeakPolarHBondContact O-CG 3.07Å; Y208-R212 PolarHBondContact O-N 2.66Å; A209-R212 PolarHBondContact O-N 3.36Å; R212-D214 WeakPolarHBondContact CB-OD1 3.29Å
213	G	95	Very high	94.9	Very high	8 Å²	8	30.1 Å²	30.1	8%	0.082	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	19.1	-175.8	0	0	0	0	0	113.5	A209 R210 Q211 N379	A209-G213 PolarHBondContact O-N 2.89Å; R210-G213 PolarHBondContact O-N 3.12Å; Q211-G213 VanDerWaalsContact C-N 3.29Å; G213-N379 WeakPolarHBondContact O-CB 3.49Å; G213-N379 PolarHBondContact O-N 3.06Å; G213-N379 PolarHBondContact O-ND2 3.5Å
214	D	96	Very high	94.7	Very high	23 Å²	23	31.3 Å²	31.3	12%	0.123	15%	0.147	C	C	.	.			trans	-63	150.2	-179.9	-62.2	-13.1	0	0	0	111	A209 R212 W381 R419 W421	A209-D214 HydrophobicContact CB-CB 4.2Å; A209-D214 PolarHBondContact O-N 2.99Å; R212-D214 WeakPolarHBondContact CB-OD1 3.29Å; D214-W381 PolarHBondContact O-NE1 2.8Å; D214-R419 HydrophobicContact CB-CB 4.34Å; D214-W421 PolarHBondContact OD2-NE1 3.26Å
215	M	97	Very high	94.7	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.015	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	136	171.5	-178.6	175.5	-82.6	0	0	109.6	W369 M370 V373 N379 M412 V420 W421	M215-W369 HydrophobicContact CE-CH2 4.48Å; M215-W369 HydrophobicContact CE-CZ2 4.49Å; M215-W369 HydrophobicContact CG-CH2 3.72Å; M215-W369 HydrophobicContact CG-CZ2 4.29Å; M215-W369 HydrophobicContact CG-CZ3 4.2Å; M215-W369 HydrophobicContact SD-CH2 4.12Å; M215-W369 HydrophobicContact SD-CZ3 4.05Å; M215-M370 HydrophobicContact SD-CB 4.48Å; M215-M370 HydrophobicContact SD-CG 4.36Å; M215-V373 HydrophobicContact CB-CG2 4.29Å; M215-V373 HydrophobicContact CE-CB 3.59Å; M215-V373 HydrophobicContact CE-CG2 3.88Å; M215-V373 HydrophobicContact SD-CB 4.23Å; M215-V373 HydrophobicContact SD-CG2 4.27Å; M215-N379 HydrophobicContact CB-CB 3.96Å; M215-M412 HydrophobicContact SD-CE 4.18Å; M215-V420 HydrophobicContact CG-CG1 4.36Å; M215-V420 WeakPolarHBondContact O-CA 3.44Å; M215-V420 HydrophobicContact SD-CG1 4.47Å; M215-W421 PolarHBondContact O-N 2.77Å
216	V	98	Very high	94.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.7	-174.6	-176.1	0	0	0	0	111	A209 I218 W381 L382 W421 F423	A209-V216 HydrophobicContact CB-CG2 3.83Å; V216-I218 HydrophobicContact CG1-CD1 3.95Å; V216-I218 HydrophobicContact CG1-CG1 3.5Å; V216-I218 VanDerWaalsContact CG1-CG1 3.5Å; V216-W381 HydrophobicContact CB-CB 4.36Å; V216-W381 HydrophobicContact CB-CD2 3.73Å; V216-W381 HydrophobicContact CB-CE3 4.46Å; V216-W381 HydrophobicContact CB-CG 3.68Å; V216-W381 HydrophobicContact CB-CZ2 4.33Å; V216-W381 HydrophobicContact CG1-CD2 4.17Å; V216-W381 HydrophobicContact CG1-CE3 4.42Å; V216-W381 HydrophobicContact CG1-CG 4.47Å; V216-W381 HydrophobicContact CG2-CD2 3.99Å; V216-W381 HydrophobicContact CG2-CG 4.19Å; V216-W381 HydrophobicContact CG2-CZ2 3.71Å; V216-W381 CarbonylContact O-C 3.56Å; V216-W381 WeakPolarHBondContact O-CA 3.46Å; V216-L382 PolarHBondContact O-N 2.85Å; V216-W421 CarbonylContact C-O 3.55Å; V216-W421 WeakPolarHBondContact CA-O 3.42Å; V216-W421 HydrophobicContact CB-CB 4.4Å; V216-W421 HydrophobicContact CG1-CB 4.12Å; V216-W421 HydrophobicContact CG2-CB 4.01Å; V216-W421 HydrophobicContact CG2-CG 4.4Å; V216-F423 HydrophobicContact CG1-CD2 3.38Å; V216-F423 HydrophobicContact CG1-CE2 3.53Å; V216-F423 HydrophobicContact CG2-CE2 4.4Å
217	V	98.1	Very high	94.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.8	166	-177.5	0	0	0	0	107.7	W369 L382 I384 L402 A405 W421 F422 F423	V217-W369 HydrophobicContact CG2-CH2 4.28Å; V217-W369 HydrophobicContact CG2-CZ3 3.98Å; V217-L382 CarbonylContact C-O 3.39Å; V217-L382 WeakPolarHBondContact CA-O 3.38Å; V217-L382 HydrophobicContact CG1-CD2 4.42Å; V217-L382 HydrophobicContact CG2-CB 4.38Å; V217-L382 HydrophobicContact CG2-CD2 4.45Å; V217-I384 HydrophobicContact CG1-CD1 3.99Å; V217-I384 HydrophobicContact CG1-CG1 4.44Å; V217-L402 HydrophobicContact CG1-CD1 4.16Å; V217-A405 HydrophobicContact CG1-CB 4.22Å; V217-A405 HydrophobicContact CG2-CB 4.29Å; V217-W421 PolarHBondContact N-O 3.35Å; V217-F422 HydrophobicContact CB-CD1 3.83Å; V217-F422 HydrophobicContact CB-CE1 3.98Å; V217-F422 HydrophobicContact CG1-CD1 4.17Å; V217-F422 HydrophobicContact CG1-CE1 4.3Å; V217-F422 HydrophobicContact CG2-CD1 4.29Å; V217-F422 HydrophobicContact CG2-CE1 3.94Å; V217-F422 HydrophobicContact CG2-CZ 4.39Å; V217-F422 WeakPolarHBondContact O-CA 2.95Å; V217-F423 PolarHBondContact O-N 3.14Å
218	I	97.7	Very high	94.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.7	179.9	-52.9	-168.7	0	0	0	108.9	V216 D220 F225 W381 L382 F383 I384 F423	V216-I218 HydrophobicContact CG1-CD1 3.95Å; V216-I218 HydrophobicContact CG1-CG1 3.5Å; V216-I218 VanDerWaalsContact CG1-CG1 3.5Å; I218-D220 HydrophobicContact CG2-CB 4.25Å; I218-F225 HydrophobicContact CD1-CB 4.45Å; I218-F225 HydrophobicContact CG2-CB 3.99Å; I218-F225 HydrophobicContact CG2-CD2 3.95Å; I218-F225 HydrophobicContact CG2-CG 3.9Å; I218-W381 HydrophobicContact CD1-CE3 3.6Å; I218-W381 HydrophobicContact CD1-CZ3 3.68Å; I218-L382 PolarHBondContact N-O 3.49Å; I218-F383 HydrophobicContact CB-CD1 4.19Å; I218-F383 HydrophobicContact CD1-CD1 4.36Å; I218-F383 HydrophobicContact CD1-CE1 3.88Å; I218-F383 HydrophobicContact CD1-CZ 4.49Å; I218-I384 PolarHBondContact O-N 2.9Å; I218-F423 HydrophobicContact CD1-CD2 4.33Å; I218-F423 HydrophobicContact CG1-CB 4.35Å; I218-F423 HydrophobicContact CG1-CD2 4.1Å; I218-F423 HydrophobicContact CG2-CB 4.34Å
219	Y	96.4	Very high	94.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	111.9	161.6	169.1	-120.4	0	0	0	109	R221 I384 H391 I398 F423 C424 D425 T429 L430	Y219-R221 HydrophobicContact CE1-CB 4.33Å; Y219-R221 HydrophobicContact CE2-CB 4.43Å; Y219-R221 WeakPolarHBondContact OH-CB 3.29Å; Y219-I384 WeakPolarHBondContact CA-O 3.44Å; Y219-H391 PolarHBondContact OH-CE1 3.23Å; Y219-I398 HydrophobicContact CD2-CG2 3.94Å; Y219-I398 HydrophobicContact CE2-CG2 3.69Å; Y219-F423 PolarHBondContact N-O 2.57Å; Y219-C424 HydrophobicContact CD1-CB 4.41Å; Y219-D425 WeakPolarHBondContact CD1-O 3.22Å; Y219-D425 WeakPolarHBondContact CE1-O 3.13Å; Y219-T429 PolarHBondContact OH-OG1 2.95Å; Y219-L430 HydrophobicContact CD1-CD1 4.16Å; Y219-L430 HydrophobicContact CD1-CG 4.47Å; Y219-L430 HydrophobicContact CD2-CD2 4.22Å; Y219-L430 HydrophobicContact CE1-CD1 4.24Å; Y219-L430 HydrophobicContact CE1-CD2 4.16Å; Y219-L430 HydrophobicContact CE1-CG 4.06Å; Y219-L430 HydrophobicContact CE2-CD2 3.68Å; Y219-L430 HydrophobicContact CE2-CG 4.43Å; Y219-L430 HydrophobicContact CG-CD1 4.3Å
220	D	93.8	Very high	94.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	84.9	-173.2	-173.9	4.3	0	0	0	111.1	I218 S222 G223 E224 F225 V226 I384 S385 S386	I218-D220 HydrophobicContact CG2-CB 4.25Å; D220-S222 PolarHBondContact O-N 3.25Å; D220-S222 VanDerWaalsContact O-N 3.15Å; D220-G223 VanDerWaalsContact CG-CA 3.46Å; D220-G223 WeakPolarHBondContact OD1-CA 3.47Å; D220-G223 PolarHBondContact OD1-N 3.24Å; D220-G223 WeakPolarHBondContact OD2-CA 3.43Å; D220-E224 PolarHBondContact OD1-N 3.25Å; D220-E224 PolarHBondContact OD2-N 2.9Å; D220-F225 HydrophobicContact CB-CB 4.36Å; D220-F225 HydrophobicContact CB-CD2 4.11Å; D220-F225 WeakPolarHBondContact OD2-CA 3.46Å; D220-F225 WeakPolarHBondContact OD2-CB 3.03Å; D220-F225 PolarHBondContact OD2-N 3.09Å; D220-V226 WeakPolarHBondContact OD2-CG2 3.4Å; D220-V226 PolarHBondContact OD2-N 2.94Å; D220-I384 PolarHBondContact N-O 2.99Å; D220-S385 WeakPolarHBondContact O-CA 3.35Å; D220-S385 WeakPolarHBondContact O-CB 3.45Å; D220-S386 PolarHBondContact O-N 3.09Å
221	R	90.5	Very high	94.7	Very high	94 Å²	94	32 Å²	32	36%	0.355	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.8	-175.8	-177.5	176.4	158	115.6	-7.2	114.1	Y219 S386 H391	Y219-R221 HydrophobicContact CE1-CB 4.33Å; Y219-R221 HydrophobicContact CE2-CB 4.43Å; Y219-R221 WeakPolarHBondContact OH-CB 3.29Å; R221-S386 CarbonylContact C-O 3.57Å; R221-S386 WeakPolarHBondContact CA-OG 3.21Å; R221-S386 CarbonylContact O-C 3.57Å; R221-S386 PolarHBondContact O-OG 3.35Å; R221-H391 PolarHBondContact NH1-CD2 3.19Å; R221-H391 PolarHBondContact NH1-NE2 3.14Å; R221-H391 VanDerWaalsContact NH1-NE2 3.17Å
222	S	87.5	Confident	94.7	Very high	68 Å²	68	29.2 Å²	29.2	48%	0.476	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	0.6	-170.6	63	0	0	0	0	114.9	D220 E224	D220-S222 PolarHBondContact O-N 3.25Å; D220-S222 VanDerWaalsContact O-N 3.15Å; S222-E224 VanDerWaalsContact C-N 3.29Å; S222-E224 PolarHBondContact O-N 3.45Å; S222-E224 WeakPolarHBondContact OG-CG 3.2Å
223	G	90	Very high	94.7	Very high	2 Å²	2	29.6 Å²	29.6	2%	0.021	17%	0.165	C	C	.	.	S	Bend	trans	76.1	13	-177.9	0	0	0	0	0	114.6	D220 K227	D220-G223 VanDerWaalsContact CG-CA 3.46Å; D220-G223 WeakPolarHBondContact OD1-CA 3.47Å; D220-G223 PolarHBondContact OD1-N 3.24Å; D220-G223 WeakPolarHBondContact OD2-CA 3.43Å; G223-K227 VanDerWaalsContact O-CB 3.28Å; G223-K227 WeakPolarHBondContact O-CB 3.38Å; G223-K227 PolarHBondContact O-N 3.09Å
224	E	91	Very high	94.7	Very high	60 Å²	60	31.8 Å²	31.8	28%	0.28	17%	0.174	S	C	.	.	H	α-helix	trans	-74.9	-30	-175.3	-82.8	-71	127.2	0	0	112.4	R203 D220 S222 K227 S228	R203-E224 IonicContact NH2-OE2 3.16Å; D220-E224 PolarHBondContact OD1-N 3.25Å; D220-E224 PolarHBondContact OD2-N 2.9Å; S222-E224 VanDerWaalsContact C-N 3.29Å; S222-E224 PolarHBondContact O-N 3.45Å; S222-E224 WeakPolarHBondContact OG-CG 3.2Å; E224-K227 IonicContact OE1-NZ 2.81Å; E224-K227 PolarHBondContact OE1-NZ 2.83Å; E224-S228 PolarHBondContact O-OG 2.87Å
225	F	95.2	Very high	94.8	Very high	5 Å²	5	30.8 Å²	30.8	2%	0.022	17%	0.169	C	C	.	.	H	α-helix	trans	-80	-41.2	174.7	-62.8	-82.7	0	0	0	110.7	I202 R203 I218 D220 K227 S228 Y229 F383 D425	I202-F225 HydrophobicContact CB-CE1 4.26Å; I202-F225 HydrophobicContact CB-CZ 4.22Å; I202-F225 HydrophobicContact CG2-CE1 3.51Å; I202-F225 HydrophobicContact CG2-CZ 3.6Å; R203-F225 HydrophobicContact CG-CD1 4.15Å; R203-F225 HydrophobicContact CG-CE1 3.62Å; I218-F225 HydrophobicContact CD1-CB 4.45Å; I218-F225 HydrophobicContact CG2-CB 3.99Å; I218-F225 HydrophobicContact CG2-CD2 3.95Å; I218-F225 HydrophobicContact CG2-CG 3.9Å; D220-F225 HydrophobicContact CB-CB 4.36Å; D220-F225 HydrophobicContact CB-CD2 4.11Å; D220-F225 WeakPolarHBondContact OD2-CA 3.46Å; D220-F225 WeakPolarHBondContact OD2-CB 3.03Å; D220-F225 PolarHBondContact OD2-N 3.09Å; F225-K227 VanDerWaalsContact C-N 3.29Å; F225-K227 PolarHBondContact O-N 3.36Å; F225-S228 PolarHBondContact O-N 3.41Å; F225-S228 VanDerWaalsContact O-N 3.1Å; F225-Y229 HydrophobicContact CD1-CD2 4.4Å; F225-Y229 HydrophobicContact CD1-CE2 4.36Å; F225-Y229 WeakPolarHBondContact O-CB 3.49Å; F225-Y229 PolarHBondContact O-N 2.94Å; F225-F383 HydrophobicContact CB-CD1 4.36Å; F225-F383 HydrophobicContact CB-CE1 4.06Å; F225-D425 HydrophobicContact CE2-CB 4.13Å; F225-D425 HydrophobicContact CZ-CB 4.43Å
226	V	95.7	Very high	94.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-53.5	-50	172.7	170.8	0	0	0	0	110.2	D220 S228 Y229 Y230 I237 F383	D220-V226 WeakPolarHBondContact OD2-CG2 3.4Å; D220-V226 PolarHBondContact OD2-N 2.94Å; V226-S228 PolarHBondContact O-N 3.17Å; V226-S228 VanDerWaalsContact O-N 3.13Å; V226-Y229 PolarHBondContact O-N 3.08Å; V226-Y230 HydrophobicContact CG1-CG 4.32Å; V226-Y230 WeakPolarHBondContact O-CB 3.41Å; V226-Y230 PolarHBondContact O-N 3.07Å; V226-I237 HydrophobicContact CG1-CD1 4Å; V226-F383 HydrophobicContact CG2-CB 3.78Å; V226-F383 HydrophobicContact CG2-CD1 3.65Å; V226-F383 HydrophobicContact CG2-CE1 4.4Å; V226-F383 HydrophobicContact CG2-CG 3.81Å
227	K	94.5	Very high	94.8	Very high	49 Å²	49	34.8 Å²	34.8	21%	0.213	19%	0.186	C	C	.	.	H	α-helix	trans	-54.5	-32.1	178.4	-180	-178.8	175.9	175	0	114.5	G223 E224 F225 K567 V568 A569 E571	G223-K227 VanDerWaalsContact O-CB 3.28Å; G223-K227 WeakPolarHBondContact O-CB 3.38Å; G223-K227 PolarHBondContact O-N 3.09Å; E224-K227 IonicContact OE1-NZ 2.81Å; E224-K227 PolarHBondContact OE1-NZ 2.83Å; F225-K227 VanDerWaalsContact C-N 3.29Å; F225-K227 PolarHBondContact O-N 3.36Å; K227-K567 HydrophobicContact CG-CB 4.45Å; K227-K567 HydrophobicContact CG-CD 4.27Å; K227-K567 HydrophobicContact CG-CG 3.88Å; K227-V568 WeakPolarHBondContact O-CG2 3.31Å; K227-V568 PolarHBondContact O-N 3.05Å; K227-A569 WeakPolarHBondContact CA-O 3.39Å; K227-A569 PolarHBondContact O-N 3.32Å; K227-E571 HydrophobicContact CB-CB 4.36Å; K227-E571 IonicContact NZ-OE2 3.96Å
228	S	94.6	Very high	94.8	Very high	20 Å²	20	34.8 Å²	34.8	14%	0.14	19%	0.186	C	C	.	.	H	α-helix	trans	-102.6	-24.2	-172.5	-54.5	0	0	0	0	114.2	E224 F225 V226 V568	E224-S228 PolarHBondContact O-OG 2.87Å; F225-S228 PolarHBondContact O-N 3.41Å; F225-S228 VanDerWaalsContact O-N 3.1Å; V226-S228 PolarHBondContact O-N 3.17Å; V226-S228 VanDerWaalsContact O-N 3.13Å; S228-V568 VanDerWaalsContact C-CG2 3.48Å
229	Y	96.2	Very high	94.7	Very high	24 Å²	24	34.9 Å²	34.9	9%	0.094	19%	0.187	C	C	.	.	H	α-helix	trans	-130	-13	-167.5	-69.2	-81	0	0	0	115.5	R203 A206 N207 R210 F225 V226 D231 W381 R565	R203-Y229 HydrophobicContact CB-CE2 4.46Å; R203-Y229 HydrophobicContact CG-CE2 4.16Å; R203-Y229 PolarHBondContact O-OH 3.17Å; A206-Y229 HydrophobicContact CB-CE1 4.47Å; N207-Y229 VanDerWaalsContact OD1-CE1 3.25Å; N207-Y229 WeakPolarHBondContact OD1-CE1 3.16Å; N207-Y229 PolarHBondContact OD1-OH 3.02Å; R210-Y229 PolarHBondContact NH2-O 3.33Å; R210-Y229 VanDerWaalsContact NH2-O 3.11Å; F225-Y229 HydrophobicContact CD1-CD2 4.4Å; F225-Y229 HydrophobicContact CD1-CE2 4.36Å; F225-Y229 WeakPolarHBondContact O-CB 3.49Å; F225-Y229 PolarHBondContact O-N 2.94Å; V226-Y229 PolarHBondContact O-N 3.08Å; Y229-D231 PolarHBondContact O-N 3.41Å; Y229-W381 AromaticContact CD1-CH2 3.98Å; Y229-W381 HydrophobicContact CD1-CH2 3.98Å; Y229-W381 AromaticContact CD1-CZ3 3.74Å; Y229-W381 HydrophobicContact CD1-CZ3 3.74Å; Y229-W381 HydrophobicContact CE1-CH2 4.4Å; Y229-W381 HydrophobicContact CE1-CZ3 4.46Å; Y229-W381 HydrophobicContact CG-CH2 4.46Å; Y229-W381 AromaticContact CG-CZ3 3.77Å; Y229-W381 HydrophobicContact CG-CZ3 3.77Å; Y229-R565 PolarHBondContact OH-NE 2.86Å
230	Y	97.2	Very high	94.6	Very high	27 Å²	27	34.9 Å²	34.9	11%	0.106	19%	0.187	C	C	.	.			trans	-67.9	121.4	-172.9	179	-115.1	0	0	0	112.1	V226 P232 D235 I237 F383 A569	V226-Y230 HydrophobicContact CG1-CG 4.32Å; V226-Y230 WeakPolarHBondContact O-CB 3.41Å; V226-Y230 PolarHBondContact O-N 3.07Å; Y230-P232 HydrophobicContact CE1-CB 3.91Å; Y230-D235 HydrophobicContact CD2-CB 3.8Å; Y230-D235 HydrophobicContact CE2-CB 3.86Å; Y230-I237 HydrophobicContact CD1-CD1 4.07Å; Y230-I237 HydrophobicContact CD2-CD1 3.74Å; Y230-I237 HydrophobicContact CD2-CG1 3.8Å; Y230-I237 HydrophobicContact CE1-CD1 3.84Å; Y230-I237 HydrophobicContact CE2-CD1 3.53Å; Y230-I237 HydrophobicContact CE2-CG1 3.5Å; Y230-I237 HydrophobicContact CG-CD1 4Å; Y230-F383 HydrophobicContact CD2-CD2 4.03Å; Y230-F383 AromaticContact CD2-CE2 3.99Å; Y230-F383 HydrophobicContact CD2-CE2 3.99Å; Y230-A569 HydrophobicContact CD1-CB 3.95Å
231	D	96.1	Very high	94.7	Very high	50 Å²	50	35.8 Å²	35.8	27%	0.267	19%	0.192	S	C	.	.			trans	-114.1	104.9	173.2	-178.4	-11.5	0	0	0	109.7	Y229 S233 I234 D235 K378	Y229-D231 PolarHBondContact O-N 3.41Å; D231-S233 VanDerWaalsContact CG-OG 3.28Å; D231-S233 PolarHBondContact O-N 2.98Å; D231-S233 WeakPolarHBondContact OD1-CB 3.25Å; D231-S233 PolarHBondContact OD1-N 3.24Å; D231-S233 VanDerWaalsContact OD1-N 3.07Å; D231-S233 PolarHBondContact OD1-OG 2.89Å; D231-S233 PolarHBondContact OD2-OG 3.45Å; D231-I234 HydrophobicContact CB-CD1 4.48Å; D231-I234 HydrophobicContact CB-CG1 3.99Å; D231-I234 PolarHBondContact O-N 3.43Å; D231-D235 PolarHBondContact N-OD2 2.72Å; D231-D235 VanDerWaalsContact O-CB 3.26Å; D231-D235 WeakPolarHBondContact O-CB 3.49Å; D231-D235 PolarHBondContact O-N 3.34Å; D231-K378 IonicContact OD2-NZ 2.98Å
232	P	94.8	Very high	94.9	Very high	95 Å²	95	31.3 Å²	31.3	62%	0.617	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.1	-174.8	26.3	-34.9	0	0	0	114	Y230	Y230-P232 HydrophobicContact CE1-CB 3.91Å
233	S	94.4	Very high	95.2	Very high	93 Å²	93	30.4 Å²	30.4	65%	0.65	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-24.6	179.4	70.4	0	0	0	0	113.6	D231	D231-S233 VanDerWaalsContact CG-OG 3.28Å; D231-S233 PolarHBondContact O-N 2.98Å; D231-S233 WeakPolarHBondContact OD1-CB 3.25Å; D231-S233 PolarHBondContact OD1-N 3.24Å; D231-S233 VanDerWaalsContact OD1-N 3.07Å; D231-S233 PolarHBondContact OD1-OG 2.89Å; D231-S233 PolarHBondContact OD2-OG 3.45Å
234	I	94.4	Very high	95.5	Very high	54 Å²	54	32.5 Å²	32.5	28%	0.277	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136	-27.4	-172.8	55.8	166.4	0	0	0	113.9	D231 K378 G380	D231-I234 HydrophobicContact CB-CD1 4.48Å; D231-I234 HydrophobicContact CB-CG1 3.99Å; D231-I234 PolarHBondContact O-N 3.43Å; I234-K378 HydrophobicContact CD1-CD 3.9Å; I234-K378 HydrophobicContact CD1-CG 4.36Å; I234-G380 WeakPolarHBondContact O-CA 3.41Å
235	D	97.3	Very high	95.7	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.166	C	C	.	.			trans	-90.4	159.7	-173.7	-60	-25.3	0	0	0	112	R210 Y230 D231 W381 F383	R210-D235 IonicContact CZ-OD1 3.73Å; R210-D235 IonicContact CZ-OD2 2.77Å; R210-D235 IonicContact NH1-OD1 2.74Å; R210-D235 PolarHBondContact NH1-OD1 3.08Å; R210-D235 IonicContact NH1-OD2 3.88Å; R210-D235 IonicContact NH2-OD1 3.24Å; R210-D235 PolarHBondContact NH2-OD1 2.83Å; R210-D235 IonicContact NH2-OD2 3.28Å; R210-D235 PolarHBondContact NH2-OD2 2.81Å; Y230-D235 HydrophobicContact CD2-CB 3.8Å; Y230-D235 HydrophobicContact CE2-CB 3.86Å; D231-D235 PolarHBondContact N-OD2 2.72Å; D231-D235 VanDerWaalsContact O-CB 3.26Å; D231-D235 WeakPolarHBondContact O-CB 3.49Å; D231-D235 PolarHBondContact O-N 3.34Å; D235-W381 CarbonylContact C-O 3.15Å; D235-W381 VanDerWaalsContact CA-O 3.31Å; D235-W381 WeakPolarHBondContact CA-O 3.44Å; D235-W381 WeakPolarHBondContact CB-O 3.47Å; D235-W381 PolarHBondContact OD1-N 2.94Å; D235-F383 HydrophobicContact CB-CD2 4.34Å; D235-F383 HydrophobicContact CB-CE2 3.94Å
236	K	97.4	Very high	95.8	Very high	87 Å²	87	30.2 Å²	30.2	38%	0.378	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.4	179.6	-58.9	-62.7	175	-170.9	0	110.3	F364 W381 L382 F383	K236-F364 HydrophobicContact CB-CE2 4.31Å; K236-F364 HydrophobicContact CB-CZ 4.31Å; K236-F364 HydrophobicContact CD-CE2 4.5Å; K236-F364 HydrophobicContact CG-CD2 4.39Å; K236-F364 HydrophobicContact CG-CE2 3.84Å; K236-F364 HydrophobicContact CG-CZ 4.32Å; K236-W381 PolarHBondContact N-O 3.39Å; K236-L382 HydrophobicContact CB-CD1 3.87Å; K236-F383 PolarHBondContact O-N 3.43Å
237	I	97.5	Very high	95.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.6	174.3	-64.7	172.8	0	0	0	108.2	V226 Y230 N239 R244 C245 A246 F383	V226-I237 HydrophobicContact CG1-CD1 4Å; Y230-I237 HydrophobicContact CD1-CD1 4.07Å; Y230-I237 HydrophobicContact CD2-CD1 3.74Å; Y230-I237 HydrophobicContact CD2-CG1 3.8Å; Y230-I237 HydrophobicContact CE1-CD1 3.84Å; Y230-I237 HydrophobicContact CE2-CD1 3.53Å; Y230-I237 HydrophobicContact CE2-CG1 3.5Å; Y230-I237 HydrophobicContact CG-CD1 4Å; I237-N239 HydrophobicContact CG2-CB 4.15Å; I237-R244 HydrophobicContact CD1-CB 4.09Å; I237-C245 CarbonylContact O-C 3.53Å; I237-C245 WeakPolarHBondContact O-CA 3.31Å; I237-A246 PolarHBondContact O-N 3.03Å; I237-F383 CarbonylContact C-O 3.48Å; I237-F383 WeakPolarHBondContact CA-O 3.45Å; I237-F383 HydrophobicContact CG1-CB 4.26Å
238	L	97.9	Very high	96	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	102.6	167.4	-70.3	180	0	0	0	108.4	A246 W248 F364 I366 L382 F383 I384 S385 W401	L238-A246 HydrophobicContact CD2-CB 4.08Å; L238-W248 HydrophobicContact CD2-CB 3.9Å; L238-W248 HydrophobicContact CD2-CG 4.48Å; L238-F364 HydrophobicContact CD1-CE1 4.19Å; L238-F364 HydrophobicContact CD2-CD1 4.1Å; L238-F364 HydrophobicContact CD2-CE1 4.1Å; L238-F364 HydrophobicContact CG-CE1 4.34Å; L238-I366 HydrophobicContact CD1-CD1 3.73Å; L238-I366 HydrophobicContact CD1-CG1 3.98Å; L238-L382 HydrophobicContact CD1-CD1 3.84Å; L238-L382 HydrophobicContact CD1-CD2 4.23Å; L238-L382 HydrophobicContact CD1-CG 4.41Å; L238-L382 HydrophobicContact CG-CD1 3.84Å; L238-F383 PolarHBondContact N-O 2.98Å; L238-I384 HydrophobicContact CD1-CG1 4.42Å; L238-S385 PolarHBondContact O-N 3.32Å; L238-W401 HydrophobicContact CB-CD2 4.09Å; L238-W401 HydrophobicContact CB-CE3 3.66Å; L238-W401 HydrophobicContact CB-CH2 3.92Å; L238-W401 HydrophobicContact CB-CZ2 4.37Å; L238-W401 HydrophobicContact CB-CZ3 3.58Å; L238-W401 HydrophobicContact CD1-CB 4.24Å; L238-W401 HydrophobicContact CD1-CD2 3.94Å; L238-W401 HydrophobicContact CD1-CE3 4.31Å; L238-W401 HydrophobicContact CD1-CG 3.95Å; L238-W401 HydrophobicContact CD2-CH2 4.37Å; L238-W401 HydrophobicContact CD2-CZ2 4.16Å; L238-W401 HydrophobicContact CG-CD2 4.49Å
239	N	96.5	Very high	96.2	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.161	C	C	.	.			trans	-155.9	111.3	172.9	176.1	-19.1	0	0	0	107.1	I237 L241 D242 C245 S385	I237-N239 HydrophobicContact CG2-CB 4.15Å; N239-L241 PolarHBondContact O-N 3.18Å; N239-L241 PolarHBondContact OD1-N 3.39Å; N239-L241 VanDerWaalsContact OD1-N 3.07Å; N239-D242 HydrophobicContact CB-CB 3.8Å; N239-D242 PolarHBondContact O-N 3.12Å; N239-C245 PolarHBondContact N-SG 2.92Å; N239-C245 WeakPolarHBondContact O-CB 3.19Å; N239-C245 PolarHBondContact O-SG 3.34Å; N239-C245 VanDerWaalsContact O-SG 3.36Å; N239-S385 WeakPolarHBondContact CB-O 3.15Å; N239-S385 WeakPolarHBondContact CB-OG 3.33Å; N239-S385 PolarHBondContact ND2-O 3.37Å; N239-S385 PolarHBondContact ND2-OG 2.95Å
240	P	95	Very high	96.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.8	-171.6	-24.4	36.1	0	0	0	114.6	Y353 L354 L394 V397 W401 R575	P240-Y353 VanDerWaalsContact CB-O 3.24Å; P240-Y353 WeakPolarHBondContact CB-O 3.26Å; P240-L354 HydrophobicContact CB-CD2 3.92Å; P240-L354 HydrophobicContact CG-CD2 3.65Å; P240-L354 HydrophobicContact CG-CG 4.39Å; P240-L394 HydrophobicContact CB-CD2 4.13Å; P240-L394 HydrophobicContact CG-CD2 3.9Å; P240-V397 HydrophobicContact CG-CG1 4.18Å; P240-W401 HydrophobicContact CG-CH2 3.6Å; P240-W401 HydrophobicContact CG-CZ2 4.5Å; P240-W401 HydrophobicContact CG-CZ3 4.05Å; P240-R575 VanDerWaalsContact O-CZ 3.29Å; P240-R575 PolarHBondContact O-NE 3.05Å; P240-R575 PolarHBondContact O-NH2 3.24Å
241	L	94.6	Very high	96.2	Very high	21 Å²	21	26.2 Å²	26.2	11%	0.11	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-3.3	-178.9	-56.2	-179	0	0	0	113.1	N239 Y353 T390 L394 F572 R575 I577	N239-L241 PolarHBondContact O-N 3.18Å; N239-L241 PolarHBondContact OD1-N 3.39Å; N239-L241 VanDerWaalsContact OD1-N 3.07Å; L241-Y353 HydrophobicContact CD2-CD1 3.69Å; L241-Y353 HydrophobicContact CD2-CE1 4.43Å; L241-Y353 HydrophobicContact CD2-CG 4.08Å; L241-T390 HydrophobicContact CD1-CG2 3.39Å; L241-L394 HydrophobicContact CD1-CD1 3.92Å; L241-L394 HydrophobicContact CD1-CD2 4.37Å; L241-L394 HydrophobicContact CD1-CG 4.37Å; L241-L394 HydrophobicContact CG-CD1 4.08Å; L241-L394 HydrophobicContact CG-CD2 4.28Å; L241-F572 VanDerWaalsContact C-CE2 3.48Å; L241-F572 HydrophobicContact CB-CE2 4.06Å; L241-F572 HydrophobicContact CB-CZ 3.95Å; L241-F572 VanDerWaalsContact O-CE2 3.24Å; L241-F572 WeakPolarHBondContact O-CE2 3.22Å; L241-F572 WeakPolarHBondContact O-CZ 3.31Å; L241-R575 VanDerWaalsContact O-CB 3.31Å; L241-R575 WeakPolarHBondContact O-CB 3.46Å; L241-R575 PolarHBondContact O-N 3.23Å; L241-I577 HydrophobicContact CD2-CD1 3.37Å
242	D	94.9	Very high	96.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-91.2	132	176.4	-163.1	-62.2	0	0	0	110.5	N239 R244 C245 F572 I573	N239-D242 HydrophobicContact CB-CB 3.8Å; N239-D242 PolarHBondContact O-N 3.12Å; D242-R244 PolarHBondContact O-N 3.07Å; D242-R244 VanDerWaalsContact O-N 3.11Å; D242-R244 VanDerWaalsContact OD1-CB 3.26Å; D242-R244 WeakPolarHBondContact OD1-CB 3.45Å; D242-R244 WeakPolarHBondContact OD1-CG 3.36Å; D242-R244 IonicContact OD1-CZ 3.79Å; D242-R244 PolarHBondContact OD1-N 2.95Å; D242-R244 IonicContact OD1-NE 2.82Å; D242-R244 PolarHBondContact OD1-NE 3.44Å; D242-R244 IonicContact OD1-NH2 3.82Å; D242-R244 IonicContact OD2-CZ 2.8Å; D242-R244 IonicContact OD2-NE 3.64Å; D242-R244 IonicContact OD2-NH2 3.56Å; D242-R244 PolarHBondContact OD2-NH2 2.79Å; D242-C245 WeakPolarHBondContact O-CB 3.19Å; D242-C245 PolarHBondContact O-N 3.48Å; D242-F572 HydrophobicContact CB-CD2 4.05Å; D242-F572 HydrophobicContact CB-CE2 3.96Å; D242-I573 CarbonylContact C-O 3.56Å; D242-I573 VanDerWaalsContact CA-O 3.27Å; D242-I573 WeakPolarHBondContact CA-O 3.37Å; D242-I573 PolarHBondContact OD2-N 3.42Å
243	A	94.6	Very high	96.3	Very high	48 Å²	48	24.2 Å²	24.2	40%	0.397	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-22.8	178.7	0	0	0	0	0	112.8	C245 I573 R575	A243-C245 VanDerWaalsContact C-N 3.33Å; A243-I573 HydrophobicContact CB-CB 4.23Å; A243-I573 HydrophobicContact CB-CG2 3.78Å; A243-I573 PolarHBondContact N-O 3.12Å; A243-R575 HydrophobicContact CB-CB 4.49Å
244	R	95.4	Very high	96.4	Very high	47 Å²	47	19.9 Å²	19.9	18%	0.177	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	4.9	178.2	-56	166.2	-69.9	-177.1	1.3	113.2	I237 D242 A246 P570 E571 I573	I237-R244 HydrophobicContact CD1-CB 4.09Å; D242-R244 PolarHBondContact O-N 3.07Å; D242-R244 VanDerWaalsContact O-N 3.11Å; D242-R244 VanDerWaalsContact OD1-CB 3.26Å; D242-R244 WeakPolarHBondContact OD1-CB 3.45Å; D242-R244 WeakPolarHBondContact OD1-CG 3.36Å; D242-R244 IonicContact OD1-CZ 3.79Å; D242-R244 PolarHBondContact OD1-N 2.95Å; D242-R244 IonicContact OD1-NE 2.82Å; D242-R244 PolarHBondContact OD1-NE 3.44Å; D242-R244 IonicContact OD1-NH2 3.82Å; D242-R244 IonicContact OD2-CZ 2.8Å; D242-R244 IonicContact OD2-NE 3.64Å; D242-R244 IonicContact OD2-NH2 3.56Å; D242-R244 PolarHBondContact OD2-NH2 2.79Å; R244-A246 PolarHBondContact O-N 3.25Å; R244-P570 PolarHBondContact NH1-O 3.37Å; R244-P570 PolarHBondContact NH2-O 3.46Å; R244-P570 VanDerWaalsContact NH2-O 3.13Å; R244-E571 PolarHBondContact NH2-O 3.26Å; R244-I573 HydrophobicContact CG-CD1 4.15Å
245	C	96.6	Very high	96.4	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.02	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-57.1	127.8	179.7	-169.7	0	0	0	0	110.8	I237 N239 D242 A243 N360	I237-C245 CarbonylContact O-C 3.53Å; I237-C245 WeakPolarHBondContact O-CA 3.31Å; N239-C245 PolarHBondContact N-SG 2.92Å; N239-C245 WeakPolarHBondContact O-CB 3.19Å; N239-C245 PolarHBondContact O-SG 3.34Å; N239-C245 VanDerWaalsContact O-SG 3.36Å; D242-C245 WeakPolarHBondContact O-CB 3.19Å; D242-C245 PolarHBondContact O-N 3.48Å; A243-C245 VanDerWaalsContact C-N 3.33Å; C245-N360 PolarHBondContact O-ND2 3.34Å
246	A	97.3	Very high	96.4	Very high	14 Å²	14	23.9 Å²	23.9	12%	0.116	13%	0.126	C	C	.	.			trans	-59.4	147.4	171.7	0	0	0	0	0	110.2	I237 L238 R244 W248 F364	I237-A246 PolarHBondContact O-N 3.03Å; L238-A246 HydrophobicContact CD2-CB 4.08Å; R244-A246 PolarHBondContact O-N 3.25Å; A246-W248 PolarHBondContact O-N 2.77Å; A246-F364 HydrophobicContact CB-CB 3.93Å; A246-F364 HydrophobicContact CB-CD1 3.81Å; A246-F364 HydrophobicContact CB-CD2 4.46Å; A246-F364 HydrophobicContact CB-CE1 4.47Å; A246-F364 HydrophobicContact CB-CG 3.8Å
247	A	96.7	Very high	96.3	Very high	5 Å²	5	21.5 Å²	21.5	4%	0.041	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	62.9	178.6	0	0	0	0	0	111.2	D249 I357 N360 P363 F364	A247-D249 PolarHBondContact O-N 2.85Å; A247-I357 VanDerWaalsContact CA-O 3.29Å; A247-I357 WeakPolarHBondContact CA-O 3.46Å; A247-I357 WeakPolarHBondContact CB-O 3.5Å; A247-N360 HydrophobicContact CB-CB 4.18Å; A247-P363 WeakPolarHBondContact O-CA 3.21Å; A247-F364 PolarHBondContact O-N 3.29Å
248	W	97.9	Very high	96.2	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	126.2	-178	-178.6	74	0	0	0	110.5	L238 A246 L250 E253 Y301 L354 I357 F364 M400 W401 I404	L238-W248 HydrophobicContact CD2-CB 3.9Å; L238-W248 HydrophobicContact CD2-CG 4.48Å; A246-W248 PolarHBondContact O-N 2.77Å; W248-L250 HydrophobicContact CH2-CB 3.76Å; W248-L250 HydrophobicContact CH2-CD1 3.63Å; W248-L250 HydrophobicContact CH2-CG 4.27Å; W248-L250 HydrophobicContact CZ2-CB 4.44Å; W248-L250 HydrophobicContact CZ2-CD1 4.3Å; W248-L250 HydrophobicContact CZ3-CB 3.85Å; W248-L250 HydrophobicContact CZ3-CD1 4.42Å; W248-E253 HydrophobicContact CZ2-CB 4.04Å; W248-E253 HydrophobicContact CZ2-CG 3.97Å; W248-E253 PolarHBondContact NE1-OE2 3.23Å; W248-Y301 HydrophobicContact CZ3-CE1 4.2Å; W248-Y301 WeakPolarHBondContact CZ3-OH 3.36Å; W248-Y301 PolarHBondContact O-OH 3.46Å; W248-L354 HydrophobicContact CE3-CD1 4.26Å; W248-L354 HydrophobicContact CZ3-CD1 4.05Å; W248-I357 HydrophobicContact CB-CD1 4.36Å; W248-F364 VanDerWaalsContact CA-O 3.29Å; W248-F364 WeakPolarHBondContact CA-O 3.05Å; W248-F364 HydrophobicContact CB-CD1 4.41Å; W248-M400 HydrophobicContact CH2-CE 3.36Å; W248-M400 HydrophobicContact CH2-SD 4.42Å; W248-M400 HydrophobicContact CZ2-CE 4.2Å; W248-M400 HydrophobicContact CZ3-CE 3.67Å; W248-W401 HydrophobicContact CB-CZ2 4.47Å; W248-W401 AromaticContact CD2-CD1 3.92Å; W248-W401 AromaticContact CD2-NE1 3.13Å; W248-W401 AromaticContact CE2-CD1 3.76Å; W248-W401 AromaticContact CE2-NE1 3.45Å; W248-W401 HydrophobicContact CE3-CZ2 4.27Å; W248-W401 AromaticContact CE3-NE1 3.24Å; W248-W401 AromaticContact CG-NE1 3.62Å; W248-W401 AromaticContact CH2-NE1 3.95Å; W248-W401 AromaticContact CZ2-CD1 3.99Å; W248-W401 AromaticContact CZ2-NE1 3.86Å; W248-W401 AromaticContact CZ3-NE1 3.67Å; W248-I404 HydrophobicContact CH2-CD1 4.49Å; W248-I404 HydrophobicContact CZ2-CD1 3.75Å
249	D	97.1	Very high	96.1	Very high	22 Å²	22	27.1 Å²	27.1	12%	0.118	15%	0.151	C	C	.	.			trans	-114.3	103.4	-176.6	-179.2	-24.3	0	0	0	110.2	A247 W251 K252 E253 R299 P363 F364	A247-D249 PolarHBondContact O-N 2.85Å; D249-W251 PolarHBondContact O-N 3.5Å; D249-W251 WeakPolarHBondContact OD1-CA 3.08Å; D249-W251 WeakPolarHBondContact OD1-CB 3.43Å; D249-W251 PolarHBondContact OD1-N 2.91Å; D249-K252 HydrophobicContact CB-CB 4.04Å; D249-K252 HydrophobicContact CB-CD 4.3Å; D249-K252 HydrophobicContact CB-CG 4.29Å; D249-K252 PolarHBondContact O-N 3.04Å; D249-K252 VanDerWaalsContact O-N 3.13Å; D249-K252 PolarHBondContact OD1-N 3.25Å; D249-K252 WeakPolarHBondContact OD2-CD 3.48Å; D249-K252 VanDerWaalsContact OD2-CG 3.32Å; D249-K252 WeakPolarHBondContact OD2-CG 3.18Å; D249-E253 WeakPolarHBondContact O-CB 3.12Å; D249-E253 PolarHBondContact O-N 3.13Å; D249-R299 IonicContact OD1-NH2 3.58Å; D249-R299 PolarHBondContact OD1-NH2 2.81Å; D249-R299 IonicContact OD2-NH2 3.2Å; D249-R299 PolarHBondContact OD2-NH2 3.13Å; D249-R299 VanDerWaalsContact OD2-NH2 3.16Å; D249-P363 HydrophobicContact CB-CB 4.29Å; D249-F364 PolarHBondContact N-O 2.96Å
250	L	97.2	Very high	96.1	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-50.6	-40.8	177.6	171.9	65.5	0	0	0	113	W248 E253 C254 F260 T263 F286 A290 Y301 L304	W248-L250 HydrophobicContact CH2-CB 3.76Å; W248-L250 HydrophobicContact CH2-CD1 3.63Å; W248-L250 HydrophobicContact CH2-CG 4.27Å; W248-L250 HydrophobicContact CZ2-CB 4.44Å; W248-L250 HydrophobicContact CZ2-CD1 4.3Å; W248-L250 HydrophobicContact CZ3-CB 3.85Å; W248-L250 HydrophobicContact CZ3-CD1 4.42Å; L250-E253 PolarHBondContact O-N 2.96Å; L250-C254 WeakPolarHBondContact O-CB 3.37Å; L250-C254 PolarHBondContact O-N 2.8Å; L250-F260 HydrophobicContact CD1-CE1 4.36Å; L250-F260 HydrophobicContact CD2-CE1 4.48Å; L250-F260 HydrophobicContact CG-CE1 4.09Å; L250-T263 HydrophobicContact CD1-CG2 4.13Å; L250-F286 HydrophobicContact CD2-CZ 4.24Å; L250-A290 HydrophobicContact CD2-CB 4.2Å; L250-Y301 HydrophobicContact CB-CE1 3.85Å; L250-Y301 HydrophobicContact CD2-CE1 4.44Å; L250-Y301 PolarHBondContact N-OH 3.02Å; L250-L304 HydrophobicContact CD2-CD2 3.81Å
251	W	97.2	Very high	96.2	Very high	6 Å²	6	29.9 Å²	29.9	2%	0.023	17%	0.165	C	C	.	.	H	α-helix	trans	-81.7	-20.1	-175.2	-59.7	-81.6	0	0	0	113.3	D249 A290 M293 R294 R299 S300 Y301 L304	D249-W251 PolarHBondContact O-N 3.5Å; D249-W251 WeakPolarHBondContact OD1-CA 3.08Å; D249-W251 WeakPolarHBondContact OD1-CB 3.43Å; D249-W251 PolarHBondContact OD1-N 2.91Å; W251-A290 VanDerWaalsContact CD1-O 3.29Å; W251-A290 PolarHBondContact NE1-O 3.39Å; W251-M293 HydrophobicContact CZ2-CG 4.23Å; W251-M293 HydrophobicContact CZ2-SD 3.94Å; W251-R294 HydrophobicContact CB-CG 4.39Å; W251-R294 VanDerWaalsContact CD1-CA 3.5Å; W251-R299 VanDerWaalsContact CB-NH1 3.34Å; W251-R299 HydrophobicContact CD2-CG 4.31Å; W251-R299 HydrophobicContact CE3-CG 4.21Å; W251-R299 HydrophobicContact CH2-CB 4.43Å; W251-R299 HydrophobicContact CZ2-CB 4.23Å; W251-R299 HydrophobicContact CZ3-CG 4.4Å; W251-S300 VanDerWaalsContact CH2-C 3.45Å; W251-Y301 HydrophobicContact CH2-CD1 4.34Å; W251-Y301 HydrophobicContact CH2-CE1 4.5Å; W251-Y301 HydrophobicContact CZ3-CE1 4.37Å; W251-L304 HydrophobicContact CZ2-CB 4.35Å; W251-L304 HydrophobicContact CZ2-CD2 4.29Å
252	K	95.9	Very high	96.1	Very high	93 Å²	93	31.2 Å²	31.2	40%	0.404	17%	0.173	S	C	.	.	H	α-helix	trans	-86	-28.5	167.5	-71.6	-176.7	-176.6	-169.9	0	111.7	D249 L255 P363 T365 R367	D249-K252 HydrophobicContact CB-CB 4.04Å; D249-K252 HydrophobicContact CB-CD 4.3Å; D249-K252 HydrophobicContact CB-CG 4.29Å; D249-K252 PolarHBondContact O-N 3.04Å; D249-K252 VanDerWaalsContact O-N 3.13Å; D249-K252 PolarHBondContact OD1-N 3.25Å; D249-K252 WeakPolarHBondContact OD2-CD 3.48Å; D249-K252 VanDerWaalsContact OD2-CG 3.32Å; D249-K252 WeakPolarHBondContact OD2-CG 3.18Å; K252-L255 WeakPolarHBondContact O-CD2 3.27Å; K252-P363 HydrophobicContact CD-CB 3.87Å; K252-T365 HydrophobicContact CB-CG2 3.62Å; K252-R367 VanDerWaalsContact O-CZ 3.32Å; K252-R367 PolarHBondContact O-NH1 3.48Å; K252-R367 PolarHBondContact O-NH2 2.91Å
253	E	97	Very high	96.1	Very high	11 Å²	11	31.5 Å²	31.5	5%	0.051	17%	0.174	C	C	.	.	H	α-helix	trans	-67.6	-45	172.8	-169.5	73.4	-120.1	0	0	111.7	W248 D249 L250 T365 I366 R367 I404	W248-E253 HydrophobicContact CZ2-CB 4.04Å; W248-E253 HydrophobicContact CZ2-CG 3.97Å; W248-E253 PolarHBondContact NE1-OE2 3.23Å; D249-E253 WeakPolarHBondContact O-CB 3.12Å; D249-E253 PolarHBondContact O-N 3.13Å; L250-E253 PolarHBondContact O-N 2.96Å; E253-T365 HydrophobicContact CB-CG2 4.44Å; E253-T365 WeakPolarHBondContact OE2-CA 3.38Å; E253-T365 WeakPolarHBondContact OE2-CB 3.34Å; E253-I366 PolarHBondContact OE2-N 3.15Å; E253-R367 VanDerWaalsContact C-NH1 3.31Å; E253-R367 PolarHBondContact O-NH1 3.4Å; E253-R367 WeakPolarHBondContact OE1-CB 3.32Å; E253-R367 PolarHBondContact OE1-N 2.81Å; E253-I404 HydrophobicContact CG-CD1 4.18Å; E253-I404 HydrophobicContact CG-CG2 3.97Å; E253-I404 WeakPolarHBondContact OE1-CG2 3.43Å
254	C	96.7	Very high	96.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.007	16%	0.155	C	C	.	.			trans	-96.5	108.5	-179.3	-61	0	0	0	0	110.8	L250 D259 F260 T263 R294	L250-C254 WeakPolarHBondContact O-CB 3.37Å; L250-C254 PolarHBondContact O-N 2.8Å; C254-D259 HydrophobicContact CB-CB 3.64Å; C254-F260 HydrophobicContact CB-CD1 3.88Å; C254-F260 HydrophobicContact CB-CD2 3.63Å; C254-F260 HydrophobicContact CB-CE1 3.72Å; C254-F260 HydrophobicContact CB-CE2 3.43Å; C254-F260 VanDerWaalsContact CB-CE2 3.43Å; C254-F260 HydrophobicContact CB-CG 3.85Å; C254-F260 HydrophobicContact CB-CZ 3.49Å; C254-F260 VanDerWaalsContact CB-CZ 3.49Å; C254-T263 PolarHBondContact SG-OG1 3.44Å; C254-R294 PolarHBondContact O-NH1 3.11Å
255	L	94.4	Very high	96.1	Very high	75 Å²	75	29.5 Å²	29.5	39%	0.393	16%	0.16	S	C	.	.			trans	-91.8	-18.3	-177.2	-59.2	-176.4	0	0	0	113.7	K252 D259 R294	K252-L255 WeakPolarHBondContact O-CD2 3.27Å; L255-D259 WeakPolarHBondContact CA-OD2 3.26Å; L255-D259 PolarHBondContact N-OD2 3.43Å; L255-R294 PolarHBondContact O-NH1 3.02Å; L255-R294 PolarHBondContact O-NH2 3.19Å
256	T	96.1	Very high	95.9	Very high	65 Å²	65	29.4 Å²	29.4	40%	0.399	16%	0.16	S	C	.	.	S	Bend	trans	-138.4	163.9	-175.2	65.2	0	0	0	0	110.3	D259 F260	T256-D259 PolarHBondContact N-OD2 3.48Å; T256-D259 WeakPolarHBondContact O-CB 3.47Å; T256-D259 PolarHBondContact O-N 2.89Å; T256-D259 VanDerWaalsContact O-N 3.1Å; T256-D259 VanDerWaalsContact OG1-CG 3.25Å; T256-D259 PolarHBondContact OG1-OD2 3.34Å; T256-F260 WeakPolarHBondContact O-CD2 3.44Å
257	Q	95.8	Very high	95.8	Very high	37 Å²	37	28.7 Å²	28.7	17%	0.173	15%	0.154	C	C	.	.	H	α-helix	trans	-55.5	-45.3	175.4	-178.1	64.9	43.7	0	0	112.1	D259 F260 D261 Y291	Q257-D259 PolarHBondContact O-N 2.85Å; Q257-D259 VanDerWaalsContact O-N 3.13Å; Q257-F260 WeakPolarHBondContact O-CB 3.46Å; Q257-F260 PolarHBondContact O-N 3.48Å; Q257-D261 PolarHBondContact NE2-OD1 3.04Å; Q257-D261 PolarHBondContact O-N 2.82Å; Q257-Y291 HydrophobicContact CB-CD2 4.39Å; Q257-Y291 HydrophobicContact CB-CE2 4.35Å
258	P	95.8	Very high	95.7	Very high	72 Å²	72	28.5 Å²	28.5	47%	0.468	15%	0.152	S	C	.	.	H	α-helix	trans	-55.7	-30.7	174.4	-29.6	36.7	0	0	0	114.9	F260 D261 N262	P258-F260 VanDerWaalsContact C-N 3.34Å; P258-D261 PolarHBondContact O-N 2.96Å; P258-N262 WeakPolarHBondContact O-CB 3.41Å; P258-N262 PolarHBondContact O-N 2.87Å; P258-N262 PolarHBondContact O-ND2 2.74Å
259	D	95.6	Very high	95.4	Very high	47 Å²	47	29 Å²	29	25%	0.251	16%	0.156	S	C	.	.	H	α-helix	trans	-66.7	-38.5	176.6	-59.7	-45.2	0	0	0	111.4	C254 L255 T256 Q257 T263	C254-D259 HydrophobicContact CB-CB 3.64Å; L255-D259 WeakPolarHBondContact CA-OD2 3.26Å; L255-D259 PolarHBondContact N-OD2 3.43Å; T256-D259 PolarHBondContact N-OD2 3.48Å; T256-D259 WeakPolarHBondContact O-CB 3.47Å; T256-D259 PolarHBondContact O-N 2.89Å; T256-D259 VanDerWaalsContact O-N 3.1Å; T256-D259 VanDerWaalsContact OG1-CG 3.25Å; T256-D259 PolarHBondContact OG1-OD2 3.34Å; Q257-D259 PolarHBondContact O-N 2.85Å; Q257-D259 VanDerWaalsContact O-N 3.13Å; D259-T263 WeakPolarHBondContact O-CB 3.48Å; D259-T263 PolarHBondContact O-N 2.78Å; D259-T263 PolarHBondContact O-OG1 2.79Å
260	F	97	Very high	95	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-69.2	-44.9	174.9	-72.4	-81.5	0	0	0	111.5	L250 C254 T256 Q257 P258 N262 T263 A264 A287 A290 Y291	L250-F260 HydrophobicContact CD1-CE1 4.36Å; L250-F260 HydrophobicContact CD2-CE1 4.48Å; L250-F260 HydrophobicContact CG-CE1 4.09Å; C254-F260 HydrophobicContact CB-CD1 3.88Å; C254-F260 HydrophobicContact CB-CD2 3.63Å; C254-F260 HydrophobicContact CB-CE1 3.72Å; C254-F260 HydrophobicContact CB-CE2 3.43Å; C254-F260 VanDerWaalsContact CB-CE2 3.43Å; C254-F260 HydrophobicContact CB-CG 3.85Å; C254-F260 HydrophobicContact CB-CZ 3.49Å; C254-F260 VanDerWaalsContact CB-CZ 3.49Å; T256-F260 WeakPolarHBondContact O-CD2 3.44Å; Q257-F260 WeakPolarHBondContact O-CB 3.46Å; Q257-F260 PolarHBondContact O-N 3.48Å; P258-F260 VanDerWaalsContact C-N 3.34Å; F260-N262 VanDerWaalsContact C-N 3.28Å; F260-N262 PolarHBondContact O-N 3.06Å; F260-T263 PolarHBondContact O-N 2.83Å; F260-A264 WeakPolarHBondContact O-CB 3.33Å; F260-A264 PolarHBondContact O-N 3.12Å; F260-A287 HydrophobicContact CB-CB 4.05Å; F260-A290 HydrophobicContact CD1-CB 3.58Å; F260-A290 HydrophobicContact CE1-CB 3.68Å; F260-Y291 AromaticContact CD2-CD2 3.76Å; F260-Y291 HydrophobicContact CD2-CD2 3.76Å; F260-Y291 HydrophobicContact CD2-CG 4.37Å; F260-Y291 AromaticContact CE2-CD2 3.73Å; F260-Y291 HydrophobicContact CE2-CD2 3.73Å; F260-Y291 HydrophobicContact CE2-CG 4.46Å
261	D	95.8	Very high	94.1	Very high	59 Å²	59	33.2 Å²	33.2	32%	0.316	19%	0.186	S	C	.	.	H	α-helix	trans	-58	-45.5	178.5	-60	-31	0	0	0	110.9	Q257 P258 A264 N265 A287	Q257-D261 PolarHBondContact NE2-OD1 3.04Å; Q257-D261 PolarHBondContact O-N 2.82Å; P258-D261 PolarHBondContact O-N 2.96Å; D261-A264 WeakPolarHBondContact O-CB 3.41Å; D261-A264 PolarHBondContact O-N 3.45Å; D261-N265 PolarHBondContact O-N 2.85Å; D261-A287 VanDerWaalsContact OD1-CB 3.27Å; D261-A287 WeakPolarHBondContact OD1-CB 3.48Å
262	N	93.4	Very high	92.9	Very high	49 Å²	49	38 Å²	38	26%	0.262	22%	0.215	S	C	.	.	H	α-helix	trans	-65.7	-39.9	177.6	-82.5	-28.8	0	0	0	113.6	P258 F260 A264 N265 R407	P258-N262 WeakPolarHBondContact O-CB 3.41Å; P258-N262 PolarHBondContact O-N 2.87Å; P258-N262 PolarHBondContact O-ND2 2.74Å; F260-N262 VanDerWaalsContact C-N 3.28Å; F260-N262 PolarHBondContact O-N 3.06Å; N262-A264 VanDerWaalsContact C-N 3.27Å; N262-A264 PolarHBondContact O-N 3.38Å; N262-N265 WeakPolarHBondContact O-CB 3.42Å; N262-N265 PolarHBondContact O-N 2.99Å; N262-R407 VanDerWaalsContact CB-CZ 3.44Å; N262-R407 VanDerWaalsContact CB-NH2 3.28Å; N262-R407 VanDerWaalsContact CG-CZ 3.47Å; N262-R407 PolarHBondContact ND2-NH1 2.91Å
263	T	94.9	Very high	92	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-37.9	176	-62.7	0	0	0	0	110.3	L250 C254 D259 F260 N265 T266 L267 M400 I404	L250-T263 HydrophobicContact CD1-CG2 4.13Å; C254-T263 PolarHBondContact SG-OG1 3.44Å; D259-T263 WeakPolarHBondContact O-CB 3.48Å; D259-T263 PolarHBondContact O-N 2.78Å; D259-T263 PolarHBondContact O-OG1 2.79Å; F260-T263 PolarHBondContact O-N 2.83Å; T263-N265 VanDerWaalsContact C-N 3.34Å; T263-N265 PolarHBondContact O-N 3.29Å; T263-T266 PolarHBondContact O-N 3.11Å; T263-L267 WeakPolarHBondContact O-CB 3.46Å; T263-L267 PolarHBondContact O-N 3.06Å; T263-L267 VanDerWaalsContact O-N 3.12Å; T263-M400 HydrophobicContact CG2-CG 3.47Å; T263-M400 VanDerWaalsContact CG2-CG 3.47Å; T263-M400 HydrophobicContact CG2-SD 3.26Å; T263-M400 WeakPolarHBondContact CG2-SD 3.35Å; T263-I404 HydrophobicContact CG2-CD1 4.41Å
264	A	95.7	Very high	91.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-38.3	175	0	0	0	0	0	112.4	F260 D261 N262 T266 L267 I268 R283 F286 A287	F260-A264 WeakPolarHBondContact O-CB 3.33Å; F260-A264 PolarHBondContact O-N 3.12Å; D261-A264 WeakPolarHBondContact O-CB 3.41Å; D261-A264 PolarHBondContact O-N 3.45Å; N262-A264 VanDerWaalsContact C-N 3.27Å; N262-A264 PolarHBondContact O-N 3.38Å; A264-T266 PolarHBondContact O-N 3.25Å; A264-L267 PolarHBondContact O-N 3.33Å; A264-I268 PolarHBondContact O-N 3.06Å; A264-R283 HydrophobicContact CB-CB 3.92Å; A264-R283 HydrophobicContact CB-CG 4.15Å; A264-F286 HydrophobicContact CB-CD1 3.71Å; A264-F286 HydrophobicContact CB-CE1 4.42Å; A264-A287 HydrophobicContact CB-CB 4.3Å
265	N	93.6	Very high	90.6	Very high	53 Å²	53	51.7 Å²	51.7	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-57.2	-34.4	-179.3	-74.4	-25.3	0	0	0	113.6	D261 N262 T263 R283	D261-N265 PolarHBondContact O-N 2.85Å; N262-N265 WeakPolarHBondContact O-CB 3.42Å; N262-N265 PolarHBondContact O-N 2.99Å; T263-N265 VanDerWaalsContact C-N 3.34Å; T263-N265 PolarHBondContact O-N 3.29Å; N265-R283 PolarHBondContact O-NH2 3.01Å; N265-R283 WeakPolarHBondContact OD1-CD 3.47Å; N265-R283 PolarHBondContact OD1-NH1 3.37Å
266	T	93.1	Very high	90.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-93	-34.5	178.8	-53.2	0	0	0	0	112.7	T263 A264 I268 S399 S403 L433	T263-T266 PolarHBondContact O-N 3.11Å; A264-T266 PolarHBondContact O-N 3.25Å; T266-I268 VanDerWaalsContact C-N 3.27Å; T266-I268 PolarHBondContact O-N 2.81Å; T266-S399 WeakPolarHBondContact CG2-O 3.42Å; T266-S403 WeakPolarHBondContact OG1-CB 3.18Å; T266-S403 PolarHBondContact OG1-OG 3.22Å; T266-L433 HydrophobicContact CG2-CD2 3.51Å
267	L	95.4	Very high	90.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.5	-42.1	174.9	-178.9	69.4	0	0	0	111.3	T263 A264 P269 F286 V348 I351 P396 V397 M400	T263-L267 WeakPolarHBondContact O-CB 3.46Å; T263-L267 PolarHBondContact O-N 3.06Å; T263-L267 VanDerWaalsContact O-N 3.12Å; A264-L267 PolarHBondContact O-N 3.33Å; L267-P269 WeakPolarHBondContact O-CD 3.41Å; L267-F286 HydrophobicContact CD2-CD1 4Å; L267-F286 HydrophobicContact CD2-CD2 3.97Å; L267-F286 HydrophobicContact CD2-CE1 3.73Å; L267-F286 HydrophobicContact CD2-CE2 3.72Å; L267-F286 HydrophobicContact CD2-CG 4.11Å; L267-F286 HydrophobicContact CD2-CZ 3.58Å; L267-V348 HydrophobicContact CD2-CG2 4.18Å; L267-I351 HydrophobicContact CD1-CD1 4.32Å; L267-I351 HydrophobicContact CD1-CG1 4.35Å; L267-I351 HydrophobicContact CD2-CD1 3.63Å; L267-I351 HydrophobicContact CD2-CG1 4.49Å; L267-P396 HydrophobicContact CD1-CB 3.74Å; L267-V397 HydrophobicContact CD1-CG2 4.47Å; L267-M400 HydrophobicContact CB-SD 4.23Å; L267-M400 HydrophobicContact CD1-SD 4.15Å
268	I	95	Very high	90.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.29	C	S	.	.	S	Bend	trans	-115.8	87	-179	-54.1	177.4	0	0	0	107.1	A264 T266 Q279 R283 F286 L344 Y347	A264-I268 PolarHBondContact O-N 3.06Å; T266-I268 VanDerWaalsContact C-N 3.27Å; T266-I268 PolarHBondContact O-N 2.81Å; I268-Q279 HydrophobicContact CG2-CB 3.93Å; I268-Q279 HydrophobicContact CG2-CG 4.37Å; I268-R283 HydrophobicContact CB-CG 3.86Å; I268-R283 HydrophobicContact CD1-CG 4.32Å; I268-R283 HydrophobicContact CG2-CG 4.2Å; I268-R283 PolarHBondContact O-NE 3.48Å; I268-R283 PolarHBondContact O-NH2 3.04Å; I268-F286 HydrophobicContact CD1-CB 4.36Å; I268-L344 HydrophobicContact CD1-CD1 3.75Å; I268-Y347 HydrophobicContact CB-CD2 4.27Å; I268-Y347 HydrophobicContact CB-CG 4.42Å; I268-Y347 HydrophobicContact CG1-CD2 4.27Å; I268-Y347 HydrophobicContact CG1-CG 4.24Å; I268-Y347 HydrophobicContact CG2-CD2 3.67Å; I268-Y347 HydrophobicContact CG2-CE2 3.94Å; I268-Y347 HydrophobicContact CG2-CG 4.3Å
269	P	91.6	Very high	90	Very high	13 Å²	13	51.6 Å²	51.6	8%	0.084	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-65.3	152	-179.2	30.1	-38.3	0	0	0	111.7	L267 Y347 H431	L267-P269 WeakPolarHBondContact O-CD 3.41Å; P269-Y347 VanDerWaalsContact CD-CE1 3.5Å; P269-Y347 HydrophobicContact CG-CD1 4.47Å; P269-Y347 HydrophobicContact CG-CE1 3.77Å; P269-H431 HydrophobicContact CB-CB 4.09Å; P269-H431 HydrophobicContact CG-CB 4.06Å
270	M	87.5	Confident	90	Very high	74 Å²	74	50.2 Å²	50.2	37%	0.365	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-92	126.5	168.6	-82.5	169.1	174.9	0	0	108.7	P276 Q279 R283	M270-P276 HydrophobicContact CE-CB 4.38Å; M270-Q279 HydrophobicContact CG-CB 4.24Å; M270-R283 VanDerWaalsContact N-NH2 3.18Å; M270-R283 PolarHBondContact SD-NH1 3.38Å; M270-R283 VanDerWaalsContact SD-NH1 3.37Å
271	G	79.3	Confident	89.9	Confident	37 Å²	37	50.5 Å²	50.5	38%	0.381	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-69.8	169.1	168.1	0	0	0	0	0	111.8
272	T	72.4	Confident	89.9	Confident	106 Å²	106	47.7 Å²	47.7	65%	0.65	25%	0.254	S	S	*	.	S	Bend	trans	-84.9	-28.9	174.8	48.5	0	0	0	0	112.8
273	K	75.5	Confident	90	Very high	204 Å²	204	46.5 Å²	46.5	89%	0.887	25%	0.246	S	C	*	.	S	Bend	trans	-104.7	-22.3	-175.8	-62.4	-176.8	179.5	-178.4	0	114
274	E	78.7	Confident	90.1	Very high	100 Å²	100	48.5 Å²	48.5	47%	0.467	26%	0.258	S	S	.	.	S	Bend	trans	-78.4	144.7	-175.5	-59.9	176.9	159.7	0	0	110.5	P276 Q279	E274-P276 VanDerWaalsContact O-CD 3.29Å; E274-P276 WeakPolarHBondContact O-CD 3.41Å; E274-Q279 VanDerWaalsContact CB-NE2 3.26Å; E274-Q279 PolarHBondContact OE2-NE2 2.86Å
275	D	86.7	Confident	90.2	Very high	89 Å²	89	48.6 Å²	48.6	48%	0.476	26%	0.258	S	S	.	.			trans	-60.9	117	176.4	176.6	-4.5	0	0	0	110.3	F277 W278 Q279	D275-F277 PolarHBondContact O-N 3.25Å; D275-F277 VanDerWaalsContact OD1-CB 3.27Å; D275-F277 WeakPolarHBondContact OD1-CB 3.41Å; D275-F277 PolarHBondContact OD1-N 3.4Å; D275-W278 PolarHBondContact O-N 3.4Å; D275-Q279 PolarHBondContact O-OE1 2.88Å
276	P	90.6	Very high	90.3	Very high	79 Å²	79	46.1 Å²	46.1	51%	0.513	25%	0.245	S	C	.	.	H	α-helix	trans	-57.1	-21.2	-176.9	-25.2	34.3	0	0	0	114.6	M270 E274 W278 G280	M270-P276 HydrophobicContact CE-CB 4.38Å; E274-P276 VanDerWaalsContact O-CD 3.29Å; E274-P276 WeakPolarHBondContact O-CD 3.41Å; P276-W278 VanDerWaalsContact C-N 3.28Å; P276-W278 PolarHBondContact O-N 2.85Å; P276-G280 WeakPolarHBondContact O-CA 3.27Å; P276-G280 PolarHBondContact O-N 3.09Å
277	F	93	Very high	90.5	Very high	84 Å²	84	46 Å²	46	37%	0.368	25%	0.245	S	C	.	.	H	α-helix	trans	-55.5	-42	178.3	171.7	-103.9	0	0	0	112.2	D275 S281 L328 T336 I340	D275-F277 PolarHBondContact O-N 3.25Å; D275-F277 VanDerWaalsContact OD1-CB 3.27Å; D275-F277 WeakPolarHBondContact OD1-CB 3.41Å; D275-F277 PolarHBondContact OD1-N 3.4Å; F277-S281 WeakPolarHBondContact CE2-OG 3.38Å; F277-S281 VanDerWaalsContact O-CB 3.24Å; F277-S281 WeakPolarHBondContact O-CB 3.48Å; F277-S281 PolarHBondContact O-N 2.8Å; F277-S281 PolarHBondContact O-OG 3.02Å; F277-L328 HydrophobicContact CE2-CD2 4.46Å; F277-T336 HydrophobicContact CE1-CG2 3.91Å; F277-T336 HydrophobicContact CZ-CG2 4.13Å; F277-I340 HydrophobicContact CE1-CD1 4.22Å; F277-I340 HydrophobicContact CE1-CG1 4.4Å; F277-I340 HydrophobicContact CZ-CD1 4.05Å
278	W	92.2	Very high	90.6	Very high	76 Å²	76	47 Å²	47	29%	0.288	25%	0.249	S	C	.	.	H	α-helix	trans	-70.9	-49.4	-172.4	-58.7	110.2	0	0	0	112.5	D275 P276 G282 T336 I340 V343	D275-W278 PolarHBondContact O-N 3.4Å; P276-W278 VanDerWaalsContact C-N 3.28Å; P276-W278 PolarHBondContact O-N 2.85Å; W278-G282 PolarHBondContact O-N 3.32Å; W278-G282 VanDerWaalsContact O-N 3.09Å; W278-T336 HydrophobicContact CH2-CG2 4.04Å; W278-T336 HydrophobicContact CZ3-CG2 3.8Å; W278-I340 HydrophobicContact CE3-CG1 3.85Å; W278-I340 HydrophobicContact CZ3-CG1 4.02Å; W278-V343 HydrophobicContact CB-CG2 4.14Å
279	Q	93.8	Very high	90.7	Very high	7 Å²	7	47 Å²	47	3%	0.033	25%	0.249	C	C	.	.	H	α-helix	trans	-70	-39.2	177.2	-58.2	81	-0	0	0	110.3	I268 M270 E274 D275 S281 G282 R283 V343	I268-Q279 HydrophobicContact CG2-CB 3.93Å; I268-Q279 HydrophobicContact CG2-CG 4.37Å; M270-Q279 HydrophobicContact CG-CB 4.24Å; E274-Q279 VanDerWaalsContact CB-NE2 3.26Å; E274-Q279 PolarHBondContact OE2-NE2 2.86Å; D275-Q279 PolarHBondContact O-OE1 2.88Å; Q279-S281 VanDerWaalsContact C-N 3.35Å; Q279-S281 PolarHBondContact O-N 3.35Å; Q279-G282 PolarHBondContact O-N 3.17Å; Q279-R283 VanDerWaalsContact O-CG 3.28Å; Q279-R283 WeakPolarHBondContact O-CG 3.27Å; Q279-R283 PolarHBondContact O-N 3Å; Q279-V343 HydrophobicContact CG-CG1 4.35Å
280	G	95	Very high	91	Very high	19 Å²	19	46.3 Å²	46.3	20%	0.196	25%	0.245	C	C	.	.	H	α-helix	trans	-56.7	-47.8	174.7	0	0	0	0	0	112	P276 G282 R283 T284	P276-G280 WeakPolarHBondContact O-CA 3.27Å; P276-G280 PolarHBondContact O-N 3.09Å; G280-G282 PolarHBondContact O-N 3.45Å; G280-R283 WeakPolarHBondContact O-CB 3.5Å; G280-R283 PolarHBondContact O-N 2.85Å; G280-T284 PolarHBondContact O-N 2.82Å; G280-T284 VanDerWaalsContact O-N 3.08Å; G280-T284 PolarHBondContact O-OG1 3.2Å
281	S	95.5	Very high	91.4	Very high	5 Å²	5	47.4 Å²	47.4	4%	0.035	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-42	176.8	-61	0	0	0	0	112.2	F277 Q279 R283 T284 I285	F277-S281 WeakPolarHBondContact CE2-OG 3.38Å; F277-S281 VanDerWaalsContact O-CB 3.24Å; F277-S281 WeakPolarHBondContact O-CB 3.48Å; F277-S281 PolarHBondContact O-N 2.8Å; F277-S281 PolarHBondContact O-OG 3.02Å; Q279-S281 VanDerWaalsContact C-N 3.35Å; Q279-S281 PolarHBondContact O-N 3.35Å; S281-R283 VanDerWaalsContact C-N 3.35Å; S281-R283 PolarHBondContact O-N 2.93Å; S281-T284 PolarHBondContact O-N 3.35Å; S281-I285 WeakPolarHBondContact O-CG1 3.47Å; S281-I285 PolarHBondContact O-N 2.92Å
282	G	95	Very high	92.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-42.6	174.3	0	0	0	0	0	112.7	W278 Q279 G280 I285 F286 L344	W278-G282 PolarHBondContact O-N 3.32Å; W278-G282 VanDerWaalsContact O-N 3.09Å; Q279-G282 PolarHBondContact O-N 3.17Å; G280-G282 PolarHBondContact O-N 3.45Å; G282-I285 PolarHBondContact O-N 3.44Å; G282-F286 WeakPolarHBondContact O-CB 3.37Å; G282-F286 PolarHBondContact O-N 3.22Å; G282-L344 VanDerWaalsContact O-CD1 3.31Å; G282-L344 WeakPolarHBondContact O-CD1 3.42Å
283	R	96	Very high	93.3	Very high	25 Å²	25	44 Å²	44	9%	0.094	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-48.7	176.5	-71	167.3	175.8	-167.6	2	111.8	A264 N265 I268 M270 Q279 G280 S281 F286 A287	A264-R283 HydrophobicContact CB-CB 3.92Å; A264-R283 HydrophobicContact CB-CG 4.15Å; N265-R283 PolarHBondContact O-NH2 3.01Å; N265-R283 WeakPolarHBondContact OD1-CD 3.47Å; N265-R283 PolarHBondContact OD1-NH1 3.37Å; I268-R283 HydrophobicContact CB-CG 3.86Å; I268-R283 HydrophobicContact CD1-CG 4.32Å; I268-R283 HydrophobicContact CG2-CG 4.2Å; I268-R283 PolarHBondContact O-NE 3.48Å; I268-R283 PolarHBondContact O-NH2 3.04Å; M270-R283 VanDerWaalsContact N-NH2 3.18Å; M270-R283 PolarHBondContact SD-NH1 3.38Å; M270-R283 VanDerWaalsContact SD-NH1 3.37Å; Q279-R283 VanDerWaalsContact O-CG 3.28Å; Q279-R283 WeakPolarHBondContact O-CG 3.27Å; Q279-R283 PolarHBondContact O-N 3Å; G280-R283 WeakPolarHBondContact O-CB 3.5Å; G280-R283 PolarHBondContact O-N 2.85Å; S281-R283 VanDerWaalsContact C-N 3.35Å; S281-R283 PolarHBondContact O-N 2.93Å; R283-F286 PolarHBondContact O-N 3.44Å; R283-A287 WeakPolarHBondContact O-CB 3.35Å; R283-A287 PolarHBondContact O-N 3.42Å
284	T	96.8	Very high	94.2	Very high	47 Å²	47	37 Å²	37	29%	0.288	18%	0.182	S	C	.	.	H	α-helix	trans	-61.3	-46.2	178.9	-54.7	0	0	0	0	111.2	G280 S281 F286 A287 E288 P324 A325 L328	G280-T284 PolarHBondContact O-N 2.82Å; G280-T284 VanDerWaalsContact O-N 3.08Å; G280-T284 PolarHBondContact O-OG1 3.2Å; S281-T284 PolarHBondContact O-N 3.35Å; T284-F286 PolarHBondContact O-N 3.32Å; T284-A287 PolarHBondContact O-N 2.82Å; T284-E288 HydrophobicContact CG2-CG 4.19Å; T284-E288 WeakPolarHBondContact O-CB 3.39Å; T284-E288 VanDerWaalsContact O-CG 3.23Å; T284-E288 WeakPolarHBondContact O-CG 3.45Å; T284-E288 PolarHBondContact O-N 3.48Å; T284-P324 HydrophobicContact CG2-CB 4.36Å; T284-A325 HydrophobicContact CG2-CB 4.1Å; T284-L328 HydrophobicContact CG2-CD1 4.04Å
285	I	96.7	Very high	94.7	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-60	-46.1	177.4	-71	171.8	0	0	0	111.2	S281 G282 A289 L308 L320 A325 L328 V329 I340 L344	S281-I285 WeakPolarHBondContact O-CG1 3.47Å; S281-I285 PolarHBondContact O-N 2.92Å; G282-I285 PolarHBondContact O-N 3.44Å; I285-A289 WeakPolarHBondContact O-CB 3.47Å; I285-A289 PolarHBondContact O-N 2.95Å; I285-L308 HydrophobicContact CG2-CD2 3.8Å; I285-L320 HydrophobicContact CG1-CD1 4.41Å; I285-L320 HydrophobicContact CG2-CD1 4.12Å; I285-A325 HydrophobicContact CG1-CB 4.07Å; I285-L328 HydrophobicContact CD1-CB 4.16Å; I285-L328 HydrophobicContact CG1-CB 4.32Å; I285-L328 HydrophobicContact CG1-CD1 4.24Å; I285-V329 HydrophobicContact CD1-CG1 3.82Å; I285-V329 HydrophobicContact CG1-CG1 4.42Å; I285-I340 HydrophobicContact CD1-CG2 3.56Å; I285-L344 HydrophobicContact CG2-CD2 3.74Å
286	F	97.3	Very high	95	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-51.1	178.3	174.5	-100.9	0	0	0	111.8	L250 A264 L267 I268 G282 R283 T284 A289 A290 L304 L308 L344 V348 I351	L250-F286 HydrophobicContact CD2-CZ 4.24Å; A264-F286 HydrophobicContact CB-CD1 3.71Å; A264-F286 HydrophobicContact CB-CE1 4.42Å; L267-F286 HydrophobicContact CD2-CD1 4Å; L267-F286 HydrophobicContact CD2-CD2 3.97Å; L267-F286 HydrophobicContact CD2-CE1 3.73Å; L267-F286 HydrophobicContact CD2-CE2 3.72Å; L267-F286 HydrophobicContact CD2-CG 4.11Å; L267-F286 HydrophobicContact CD2-CZ 3.58Å; I268-F286 HydrophobicContact CD1-CB 4.36Å; G282-F286 WeakPolarHBondContact O-CB 3.37Å; G282-F286 PolarHBondContact O-N 3.22Å; R283-F286 PolarHBondContact O-N 3.44Å; T284-F286 PolarHBondContact O-N 3.32Å; F286-A289 PolarHBondContact O-N 3.09Å; F286-A290 VanDerWaalsContact O-CB 3.27Å; F286-A290 WeakPolarHBondContact O-CB 3.48Å; F286-A290 PolarHBondContact O-N 3.27Å; F286-L304 HydrophobicContact CE2-CD2 4.14Å; F286-L308 HydrophobicContact CD2-CD1 3.71Å; F286-L308 HydrophobicContact CE2-CD1 4.37Å; F286-L344 HydrophobicContact CB-CD1 4.01Å; F286-V348 HydrophobicContact CD2-CG2 3.86Å; F286-V348 HydrophobicContact CG-CG2 4.49Å; F286-I351 HydrophobicContact CD2-CD1 4.33Å; F286-I351 HydrophobicContact CE2-CD1 3.3Å; F286-I351 HydrophobicContact CZ-CD1 3.64Å
287	A	97.4	Very high	95.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-47.4	-175.8	0	0	0	0	0	111.7	F260 D261 A264 R283 T284 A290 Y291	F260-A287 HydrophobicContact CB-CB 4.05Å; D261-A287 VanDerWaalsContact OD1-CB 3.27Å; D261-A287 WeakPolarHBondContact OD1-CB 3.48Å; A264-A287 HydrophobicContact CB-CB 4.3Å; R283-A287 WeakPolarHBondContact O-CB 3.35Å; R283-A287 PolarHBondContact O-N 3.42Å; T284-A287 PolarHBondContact O-N 2.82Å; A287-A290 PolarHBondContact O-N 2.86Å; A287-Y291 VanDerWaalsContact O-CB 3.29Å; A287-Y291 WeakPolarHBondContact O-CB 3.19Å; A287-Y291 PolarHBondContact O-N 3.18Å
288	E	97.3	Very high	95	Very high	19 Å²	19	40.7 Å²	40.7	9%	0.089	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-45	177.9	-68.2	-61.4	158.5	0	0	112	T284 A290 Y291 L292 L320 S323 P324 A325	T284-E288 HydrophobicContact CG2-CG 4.19Å; T284-E288 WeakPolarHBondContact O-CB 3.39Å; T284-E288 VanDerWaalsContact O-CG 3.23Å; T284-E288 WeakPolarHBondContact O-CG 3.45Å; T284-E288 PolarHBondContact O-N 3.48Å; E288-A290 PolarHBondContact O-N 3.32Å; E288-Y291 PolarHBondContact O-N 3.03Å; E288-L292 WeakPolarHBondContact O-CB 3.41Å; E288-L292 VanDerWaalsContact O-CG 3.26Å; E288-L292 WeakPolarHBondContact O-CG 3.34Å; E288-L292 PolarHBondContact O-N 3.35Å; E288-L320 HydrophobicContact CB-CD2 4.13Å; E288-S323 WeakPolarHBondContact OE2-CB 3.43Å; E288-P324 WeakPolarHBondContact OE1-CD 3.32Å; E288-A325 HydrophobicContact CB-CB 4Å; E288-A325 HydrophobicContact CG-CB 3.91Å
289	A	96.5	Very high	95	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-44.1	178.9	0	0	0	0	0	111.9	I285 F286 M293 L304 L308 Y319 L320	I285-A289 WeakPolarHBondContact O-CB 3.47Å; I285-A289 PolarHBondContact O-N 2.95Å; F286-A289 PolarHBondContact O-N 3.09Å; A289-M293 WeakPolarHBondContact O-CB 3.46Å; A289-M293 PolarHBondContact O-N 3.44Å; A289-M293 VanDerWaalsContact O-N 3.08Å; A289-L304 HydrophobicContact CB-CD1 4.48Å; A289-L308 HydrophobicContact CB-CD2 3.43Å; A289-L308 VanDerWaalsContact CB-CD2 3.43Å; A289-L308 HydrophobicContact CB-CG 4.25Å; A289-Y319 HydrophobicContact CB-CE1 4.21Å; A289-L320 HydrophobicContact CB-CD2 4.06Å
290	A	97.1	Very high	95	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-40.9	179	0	0	0	0	0	111.6	L250 W251 F260 F286 A287 E288 M293 R294 L304	L250-A290 HydrophobicContact CD2-CB 4.2Å; W251-A290 VanDerWaalsContact CD1-O 3.29Å; W251-A290 PolarHBondContact NE1-O 3.39Å; F260-A290 HydrophobicContact CD1-CB 3.58Å; F260-A290 HydrophobicContact CE1-CB 3.68Å; F286-A290 VanDerWaalsContact O-CB 3.27Å; F286-A290 WeakPolarHBondContact O-CB 3.48Å; F286-A290 PolarHBondContact O-N 3.27Å; A287-A290 PolarHBondContact O-N 2.86Å; E288-A290 PolarHBondContact O-N 3.32Å; A290-M293 PolarHBondContact O-N 2.93Å; A290-R294 PolarHBondContact O-N 2.97Å; A290-L304 HydrophobicContact CB-CD1 4.19Å; A290-L304 HydrophobicContact CB-CD2 4.37Å
291	Y	96.8	Very high	95	Very high	96 Å²	96	40.9 Å²	40.9	38%	0.376	21%	0.211	S	C	.	.	H	α-helix	trans	-64.3	-48.2	176.1	-180	-100.7	0	0	0	112.3	Q257 F260 A287 E288 M293 R294	Q257-Y291 HydrophobicContact CB-CD2 4.39Å; Q257-Y291 HydrophobicContact CB-CE2 4.35Å; F260-Y291 AromaticContact CD2-CD2 3.76Å; F260-Y291 HydrophobicContact CD2-CD2 3.76Å; F260-Y291 HydrophobicContact CD2-CG 4.37Å; F260-Y291 AromaticContact CE2-CD2 3.73Å; F260-Y291 HydrophobicContact CE2-CD2 3.73Å; F260-Y291 HydrophobicContact CE2-CG 4.46Å; A287-Y291 VanDerWaalsContact O-CB 3.29Å; A287-Y291 WeakPolarHBondContact O-CB 3.19Å; A287-Y291 PolarHBondContact O-N 3.18Å; E288-Y291 PolarHBondContact O-N 3.03Å; Y291-M293 PolarHBondContact O-N 3.23Å; Y291-R294 WeakPolarHBondContact O-CB 3.33Å; Y291-R294 PolarHBondContact O-N 3.41Å
292	L	95.3	Very high	94.8	Very high	72 Å²	72	41.5 Å²	41.5	38%	0.377	22%	0.215	S	C	.	.	H	α-helix	trans	-59.9	-35.8	177.5	-72.3	172.2	0	0	0	112.1	E288 R294 Y319 L320	E288-L292 WeakPolarHBondContact O-CB 3.41Å; E288-L292 VanDerWaalsContact O-CG 3.26Å; E288-L292 WeakPolarHBondContact O-CG 3.34Å; E288-L292 PolarHBondContact O-N 3.35Å; L292-R294 PolarHBondContact O-N 3.21Å; L292-Y319 HydrophobicContact CB-CE1 4.21Å; L292-Y319 HydrophobicContact CD1-CE1 4.5Å; L292-L320 HydrophobicContact CD1-CD2 4.22Å
293	M	95.8	Very high	94.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-70.3	-11.6	177.7	-163.2	168.1	-64.5	0	0	113.6	W251 A289 A290 Y291 N295 D296 R299 K303 L304 T307 Y319	W251-M293 HydrophobicContact CZ2-CG 4.23Å; W251-M293 HydrophobicContact CZ2-SD 3.94Å; A289-M293 WeakPolarHBondContact O-CB 3.46Å; A289-M293 PolarHBondContact O-N 3.44Å; A289-M293 VanDerWaalsContact O-N 3.08Å; A290-M293 PolarHBondContact O-N 2.93Å; Y291-M293 PolarHBondContact O-N 3.23Å; M293-N295 VanDerWaalsContact C-N 3.31Å; M293-N295 PolarHBondContact O-N 3.41Å; M293-D296 HydrophobicContact CG-CB 4.08Å; M293-D296 WeakPolarHBondContact O-CB 3.49Å; M293-D296 PolarHBondContact O-N 3.15Å; M293-R299 HydrophobicContact CG-CB 3.85Å; M293-R299 WeakPolarHBondContact O-CB 3.33Å; M293-R299 HydrophobicContact SD-CB 4.46Å; M293-K303 HydrophobicContact CE-CD 4.48Å; M293-K303 HydrophobicContact CE-CG 3.9Å; M293-K303 HydrophobicContact SD-CB 4.14Å; M293-K303 HydrophobicContact SD-CD 4.29Å; M293-K303 HydrophobicContact SD-CG 3.99Å; M293-L304 HydrophobicContact CE-CB 4.31Å; M293-L304 HydrophobicContact CE-CD1 4.23Å; M293-L304 HydrophobicContact SD-CB 3.93Å; M293-L304 HydrophobicContact SD-CD1 4.41Å; M293-T307 HydrophobicContact CE-CG2 4.38Å; M293-T307 WeakPolarHBondContact CE-OG1 3.39Å; M293-Y319 WeakPolarHBondContact CA-OH 3.49Å; M293-Y319 WeakPolarHBondContact CB-OH 3.42Å; M293-Y319 PolarHBondContact N-OH 2.93Å
294	R	93.8	Very high	94.6	Very high	58 Å²	58	43.2 Å²	43.2	22%	0.219	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-56.9	-41.4	-174.2	-178.6	176.1	-174.9	165.7	-5.7	114.2	W251 C254 L255 A290 Y291 L292 D296 R299	W251-R294 HydrophobicContact CB-CG 4.39Å; W251-R294 VanDerWaalsContact CD1-CA 3.5Å; C254-R294 PolarHBondContact O-NH1 3.11Å; L255-R294 PolarHBondContact O-NH1 3.02Å; L255-R294 PolarHBondContact O-NH2 3.19Å; A290-R294 PolarHBondContact O-N 2.97Å; Y291-R294 WeakPolarHBondContact O-CB 3.33Å; Y291-R294 PolarHBondContact O-N 3.41Å; L292-R294 PolarHBondContact O-N 3.21Å; R294-D296 VanDerWaalsContact C-N 3.31Å; R294-R299 WeakPolarHBondContact O-CD 3.28Å; R294-R299 PolarHBondContact O-NH1 2.93Å
295	N	90.4	Very high	94.4	Very high	150 Å²	150	41 Å²	41	80%	0.802	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-91.5	4.4	-178.2	-65.1	-31.1	0	0	0	112.6	M293	M293-N295 VanDerWaalsContact C-N 3.31Å; M293-N295 PolarHBondContact O-N 3.41Å
296	D	93.2	Very high	94.1	Very high	37 Å²	37	42.3 Å²	42.3	20%	0.198	22%	0.217	C	C	.	.			trans	-73.4	121.7	176.7	-166.4	-52.4	0	0	0	109.6	M293 R294 N298 R299 K303	M293-D296 HydrophobicContact CG-CB 4.08Å; M293-D296 WeakPolarHBondContact O-CB 3.49Å; M293-D296 PolarHBondContact O-N 3.15Å; R294-D296 VanDerWaalsContact C-N 3.31Å; D296-N298 PolarHBondContact O-N 3.11Å; D296-N298 VanDerWaalsContact O-N 3.17Å; D296-N298 WeakPolarHBondContact OD1-CA 3.21Å; D296-N298 PolarHBondContact OD1-N 3.32Å; D296-R299 HydrophobicContact CB-CB 4.24Å; D296-R299 WeakPolarHBondContact O-CB 3.27Å; D296-R299 PolarHBondContact O-N 2.86Å; D296-R299 VanDerWaalsContact O-N 3.1Å; D296-K303 IonicContact OD1-NZ 2.67Å; D296-K303 PolarHBondContact OD1-NZ 2.96Å; D296-K303 VanDerWaalsContact OD2-CE 3.23Å; D296-K303 WeakPolarHBondContact OD2-CE 3.27Å; D296-K303 IonicContact OD2-NZ 3.72Å; D296-K303 PolarHBondContact OD2-NZ 3.31Å
297	P	91.3	Very high	93.9	Very high	122 Å²	122	43 Å²	43	79%	0.792	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.3	-178.6	26.9	-35.1	0	0	0	112.9
298	N	91	Very high	93.7	Very high	119 Å²	119	43 Å²	43	64%	0.636	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.4	26.1	178.1	-60.9	-44.8	0	0	0	111.5	D296 K303	D296-N298 PolarHBondContact O-N 3.11Å; D296-N298 VanDerWaalsContact O-N 3.17Å; D296-N298 WeakPolarHBondContact OD1-CA 3.21Å; D296-N298 PolarHBondContact OD1-N 3.32Å; N298-K303 VanDerWaalsContact O-CD 3.23Å; N298-K303 WeakPolarHBondContact O-CD 3.44Å
299	R	93.7	Very high	93.4	Very high	73 Å²	73	42 Å²	42	28%	0.275	22%	0.216	S	C	.	.			trans	-60	137.1	176.3	72.1	-173.2	-163	-173.9	9.5	110.8	D249 W251 M293 R294 D296	D249-R299 IonicContact OD1-NH2 3.58Å; D249-R299 PolarHBondContact OD1-NH2 2.81Å; D249-R299 IonicContact OD2-NH2 3.2Å; D249-R299 PolarHBondContact OD2-NH2 3.13Å; D249-R299 VanDerWaalsContact OD2-NH2 3.16Å; W251-R299 VanDerWaalsContact CB-NH1 3.34Å; W251-R299 HydrophobicContact CD2-CG 4.31Å; W251-R299 HydrophobicContact CE3-CG 4.21Å; W251-R299 HydrophobicContact CH2-CB 4.43Å; W251-R299 HydrophobicContact CZ2-CB 4.23Å; W251-R299 HydrophobicContact CZ3-CG 4.4Å; M293-R299 HydrophobicContact CG-CB 3.85Å; M293-R299 WeakPolarHBondContact O-CB 3.33Å; M293-R299 HydrophobicContact SD-CB 4.46Å; R294-R299 WeakPolarHBondContact O-CD 3.28Å; R294-R299 PolarHBondContact O-NH1 2.93Å; D296-R299 HydrophobicContact CB-CB 4.24Å; D296-R299 WeakPolarHBondContact O-CB 3.27Å; D296-R299 PolarHBondContact O-N 2.86Å; D296-R299 VanDerWaalsContact O-N 3.1Å
300	S	93.7	Very high	92.9	Very high	32 Å²	32	43.4 Å²	43.4	22%	0.224	23%	0.226	C	C	.	.			trans	-161.4	160.5	175.5	66.9	0	0	0	0	109.9	W251 S302 K303 L304 E358	W251-S300 VanDerWaalsContact CH2-C 3.45Å; S300-S302 VanDerWaalsContact C-N 3.26Å; S300-S302 PolarHBondContact O-N 3.24Å; S300-K303 PolarHBondContact O-N 2.88Å; S300-K303 VanDerWaalsContact O-N 3.17Å; S300-K303 WeakPolarHBondContact OG-CB 3.42Å; S300-K303 PolarHBondContact OG-N 3.2Å; S300-K303 VanDerWaalsContact OG-N 3.11Å; S300-L304 PolarHBondContact O-N 3.47Å; S300-E358 WeakPolarHBondContact CA-OE1 3.42Å
301	Y	94.2	Very high	92.4	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-39	176	-69	-62	0	0	0	111.5	W248 L250 W251 K303 L304 V305 I351 L354 I357 E358	W248-Y301 HydrophobicContact CZ3-CE1 4.2Å; W248-Y301 WeakPolarHBondContact CZ3-OH 3.36Å; W248-Y301 PolarHBondContact O-OH 3.46Å; L250-Y301 HydrophobicContact CB-CE1 3.85Å; L250-Y301 HydrophobicContact CD2-CE1 4.44Å; L250-Y301 PolarHBondContact N-OH 3.02Å; W251-Y301 HydrophobicContact CH2-CD1 4.34Å; W251-Y301 HydrophobicContact CH2-CE1 4.5Å; W251-Y301 HydrophobicContact CZ3-CE1 4.37Å; Y301-K303 VanDerWaalsContact C-N 3.32Å; Y301-K303 PolarHBondContact O-N 3.05Å; Y301-L304 PolarHBondContact O-N 3.08Å; Y301-V305 WeakPolarHBondContact O-CB 3.47Å; Y301-V305 VanDerWaalsContact O-CG2 3.3Å; Y301-V305 WeakPolarHBondContact O-CG2 3.5Å; Y301-V305 PolarHBondContact O-N 3.32Å; Y301-I351 HydrophobicContact CD1-CG2 3.76Å; Y301-I351 HydrophobicContact CG-CG2 4.43Å; Y301-L354 HydrophobicContact CD1-CB 4.08Å; Y301-L354 HydrophobicContact CD1-CD1 4.1Å; Y301-L354 HydrophobicContact CD2-CB 3.52Å; Y301-L354 WeakPolarHBondContact CD2-O 3.44Å; Y301-L354 HydrophobicContact CE1-CB 4.36Å; Y301-L354 HydrophobicContact CE1-CD1 3.86Å; Y301-L354 HydrophobicContact CE2-CB 3.86Å; Y301-L354 HydrophobicContact CG-CB 3.66Å; Y301-I357 HydrophobicContact CD2-CD1 4.49Å; Y301-I357 HydrophobicContact CD2-CG1 4.29Å; Y301-I357 HydrophobicContact CE2-CD1 3.84Å; Y301-I357 HydrophobicContact CE2-CG1 3.85Å; Y301-E358 HydrophobicContact CD2-CG 4.03Å; Y301-E358 WeakPolarHBondContact CD2-OE1 3.27Å; Y301-E358 HydrophobicContact CE2-CG 4.07Å; Y301-E358 PolarHBondContact N-OE1 2.83Å
302	S	90.7	Very high	92	Very high	19 Å²	19	48 Å²	48	13%	0.133	25%	0.249	C	C	.	.	H	α-helix	trans	-59	-43.9	174.9	-54.6	0	0	0	0	111.5	S300 V305 D306 Q355	S300-S302 VanDerWaalsContact C-N 3.26Å; S300-S302 PolarHBondContact O-N 3.24Å; S302-V305 PolarHBondContact O-N 2.86Å; S302-D306 WeakPolarHBondContact O-CB 3.47Å; S302-D306 PolarHBondContact O-N 2.62Å; S302-Q355 WeakPolarHBondContact OG-CB 3.27Å; S302-Q355 PolarHBondContact OG-OE1 3.35Å
303	K	92.3	Very high	91.6	Very high	60 Å²	60	45 Å²	45	26%	0.261	23%	0.234	S	C	.	.	H	α-helix	trans	-67.2	-39.8	178	-173.5	173.1	177.1	170.1	0	112.1	M293 D296 N298 S300 Y301 T307	M293-K303 HydrophobicContact CE-CD 4.48Å; M293-K303 HydrophobicContact CE-CG 3.9Å; M293-K303 HydrophobicContact SD-CB 4.14Å; M293-K303 HydrophobicContact SD-CD 4.29Å; M293-K303 HydrophobicContact SD-CG 3.99Å; D296-K303 IonicContact OD1-NZ 2.67Å; D296-K303 PolarHBondContact OD1-NZ 2.96Å; D296-K303 VanDerWaalsContact OD2-CE 3.23Å; D296-K303 WeakPolarHBondContact OD2-CE 3.27Å; D296-K303 IonicContact OD2-NZ 3.72Å; D296-K303 PolarHBondContact OD2-NZ 3.31Å; N298-K303 VanDerWaalsContact O-CD 3.23Å; N298-K303 WeakPolarHBondContact O-CD 3.44Å; S300-K303 PolarHBondContact O-N 2.88Å; S300-K303 VanDerWaalsContact O-N 3.17Å; S300-K303 WeakPolarHBondContact OG-CB 3.42Å; S300-K303 PolarHBondContact OG-N 3.2Å; S300-K303 VanDerWaalsContact OG-N 3.11Å; Y301-K303 VanDerWaalsContact C-N 3.32Å; Y301-K303 PolarHBondContact O-N 3.05Å; K303-T307 VanDerWaalsContact O-CB 3.29Å; K303-T307 WeakPolarHBondContact O-CB 3.35Å; K303-T307 PolarHBondContact O-N 3.11Å; K303-T307 PolarHBondContact O-OG1 2.84Å
304	L	95	Very high	91.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-49.5	176.5	-179.8	60.3	0	0	0	110.9	L250 W251 F286 A289 A290 M293 S300 Y301 D306 T307 L308	L250-L304 HydrophobicContact CD2-CD2 3.81Å; W251-L304 HydrophobicContact CZ2-CB 4.35Å; W251-L304 HydrophobicContact CZ2-CD2 4.29Å; F286-L304 HydrophobicContact CE2-CD2 4.14Å; A289-L304 HydrophobicContact CB-CD1 4.48Å; A290-L304 HydrophobicContact CB-CD1 4.19Å; A290-L304 HydrophobicContact CB-CD2 4.37Å; M293-L304 HydrophobicContact CE-CB 4.31Å; M293-L304 HydrophobicContact CE-CD1 4.23Å; M293-L304 HydrophobicContact SD-CB 3.93Å; M293-L304 HydrophobicContact SD-CD1 4.41Å; S300-L304 PolarHBondContact O-N 3.47Å; Y301-L304 PolarHBondContact O-N 3.08Å; L304-D306 PolarHBondContact O-N 2.87Å; L304-T307 PolarHBondContact O-N 3.05Å; L304-L308 HydrophobicContact CD1-CD1 3.94Å; L304-L308 HydrophobicContact CD1-CG 4.32Å; L304-L308 HydrophobicContact CG-CD1 4.16Å; L304-L308 WeakPolarHBondContact O-CG 3.49Å; L304-L308 PolarHBondContact O-N 3.37Å
305	V	93	Very high	91.2	Very high	1 Å²	1	53 Å²	53	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-43.3	179.3	174	0	0	0	0	111.1	Y301 S302 T307 L308 L309 I351 R352 L585	Y301-V305 WeakPolarHBondContact O-CB 3.47Å; Y301-V305 VanDerWaalsContact O-CG2 3.3Å; Y301-V305 WeakPolarHBondContact O-CG2 3.5Å; Y301-V305 PolarHBondContact O-N 3.32Å; S302-V305 PolarHBondContact O-N 2.86Å; V305-T307 VanDerWaalsContact C-N 3.33Å; V305-T307 PolarHBondContact O-N 2.99Å; V305-L308 PolarHBondContact O-N 2.66Å; V305-L309 HydrophobicContact CG1-CD1 3.86Å; V305-L309 HydrophobicContact CG1-CG 4.31Å; V305-L309 WeakPolarHBondContact O-CB 3.42Å; V305-L309 WeakPolarHBondContact O-CG 3.43Å; V305-L309 PolarHBondContact O-N 3.11Å; V305-I351 HydrophobicContact CG2-CB 4.05Å; V305-I351 HydrophobicContact CG2-CG2 3.72Å; V305-R352 HydrophobicContact CG1-CB 4.34Å; V305-R352 HydrophobicContact CG2-CB 4.45Å; V305-L585 HydrophobicContact CG1-CD1 3.74Å; V305-L585 HydrophobicContact CG1-CD2 3.56Å; V305-L585 HydrophobicContact CG1-CG 4.32Å
306	D	90.8	Very high	91.3	Very high	30 Å²	30	45.9 Å²	45.9	16%	0.16	23%	0.233	C	C	.	.	I	π-helix	trans	-60.9	-41.8	174.8	-87.6	-18.3	0	0	0	112.8	S302 L304 L308 S310 I311 R584	S302-D306 WeakPolarHBondContact O-CB 3.47Å; S302-D306 PolarHBondContact O-N 2.62Å; L304-D306 PolarHBondContact O-N 2.87Å; D306-L308 VanDerWaalsContact C-N 3.3Å; D306-L308 PolarHBondContact O-N 2.79Å; D306-S310 WeakPolarHBondContact O-CA 3.37Å; D306-S310 WeakPolarHBondContact O-CB 3.35Å; D306-S310 PolarHBondContact O-N 2.88Å; D306-S310 PolarHBondContact OD1-OG 2.91Å; D306-I311 PolarHBondContact O-N 2.95Å; D306-R584 VanDerWaalsContact CG-NH2 3.34Å; D306-R584 IonicContact OD1-CZ 2.82Å; D306-R584 IonicContact OD1-NH1 3.77Å; D306-R584 PolarHBondContact OD1-NH1 2.85Å; D306-R584 IonicContact OD1-NH2 3.54Å; D306-R584 PolarHBondContact OD1-NH2 2.87Å; D306-R584 IonicContact OD2-CZ 3.79Å; D306-R584 IonicContact OD2-NH1 3.84Å; D306-R584 PolarHBondContact OD2-NH1 3.37Å; D306-R584 IonicContact OD2-NH2 3.29Å; D306-R584 PolarHBondContact OD2-NH2 3.31Å
307	T	92.7	Very high	91.3	Very high	13 Å²	13	46 Å²	46	8%	0.08	23%	0.231	C	C	.	.	I	π-helix	trans	-65.2	-36.4	179.3	-58.7	0	0	0	0	111.3	M293 K303 L304 V305 I311 Y319	M293-T307 HydrophobicContact CE-CG2 4.38Å; M293-T307 WeakPolarHBondContact CE-OG1 3.39Å; K303-T307 VanDerWaalsContact O-CB 3.29Å; K303-T307 WeakPolarHBondContact O-CB 3.35Å; K303-T307 PolarHBondContact O-N 3.11Å; K303-T307 PolarHBondContact O-OG1 2.84Å; L304-T307 PolarHBondContact O-N 3.05Å; V305-T307 VanDerWaalsContact C-N 3.33Å; V305-T307 PolarHBondContact O-N 2.99Å; T307-I311 HydrophobicContact CG2-CD1 3.99Å; T307-I311 WeakPolarHBondContact O-CD1 3.15Å; T307-I311 WeakPolarHBondContact O-CG1 3.28Å; T307-Y319 HydrophobicContact CG2-CD1 3.61Å; T307-Y319 HydrophobicContact CG2-CD2 4.31Å; T307-Y319 HydrophobicContact CG2-CE1 3.73Å; T307-Y319 HydrophobicContact CG2-CE2 4.42Å; T307-Y319 HydrophobicContact CG2-CG 3.92Å
308	L	93.3	Very high	91.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-83.7	-38.7	-178.3	-69	177	0	0	0	113.1	I285 F286 A289 L304 V305 D306 R341 L344 V348	I285-L308 HydrophobicContact CG2-CD2 3.8Å; F286-L308 HydrophobicContact CD2-CD1 3.71Å; F286-L308 HydrophobicContact CE2-CD1 4.37Å; A289-L308 HydrophobicContact CB-CD2 3.43Å; A289-L308 VanDerWaalsContact CB-CD2 3.43Å; A289-L308 HydrophobicContact CB-CG 4.25Å; L304-L308 HydrophobicContact CD1-CD1 3.94Å; L304-L308 HydrophobicContact CD1-CG 4.32Å; L304-L308 HydrophobicContact CG-CD1 4.16Å; L304-L308 WeakPolarHBondContact O-CG 3.49Å; L304-L308 PolarHBondContact O-N 3.37Å; V305-L308 PolarHBondContact O-N 2.66Å; D306-L308 VanDerWaalsContact C-N 3.3Å; D306-L308 PolarHBondContact O-N 2.79Å; L308-R341 WeakPolarHBondContact O-CD 3.3Å; L308-L344 HydrophobicContact CB-CD2 4.04Å; L308-L344 HydrophobicContact CD2-CD2 4.05Å; L308-L344 HydrophobicContact CG-CD2 4.46Å; L308-V348 HydrophobicContact CD1-CG1 3.87Å
309	L	90	Very high	91.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.	I	π-helix	trans	-112.2	-35.2	-165.8	-49.2	-171.9	0	0	0	113.2	V305 L344 T345 V348 K349 L589 R592	V305-L309 HydrophobicContact CG1-CD1 3.86Å; V305-L309 HydrophobicContact CG1-CG 4.31Å; V305-L309 WeakPolarHBondContact O-CB 3.42Å; V305-L309 WeakPolarHBondContact O-CG 3.43Å; V305-L309 PolarHBondContact O-N 3.11Å; L309-L344 HydrophobicContact CD2-CD2 4.39Å; L309-L344 HydrophobicContact CD2-CG 4.34Å; L309-T345 HydrophobicContact CD1-CG2 4.44Å; L309-V348 HydrophobicContact CD1-CG1 4.31Å; L309-V348 HydrophobicContact CD2-CB 4.41Å; L309-V348 HydrophobicContact CD2-CG1 4.36Å; L309-V348 HydrophobicContact CG-CG1 4.43Å; L309-K349 HydrophobicContact CD1-CB 4.45Å; L309-L589 HydrophobicContact CD1-CD2 3.93Å; L309-R592 PolarHBondContact O-NE 3.33Å
310	S	85.8	Confident	91.6	Very high	29 Å²	29	39 Å²	39	20%	0.203	19%	0.192	C	C	.	.	I	π-helix	trans	-94	-42.3	-169.5	-53.3	0	0	0	0	114	D306	D306-S310 WeakPolarHBondContact O-CA 3.37Å; D306-S310 WeakPolarHBondContact O-CB 3.35Å; D306-S310 PolarHBondContact O-N 2.88Å; D306-S310 PolarHBondContact OD1-OG 2.91Å
311	I	87.9	Confident	91.6	Very high	44 Å²	44	46 Å²	46	23%	0.226	21%	0.214	C	C	.	.	S	Bend	trans	-65.6	154.7	-176.6	67.8	178.5	0	0	0	112	D306 T307 K315 L316 R341	D306-I311 PolarHBondContact O-N 2.95Å; T307-I311 HydrophobicContact CG2-CD1 3.99Å; T307-I311 WeakPolarHBondContact O-CD1 3.15Å; T307-I311 WeakPolarHBondContact O-CG1 3.28Å; I311-K315 HydrophobicContact CB-CB 4.19Å; I311-K315 HydrophobicContact CD1-CB 3.97Å; I311-K315 HydrophobicContact CG1-CB 4.33Å; I311-L316 HydrophobicContact CD1-CB 3.96Å; I311-L316 HydrophobicContact CD1-CD1 4.39Å; I311-L316 HydrophobicContact CG1-CB 4.18Å; I311-R341 PolarHBondContact O-NH1 3.38Å
312	K	87.6	Confident	91.5	Very high	148 Å²	148	53.3 Å²	53.3	64%	0.643	25%	0.252	S	S	*	.			trans	-64.2	150.8	173.8	-53.3	-171.5	172.7	-172.9	0	110.8	E314 K315 L316	K312-E314 WeakPolarHBondContact CB-OE2 3.37Å; K312-E314 PolarHBondContact O-N 2.85Å; K312-K315 WeakPolarHBondContact O-CB 3.43Å; K312-K315 PolarHBondContact O-N 3.23Å; K312-L316 PolarHBondContact O-N 3.36Å; K312-L316 VanDerWaalsContact O-N 3.08Å
313	I	87.3	Confident	91.7	Very high	9 Å²	9	53.1 Å²	53.1	5%	0.046	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-31.9	-174.1	-170	71.8	0	0	0	111.7	K315 L316 R317 V329 A337	I313-K315 VanDerWaalsContact C-N 3.34Å; I313-K315 PolarHBondContact O-N 2.92Å; I313-L316 HydrophobicContact CD1-CD2 4.17Å; I313-L316 WeakPolarHBondContact O-CB 3.38Å; I313-L316 PolarHBondContact O-N 2.86Å; I313-R317 VanDerWaalsContact CG2-NH2 3.33Å; I313-R317 VanDerWaalsContact O-CG 3.3Å; I313-R317 WeakPolarHBondContact O-CG 3.23Å; I313-R317 PolarHBondContact O-N 2.84Å; I313-V329 HydrophobicContact CD1-CB 4.26Å; I313-V329 HydrophobicContact CD1-CG1 4.21Å; I313-A337 HydrophobicContact CD1-CB 4.02Å; I313-A337 HydrophobicContact CG1-CB 4.38Å
314	E	89.4	Confident	91.8	Very high	86 Å²	86	54.4 Å²	54.4	40%	0.402	27%	0.266	S	S	.	.	H	α-helix	trans	-65.9	-36.5	177.1	-50.5	76.5	-169.7	0	0	112	K312 R317 T318	K312-E314 WeakPolarHBondContact CB-OE2 3.37Å; K312-E314 PolarHBondContact O-N 2.85Å; E314-R317 WeakPolarHBondContact O-CB 3.49Å; E314-T318 PolarHBondContact O-N 2.85Å; E314-T318 VanDerWaalsContact O-N 3.09Å; E314-T318 PolarHBondContact O-OG1 2.85Å
315	K	92.3	Very high	91.8	Very high	140 Å²	140	54.4 Å²	54.4	61%	0.609	27%	0.266	S	S	*	.	H	α-helix	trans	-71.8	-38.3	174.2	-70.2	-169.9	175.8	-174.8	0	111	I311 K312 I313 T318 Y319	I311-K315 HydrophobicContact CB-CB 4.19Å; I311-K315 HydrophobicContact CD1-CB 3.97Å; I311-K315 HydrophobicContact CG1-CB 4.33Å; K312-K315 WeakPolarHBondContact O-CB 3.43Å; K312-K315 PolarHBondContact O-N 3.23Å; I313-K315 VanDerWaalsContact C-N 3.34Å; I313-K315 PolarHBondContact O-N 2.92Å; K315-T318 WeakPolarHBondContact O-CB 3.45Å; K315-T318 PolarHBondContact O-N 2.96Å; K315-Y319 WeakPolarHBondContact O-CB 3.33Å; K315-Y319 PolarHBondContact O-N 3.41Å
316	L	92.7	Very high	91.9	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-43.3	174.4	-177.2	57.6	0	0	0	111.5	I311 K312 I313 T318 Y319 L320 V329	I311-L316 HydrophobicContact CD1-CB 3.96Å; I311-L316 HydrophobicContact CD1-CD1 4.39Å; I311-L316 HydrophobicContact CG1-CB 4.18Å; K312-L316 PolarHBondContact O-N 3.36Å; K312-L316 VanDerWaalsContact O-N 3.08Å; I313-L316 HydrophobicContact CD1-CD2 4.17Å; I313-L316 WeakPolarHBondContact O-CB 3.38Å; I313-L316 PolarHBondContact O-N 2.86Å; L316-T318 VanDerWaalsContact C-N 3.28Å; L316-T318 PolarHBondContact O-N 3.17Å; L316-Y319 PolarHBondContact O-N 2.97Å; L316-Y319 VanDerWaalsContact O-N 3.15Å; L316-L320 HydrophobicContact CD1-CD1 3.68Å; L316-L320 HydrophobicContact CD1-CG 3.98Å; L316-L320 HydrophobicContact CG-CD1 3.92Å; L316-L320 PolarHBondContact O-N 2.87Å; L316-V329 HydrophobicContact CD2-CG1 4.17Å; L316-V329 HydrophobicContact CG-CG1 4.35Å
317	R	93.2	Very high	92	Very high	39 Å²	39	59.7 Å²	59.7	15%	0.147	30%	0.298	C	S	.	.	H	α-helix	trans	-53.1	-47	170.8	-73.8	171.7	-158.9	150	8.7	111.8	I313 E314 Y319 R321 V329 E334	I313-R317 VanDerWaalsContact CG2-NH2 3.33Å; I313-R317 VanDerWaalsContact O-CG 3.3Å; I313-R317 WeakPolarHBondContact O-CG 3.23Å; I313-R317 PolarHBondContact O-N 2.84Å; E314-R317 WeakPolarHBondContact O-CB 3.49Å; R317-Y319 VanDerWaalsContact C-N 3.34Å; R317-R321 PolarHBondContact O-N 2.97Å; R317-V329 HydrophobicContact CB-CG2 4.37Å; R317-V329 WeakPolarHBondContact CD-O 3.47Å; R317-V329 HydrophobicContact CG-CB 4.01Å; R317-V329 HydrophobicContact CG-CG2 3.88Å; R317-V329 WeakPolarHBondContact CG-O 3.39Å; R317-V329 PolarHBondContact NE-O 3.27Å; R317-E334 IonicContact CZ-OE1 2.67Å; R317-E334 IonicContact NH1-OE1 3.78Å; R317-E334 IonicContact NH2-OE1 3.69Å; R317-E334 PolarHBondContact NH2-OE1 3.23Å
318	T	93.5	Very high	92.1	Very high	103 Å²	103	60.4 Å²	60.4	63%	0.632	30%	0.301	S	S	*	.	H	α-helix	trans	-65.3	-40.4	179.5	-55.4	0	0	0	0	111.3	E314 K315 L316 R321	E314-T318 PolarHBondContact O-N 2.85Å; E314-T318 VanDerWaalsContact O-N 3.09Å; E314-T318 PolarHBondContact O-OG1 2.85Å; K315-T318 WeakPolarHBondContact O-CB 3.45Å; K315-T318 PolarHBondContact O-N 2.96Å; L316-T318 VanDerWaalsContact C-N 3.28Å; L316-T318 PolarHBondContact O-N 3.17Å; T318-R321 VanDerWaalsContact O-CB 3.24Å; T318-R321 WeakPolarHBondContact O-CB 3.38Å; T318-R321 PolarHBondContact O-N 2.79Å
319	Y	93.5	Very high	92	Very high	63 Å²	63	60.5 Å²	60.5	25%	0.247	30%	0.301	C	S	.	.	H	α-helix	trans	-66.6	-42.8	179.6	-171.7	-100.9	0	0	0	112.5	A289 L292 M293 T307 K315 L316 R317 R321	A289-Y319 HydrophobicContact CB-CE1 4.21Å; L292-Y319 HydrophobicContact CB-CE1 4.21Å; L292-Y319 HydrophobicContact CD1-CE1 4.5Å; M293-Y319 WeakPolarHBondContact CA-OH 3.49Å; M293-Y319 WeakPolarHBondContact CB-OH 3.42Å; M293-Y319 PolarHBondContact N-OH 2.93Å; T307-Y319 HydrophobicContact CG2-CD1 3.61Å; T307-Y319 HydrophobicContact CG2-CD2 4.31Å; T307-Y319 HydrophobicContact CG2-CE1 3.73Å; T307-Y319 HydrophobicContact CG2-CE2 4.42Å; T307-Y319 HydrophobicContact CG2-CG 3.92Å; K315-Y319 WeakPolarHBondContact O-CB 3.33Å; K315-Y319 PolarHBondContact O-N 3.41Å; L316-Y319 PolarHBondContact O-N 2.97Å; L316-Y319 VanDerWaalsContact O-N 3.15Å; R317-Y319 VanDerWaalsContact C-N 3.34Å; Y319-R321 PolarHBondContact O-N 2.86Å
320	L	95.3	Very high	92	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	13.3	179	-63	174.4	0	0	0	113.1	I285 E288 A289 L292 L316 N322 S323 A325 A326 V329	I285-L320 HydrophobicContact CG1-CD1 4.41Å; I285-L320 HydrophobicContact CG2-CD1 4.12Å; E288-L320 HydrophobicContact CB-CD2 4.13Å; A289-L320 HydrophobicContact CB-CD2 4.06Å; L292-L320 HydrophobicContact CD1-CD2 4.22Å; L316-L320 HydrophobicContact CD1-CD1 3.68Å; L316-L320 HydrophobicContact CD1-CG 3.98Å; L316-L320 HydrophobicContact CG-CD1 3.92Å; L316-L320 PolarHBondContact O-N 2.87Å; L320-N322 PolarHBondContact O-N 2.6Å; L320-S323 PolarHBondContact O-N 2.79Å; L320-S323 VanDerWaalsContact O-N 3.13Å; L320-S323 PolarHBondContact O-OG 3.03Å; L320-A325 HydrophobicContact CD1-CB 3.98Å; L320-A325 HydrophobicContact CD2-CB 4.34Å; L320-A326 WeakPolarHBondContact O-CB 3.46Å; L320-V329 HydrophobicContact CB-CG2 4.49Å; L320-V329 HydrophobicContact CD1-CG1 4.19Å; L320-V329 HydrophobicContact CD1-CG2 4.16Å
321	R	94.1	Very high	92.1	Very high	181 Å²	181	69.5 Å²	69.5	68%	0.683	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	135	-178.6	-172.5	179.7	-179.8	177.9	3	109.9	R317 T318 Y319 S323	R317-R321 PolarHBondContact O-N 2.97Å; T318-R321 VanDerWaalsContact O-CB 3.24Å; T318-R321 WeakPolarHBondContact O-CB 3.38Å; T318-R321 PolarHBondContact O-N 2.79Å; Y319-R321 PolarHBondContact O-N 2.86Å; R321-S323 PolarHBondContact O-N 3.34Å
322	N	92.3	Very high	92.2	Very high	153 Å²	153	75.8 Å²	75.8	82%	0.818	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	13.3	-177	-43.7	-45.1	0	0	0	115	L320	L320-N322 PolarHBondContact O-N 2.6Å
323	S	94.7	Very high	92.2	Very high	15 Å²	15	71.3 Å²	71.3	11%	0.105	35%	0.348	C	S	.	.	S	Bend	trans	-100.6	160.6	167.3	81.4	0	0	0	0	111.3	E288 L320 R321 A325 A326	E288-S323 WeakPolarHBondContact OE2-CB 3.43Å; L320-S323 PolarHBondContact O-N 2.79Å; L320-S323 VanDerWaalsContact O-N 3.13Å; L320-S323 PolarHBondContact O-OG 3.03Å; R321-S323 PolarHBondContact O-N 3.34Å; S323-A325 PolarHBondContact O-N 2.91Å; S323-A325 VanDerWaalsContact O-N 3.14Å; S323-A325 PolarHBondContact OG-N 2.8Å; S323-A326 VanDerWaalsContact O-CB 3.22Å; S323-A326 WeakPolarHBondContact O-CB 3.45Å; S323-A326 PolarHBondContact O-N 3.41Å
324	P	93.4	Very high	92.3	Very high	87 Å²	87	74.4 Å²	74.4	57%	0.565	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-52	-29.2	169.6	-28.3	35.3	0	0	0	114.1	T284 E288 A326	T284-P324 HydrophobicContact CG2-CB 4.36Å; E288-P324 WeakPolarHBondContact OE1-CD 3.32Å; P324-A326 VanDerWaalsContact C-N 3.26Å; P324-A326 PolarHBondContact O-N 3.2Å
325	A	95.3	Very high	92.2	Very high	0 Å²	0	77.7 Å²	77.7	0%	0	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-73.1	-12.6	178.5	0	0	0	0	0	114	T284 I285 E288 L320 S323 N327 L328	T284-A325 HydrophobicContact CG2-CB 4.1Å; I285-A325 HydrophobicContact CG1-CB 4.07Å; E288-A325 HydrophobicContact CB-CB 4Å; E288-A325 HydrophobicContact CG-CB 3.91Å; L320-A325 HydrophobicContact CD1-CB 3.98Å; L320-A325 HydrophobicContact CD2-CB 4.34Å; S323-A325 PolarHBondContact O-N 2.91Å; S323-A325 VanDerWaalsContact O-N 3.14Å; S323-A325 PolarHBondContact OG-N 2.8Å; A325-N327 VanDerWaalsContact C-N 3.27Å; A325-N327 PolarHBondContact O-N 2.78Å; A325-L328 WeakPolarHBondContact O-CB 3.31Å; A325-L328 PolarHBondContact O-N 3.09Å
326	A	94.7	Very high	92.1	Very high	26 Å²	26	73.2 Å²	73.2	22%	0.215	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-56.9	-40.1	-177.4	0	0	0	0	0	112.7	L320 S323 P324 L328 V329 E330	L320-A326 WeakPolarHBondContact O-CB 3.46Å; S323-A326 VanDerWaalsContact O-CB 3.22Å; S323-A326 WeakPolarHBondContact O-CB 3.45Å; S323-A326 PolarHBondContact O-N 3.41Å; P324-A326 VanDerWaalsContact C-N 3.26Å; P324-A326 PolarHBondContact O-N 3.2Å; A326-L328 PolarHBondContact O-N 3.43Å; A326-V329 WeakPolarHBondContact O-CG2 3.39Å; A326-V329 PolarHBondContact O-N 3.12Å; A326-E330 PolarHBondContact O-N 3.27Å
327	N	93.4	Very high	92	Very high	117 Å²	117	73.2 Å²	73.2	63%	0.626	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-68.9	-24.1	-179.9	-65.2	-17.6	0	0	0	112.5	A325 V329 I333	A325-N327 VanDerWaalsContact C-N 3.27Å; A325-N327 PolarHBondContact O-N 2.78Å; N327-V329 VanDerWaalsContact C-N 3.28Å; N327-I333 WeakPolarHBondContact O-CD1 3.4Å
328	L	93.6	Very high	91.8	Very high	28 Å²	28	72.7 Å²	72.7	15%	0.147	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-80.9	-12.2	-179.4	-58.1	174.9	0	0	0	112.8	F277 T284 I285 A325 A326 A337 I340	F277-L328 HydrophobicContact CE2-CD2 4.46Å; T284-L328 HydrophobicContact CG2-CD1 4.04Å; I285-L328 HydrophobicContact CD1-CB 4.16Å; I285-L328 HydrophobicContact CG1-CB 4.32Å; I285-L328 HydrophobicContact CG1-CD1 4.24Å; A325-L328 WeakPolarHBondContact O-CB 3.31Å; A325-L328 PolarHBondContact O-N 3.09Å; A326-L328 PolarHBondContact O-N 3.43Å; L328-A337 WeakPolarHBondContact O-CB 3.42Å; L328-I340 HydrophobicContact CB-CD1 4.36Å
329	V	91.7	Very high	91.6	Very high	1 Å²	1	69 Å²	69	1%	0.006	34%	0.338	C	S	.	.	S	Bend	trans	-118.8	4.7	179	-64.4	0	0	0	0	112.7	I285 I313 L316 R317 L320 A326 N327	I285-V329 HydrophobicContact CD1-CG1 3.82Å; I285-V329 HydrophobicContact CG1-CG1 4.42Å; I313-V329 HydrophobicContact CD1-CB 4.26Å; I313-V329 HydrophobicContact CD1-CG1 4.21Å; L316-V329 HydrophobicContact CD2-CG1 4.17Å; L316-V329 HydrophobicContact CG-CG1 4.35Å; R317-V329 HydrophobicContact CB-CG2 4.37Å; R317-V329 WeakPolarHBondContact CD-O 3.47Å; R317-V329 HydrophobicContact CG-CB 4.01Å; R317-V329 HydrophobicContact CG-CG2 3.88Å; R317-V329 WeakPolarHBondContact CG-O 3.39Å; R317-V329 PolarHBondContact NE-O 3.27Å; L320-V329 HydrophobicContact CB-CG2 4.49Å; L320-V329 HydrophobicContact CD1-CG1 4.19Å; L320-V329 HydrophobicContact CD1-CG2 4.16Å; A326-V329 WeakPolarHBondContact O-CG2 3.39Å; A326-V329 PolarHBondContact O-N 3.12Å; N327-V329 VanDerWaalsContact C-N 3.28Å
330	E	91.4	Very high	91.5	Very high	76 Å²	76	66 Å²	66	36%	0.355	33%	0.326	S	S	.	.			trans	-56.2	147.9	-175.3	-165.9	-176.6	179.4	0	0	112.7	A326 K332 I333	A326-E330 PolarHBondContact O-N 3.27Å; E330-K332 VanDerWaalsContact C-N 3.27Å; E330-K332 PolarHBondContact O-N 3.26Å; E330-K332 IonicContact OE1-NZ 3.48Å; E330-K332 PolarHBondContact OE1-NZ 3.05Å; E330-I333 HydrophobicContact CB-CG1 4.22Å; E330-I333 CarbonylContact O-C 3.55Å; E330-I333 WeakPolarHBondContact O-CG1 3.4Å; E330-I333 PolarHBondContact O-N 3Å; E330-I333 VanDerWaalsContact O-N 3.12Å
331	E	87.1	Confident	91.3	Very high	142 Å²	142	66.4 Å²	66.4	66%	0.664	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-57.4	-36.9	179.2	-172.3	174.7	-179.5	0	0	113.2	I333 E334	E331-I333 PolarHBondContact O-N 3.02Å; E331-I333 VanDerWaalsContact O-N 3.16Å; E331-E334 WeakPolarHBondContact O-CB 3.31Å; E331-E334 PolarHBondContact O-N 2.96Å
332	K	90.1	Very high	91.1	Very high	176 Å²	176	59.3 Å²	59.3	77%	0.765	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-63.8	-21.6	179.3	-65.8	177.3	-172.7	156.1	0	113.8	E330	E330-K332 VanDerWaalsContact C-N 3.27Å; E330-K332 PolarHBondContact O-N 3.26Å; E330-K332 IonicContact OE1-NZ 3.48Å; E330-K332 PolarHBondContact OE1-NZ 3.05Å
333	I	87.8	Confident	91	Very high	55 Å²	55	53.4 Å²	53.4	28%	0.282	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-116.7	30.5	-179.8	65.2	158.6	0	0	0	111.6	N327 E330 E331 K335 T336 A337	N327-I333 WeakPolarHBondContact O-CD1 3.4Å; E330-I333 HydrophobicContact CB-CG1 4.22Å; E330-I333 CarbonylContact O-C 3.55Å; E330-I333 WeakPolarHBondContact O-CG1 3.4Å; E330-I333 PolarHBondContact O-N 3Å; E330-I333 VanDerWaalsContact O-N 3.12Å; E331-I333 PolarHBondContact O-N 3.02Å; E331-I333 VanDerWaalsContact O-N 3.16Å; I333-K335 VanDerWaalsContact C-N 3.32Å; I333-K335 PolarHBondContact O-N 3.22Å; I333-T336 CarbonylContact O-C 3.59Å; I333-T336 WeakPolarHBondContact O-CA 3.37Å; I333-T336 VanDerWaalsContact O-CB 3.31Å; I333-T336 WeakPolarHBondContact O-CB 3.49Å; I333-T336 PolarHBondContact O-N 3.14Å; I333-A337 PolarHBondContact O-N 2.88Å
334	E	88.3	Confident	90.9	Very high	74 Å²	74	52.7 Å²	52.7	35%	0.346	27%	0.272	S	S	.	.	H	α-helix	trans	-51.3	-44.4	-172.3	178.3	159.3	-112.3	0	0	114.3	R317 E331 T336 A337 I338	R317-E334 IonicContact CZ-OE1 2.67Å; R317-E334 IonicContact NH1-OE1 3.78Å; R317-E334 IonicContact NH2-OE1 3.69Å; R317-E334 PolarHBondContact NH2-OE1 3.23Å; E331-E334 WeakPolarHBondContact O-CB 3.31Å; E331-E334 PolarHBondContact O-N 2.96Å; E334-T336 VanDerWaalsContact C-N 3.33Å; E334-T336 PolarHBondContact O-N 2.79Å; E334-A337 PolarHBondContact O-N 3.35Å; E334-I338 HydrophobicContact CG-CD1 4.05Å; E334-I338 VanDerWaalsContact O-CG1 3.28Å; E334-I338 WeakPolarHBondContact O-CG1 3.29Å; E334-I338 PolarHBondContact O-N 2.95Å
335	K	88.7	Confident	90.8	Very high	155 Å²	155	48.7 Å²	48.7	67%	0.674	25%	0.246	S	C	*	.	H	α-helix	trans	-60.8	-41	175.9	-66.3	-174.5	178.7	-176.3	0	112.4	I333 I338 S339	I333-K335 VanDerWaalsContact C-N 3.32Å; I333-K335 PolarHBondContact O-N 3.22Å; K335-I338 PolarHBondContact O-N 3.02Å; K335-S339 PolarHBondContact O-N 2.98Å; K335-S339 VanDerWaalsContact O-N 3.1Å; K335-S339 PolarHBondContact O-OG 3.45Å
336	T	90.1	Very high	90.6	Very high	45 Å²	45	52.9 Å²	52.9	28%	0.276	27%	0.269	S	S	.	.	H	α-helix	trans	-67.1	-43.1	176	-48.6	0	0	0	0	110.8	F277 W278 I333 E334 I338 S339 I340	F277-T336 HydrophobicContact CE1-CG2 3.91Å; F277-T336 HydrophobicContact CZ-CG2 4.13Å; W278-T336 HydrophobicContact CH2-CG2 4.04Å; W278-T336 HydrophobicContact CZ3-CG2 3.8Å; I333-T336 CarbonylContact O-C 3.59Å; I333-T336 WeakPolarHBondContact O-CA 3.37Å; I333-T336 VanDerWaalsContact O-CB 3.31Å; I333-T336 WeakPolarHBondContact O-CB 3.49Å; I333-T336 PolarHBondContact O-N 3.14Å; E334-T336 VanDerWaalsContact C-N 3.33Å; E334-T336 PolarHBondContact O-N 2.79Å; T336-I338 VanDerWaalsContact C-N 3.33Å; T336-I338 PolarHBondContact O-N 3.44Å; T336-S339 WeakPolarHBondContact O-CB 3.04Å; T336-S339 PolarHBondContact O-N 3.02Å; T336-S339 VanDerWaalsContact O-N 3.11Å; T336-I340 HydrophobicContact CG2-CD1 4.09Å; T336-I340 WeakPolarHBondContact O-CG1 3.38Å; T336-I340 PolarHBondContact O-N 2.94Å
337	A	90.4	Very high	90.5	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-39	176.7	0	0	0	0	0	112.3	I313 L328 I333 E334 S339 R341	I313-A337 HydrophobicContact CD1-CB 4.02Å; I313-A337 HydrophobicContact CG1-CB 4.38Å; L328-A337 WeakPolarHBondContact O-CB 3.42Å; I333-A337 PolarHBondContact O-N 2.88Å; E334-A337 PolarHBondContact O-N 3.35Å; A337-S339 VanDerWaalsContact C-N 3.34Å; A337-R341 WeakPolarHBondContact O-CB 3.35Å; A337-R341 PolarHBondContact O-N 3.36Å
338	I	88.3	Confident	90.5	Very high	29 Å²	29	48 Å²	48	15%	0.149	24%	0.236	C	C	.	.	H	α-helix	trans	-61	-45.1	172.5	-69.2	164.6	0	0	0	110.3	E334 K335 T336 R341 A342 E595	E334-I338 HydrophobicContact CG-CD1 4.05Å; E334-I338 VanDerWaalsContact O-CG1 3.28Å; E334-I338 WeakPolarHBondContact O-CG1 3.29Å; E334-I338 PolarHBondContact O-N 2.95Å; K335-I338 PolarHBondContact O-N 3.02Å; T336-I338 VanDerWaalsContact C-N 3.33Å; T336-I338 PolarHBondContact O-N 3.44Å; I338-R341 PolarHBondContact O-N 2.67Å; I338-A342 PolarHBondContact O-N 3.16Å; I338-E595 HydrophobicContact CG2-CG 4.27Å
339	S	89.5	Confident	90.4	Very high	24 Å²	24	49.4 Å²	49.4	17%	0.168	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-44.3	179.3	-55.5	0	0	0	0	112.4	K335 T336 A337 R341 A342 V343	K335-S339 PolarHBondContact O-N 2.98Å; K335-S339 VanDerWaalsContact O-N 3.1Å; K335-S339 PolarHBondContact O-OG 3.45Å; T336-S339 WeakPolarHBondContact O-CB 3.04Å; T336-S339 PolarHBondContact O-N 3.02Å; T336-S339 VanDerWaalsContact O-N 3.11Å; A337-S339 VanDerWaalsContact C-N 3.34Å; S339-R341 VanDerWaalsContact C-N 3.3Å; S339-R341 PolarHBondContact O-N 2.92Å; S339-A342 WeakPolarHBondContact O-CB 3.3Å; S339-A342 PolarHBondContact O-N 3.13Å; S339-A342 VanDerWaalsContact O-N 3.15Å; S339-V343 PolarHBondContact O-N 3.1Å
340	I	91.8	Very high	90.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.6	-43.6	173.2	-66.7	162.9	0	0	0	110.4	F277 W278 I285 L328 T336 A342 V343 L344	F277-I340 HydrophobicContact CE1-CD1 4.22Å; F277-I340 HydrophobicContact CE1-CG1 4.4Å; F277-I340 HydrophobicContact CZ-CD1 4.05Å; W278-I340 HydrophobicContact CE3-CG1 3.85Å; W278-I340 HydrophobicContact CZ3-CG1 4.02Å; I285-I340 HydrophobicContact CD1-CG2 3.56Å; L328-I340 HydrophobicContact CB-CD1 4.36Å; T336-I340 HydrophobicContact CG2-CD1 4.09Å; T336-I340 WeakPolarHBondContact O-CG1 3.38Å; T336-I340 PolarHBondContact O-N 2.94Å; I340-A342 VanDerWaalsContact C-N 3.31Å; I340-A342 PolarHBondContact O-N 3.46Å; I340-V343 PolarHBondContact O-N 3.46Å; I340-L344 PolarHBondContact O-N 2.99Å
341	R	90.2	Very high	90.6	Very high	10 Å²	10	45.9 Å²	45.9	4%	0.038	23%	0.225	C	C	.	.	H	α-helix	trans	-66.5	-31.8	178.2	-173.9	171.6	58.6	-174.8	-8.9	112.5	L308 I311 A337 I338 S339 L344 T345 R592	L308-R341 WeakPolarHBondContact O-CD 3.3Å; I311-R341 PolarHBondContact O-NH1 3.38Å; A337-R341 WeakPolarHBondContact O-CB 3.35Å; A337-R341 PolarHBondContact O-N 3.36Å; I338-R341 PolarHBondContact O-N 2.67Å; S339-R341 VanDerWaalsContact C-N 3.3Å; S339-R341 PolarHBondContact O-N 2.92Å; R341-L344 WeakPolarHBondContact O-CB 3.4Å; R341-L344 PolarHBondContact O-N 3.4Å; R341-T345 WeakPolarHBondContact O-CB 3.37Å; R341-T345 PolarHBondContact O-N 3.44Å; R341-T345 PolarHBondContact O-OG1 2.94Å; R341-R592 VanDerWaalsContact NH2-CZ 3.27Å
342	A	89.9	Confident	90.8	Very high	31 Å²	31	40.6 Å²	40.6	26%	0.256	20%	0.199	S	C	.	.	H	α-helix	trans	-63	-44.3	172.8	0	0	0	0	0	111.2	I338 S339 I340 T345 N346	I338-A342 PolarHBondContact O-N 3.16Å; S339-A342 WeakPolarHBondContact O-CB 3.3Å; S339-A342 PolarHBondContact O-N 3.13Å; S339-A342 VanDerWaalsContact O-N 3.15Å; I340-A342 VanDerWaalsContact C-N 3.31Å; I340-A342 PolarHBondContact O-N 3.46Å; A342-T345 WeakPolarHBondContact O-CB 3.5Å; A342-T345 PolarHBondContact O-N 3.06Å; A342-N346 PolarHBondContact O-N 2.75Å
343	V	90.4	Very high	90.9	Very high	29 Å²	29	33.7 Å²	33.7	18%	0.176	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-45.9	173.5	175.4	0	0	0	0	111.3	W278 Q279 S339 I340 T345 N346 Y347	W278-V343 HydrophobicContact CB-CG2 4.14Å; Q279-V343 HydrophobicContact CG-CG1 4.35Å; S339-V343 PolarHBondContact O-N 3.1Å; I340-V343 PolarHBondContact O-N 3.46Å; V343-T345 VanDerWaalsContact C-N 3.26Å; V343-T345 PolarHBondContact O-N 3.49Å; V343-N346 WeakPolarHBondContact O-CB 3.5Å; V343-N346 PolarHBondContact O-N 3.44Å; V343-Y347 HydrophobicContact CG1-CE2 4.2Å; V343-Y347 VanDerWaalsContact O-CD2 3.31Å; V343-Y347 WeakPolarHBondContact O-CD2 3.46Å
344	L	91.9	Very high	91.3	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-55.6	-43.1	174.6	-174.7	69.6	0	0	0	111.8	I268 G282 I285 F286 L308 L309 I340 R341 N346 Y347 V348	I268-L344 HydrophobicContact CD1-CD1 3.75Å; G282-L344 VanDerWaalsContact O-CD1 3.31Å; G282-L344 WeakPolarHBondContact O-CD1 3.42Å; I285-L344 HydrophobicContact CG2-CD2 3.74Å; F286-L344 HydrophobicContact CB-CD1 4.01Å; L308-L344 HydrophobicContact CB-CD2 4.04Å; L308-L344 HydrophobicContact CD2-CD2 4.05Å; L308-L344 HydrophobicContact CG-CD2 4.46Å; L309-L344 HydrophobicContact CD2-CD2 4.39Å; L309-L344 HydrophobicContact CD2-CG 4.34Å; I340-L344 PolarHBondContact O-N 2.99Å; R341-L344 WeakPolarHBondContact O-CB 3.4Å; R341-L344 PolarHBondContact O-N 3.4Å; L344-N346 VanDerWaalsContact C-N 3.31Å; L344-N346 PolarHBondContact O-N 2.85Å; L344-Y347 PolarHBondContact O-N 3.33Å; L344-V348 HydrophobicContact CD1-CB 4.48Å; L344-V348 HydrophobicContact CD1-CG2 3.43Å; L344-V348 VanDerWaalsContact CD1-CG2 3.43Å; L344-V348 HydrophobicContact CG-CB 4.38Å; L344-V348 HydrophobicContact CG-CG2 3.82Å; L344-V348 VanDerWaalsContact O-CB 3.27Å; L344-V348 WeakPolarHBondContact O-CB 3.48Å; L344-V348 WeakPolarHBondContact O-CG2 3.34Å; L344-V348 PolarHBondContact O-N 3.14Å
345	T	92.2	Very high	91.4	Very high	3 Å²	3	28 Å²	28	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-59.2	-41	180	-59.3	0	0	0	0	111.6	L309 R341 A342 V343 Y347 K349 L589	L309-T345 HydrophobicContact CD1-CG2 4.44Å; R341-T345 WeakPolarHBondContact O-CB 3.37Å; R341-T345 PolarHBondContact O-N 3.44Å; R341-T345 PolarHBondContact O-OG1 2.94Å; A342-T345 WeakPolarHBondContact O-CB 3.5Å; A342-T345 PolarHBondContact O-N 3.06Å; V343-T345 VanDerWaalsContact C-N 3.26Å; V343-T345 PolarHBondContact O-N 3.49Å; T345-Y347 PolarHBondContact O-N 3Å; T345-K349 WeakPolarHBondContact O-CB 3.43Å; T345-K349 WeakPolarHBondContact O-CD 3.34Å; T345-K349 VanDerWaalsContact O-CG 3.23Å; T345-K349 WeakPolarHBondContact O-CG 3.08Å; T345-K349 PolarHBondContact O-N 3.47Å; T345-L589 HydrophobicContact CG2-CD2 3.41Å; T345-L589 VanDerWaalsContact CG2-CD2 3.41Å
346	N	90.7	Very high	91.5	Very high	88 Å²	88	21.8 Å²	21.8	47%	0.471	12%	0.12	S	C	.	.	H	α-helix	trans	-57.9	-34.5	-178	-71.3	-20.9	0	0	0	113.3	A342 V343 L344	A342-N346 PolarHBondContact O-N 2.75Å; V343-N346 WeakPolarHBondContact O-CB 3.5Å; V343-N346 PolarHBondContact O-N 3.44Å; L344-N346 VanDerWaalsContact C-N 3.31Å; L344-N346 PolarHBondContact O-N 2.85Å
347	Y	93	Very high	91.7	Very high	40 Å²	40	19.6 Å²	19.6	16%	0.157	11%	0.107	C	C	.	.	H	α-helix	trans	-101.9	-47	-176.1	-61.1	-71	0	0	0	113	I268 P269 V343 L344 T345 K349 A350 H431	I268-Y347 HydrophobicContact CB-CD2 4.27Å; I268-Y347 HydrophobicContact CB-CG 4.42Å; I268-Y347 HydrophobicContact CG1-CD2 4.27Å; I268-Y347 HydrophobicContact CG1-CG 4.24Å; I268-Y347 HydrophobicContact CG2-CD2 3.67Å; I268-Y347 HydrophobicContact CG2-CE2 3.94Å; I268-Y347 HydrophobicContact CG2-CG 4.3Å; P269-Y347 VanDerWaalsContact CD-CE1 3.5Å; P269-Y347 HydrophobicContact CG-CD1 4.47Å; P269-Y347 HydrophobicContact CG-CE1 3.77Å; V343-Y347 HydrophobicContact CG1-CE2 4.2Å; V343-Y347 VanDerWaalsContact O-CD2 3.31Å; V343-Y347 WeakPolarHBondContact O-CD2 3.46Å; L344-Y347 PolarHBondContact O-N 3.33Å; T345-Y347 PolarHBondContact O-N 3Å; Y347-K349 PolarHBondContact O-N 2.86Å; Y347-A350 WeakPolarHBondContact O-CB 3.42Å; Y347-A350 PolarHBondContact O-N 2.72Å; Y347-H431 AromaticContact CD1-CE1 3.9Å; Y347-H431 AromaticContact CE1-CE1 3.91Å
348	V	92.5	Very high	91.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.7	-22.6	-176.7	172.9	0	0	0	0	111.7	L267 F286 L308 L309 L344 A350 I351	L267-V348 HydrophobicContact CD2-CG2 4.18Å; F286-V348 HydrophobicContact CD2-CG2 3.86Å; F286-V348 HydrophobicContact CG-CG2 4.49Å; L308-V348 HydrophobicContact CD1-CG1 3.87Å; L309-V348 HydrophobicContact CD1-CG1 4.31Å; L309-V348 HydrophobicContact CD2-CB 4.41Å; L309-V348 HydrophobicContact CD2-CG1 4.36Å; L309-V348 HydrophobicContact CG-CG1 4.43Å; L344-V348 HydrophobicContact CD1-CB 4.48Å; L344-V348 HydrophobicContact CD1-CG2 3.43Å; L344-V348 VanDerWaalsContact CD1-CG2 3.43Å; L344-V348 HydrophobicContact CG-CB 4.38Å; L344-V348 HydrophobicContact CG-CG2 3.82Å; L344-V348 VanDerWaalsContact O-CB 3.27Å; L344-V348 WeakPolarHBondContact O-CB 3.48Å; L344-V348 WeakPolarHBondContact O-CG2 3.34Å; L344-V348 PolarHBondContact O-N 3.14Å; V348-A350 PolarHBondContact O-N 3.28Å; V348-I351 HydrophobicContact CG1-CD1 4.38Å; V348-I351 VanDerWaalsContact O-CB 3.31Å; V348-I351 WeakPolarHBondContact O-CB 3.24Å; V348-I351 PolarHBondContact O-N 2.96Å
349	K	91.9	Very high	91.8	Very high	57 Å²	57	28.4 Å²	28.4	25%	0.248	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-57.7	-21.5	175.1	73.7	-176.1	177.5	-176.7	0	113.4	L309 T345 Y347 I351 R352 L589 E593	L309-K349 HydrophobicContact CD1-CB 4.45Å; T345-K349 WeakPolarHBondContact O-CB 3.43Å; T345-K349 WeakPolarHBondContact O-CD 3.34Å; T345-K349 VanDerWaalsContact O-CG 3.23Å; T345-K349 WeakPolarHBondContact O-CG 3.08Å; T345-K349 PolarHBondContact O-N 3.47Å; Y347-K349 PolarHBondContact O-N 2.86Å; K349-I351 VanDerWaalsContact C-N 3.31Å; K349-R352 WeakPolarHBondContact O-CB 3.45Å; K349-R352 VanDerWaalsContact O-CD 3.29Å; K349-R352 WeakPolarHBondContact O-CD 3.41Å; K349-R352 WeakPolarHBondContact O-CG 3.46Å; K349-R352 PolarHBondContact O-N 2.85Å; K349-R352 PolarHBondContact O-NH1 3.2Å; K349-L589 HydrophobicContact CB-CD1 4.15Å; K349-L589 HydrophobicContact CB-CD2 4.16Å; K349-E593 IonicContact NZ-OE1 2.83Å; K349-E593 PolarHBondContact NZ-OE1 3.44Å; K349-E593 VanDerWaalsContact NZ-OE1 3.11Å
350	A	93.9	Very high	91.8	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.008	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-67.2	-29	172.8	0	0	0	0	0	113.2	Y347 V348 R352 Y353 S393 P396 V397	Y347-A350 WeakPolarHBondContact O-CB 3.42Å; Y347-A350 PolarHBondContact O-N 2.72Å; V348-A350 PolarHBondContact O-N 3.28Å; A350-R352 PolarHBondContact O-N 3.03Å; A350-Y353 VanDerWaalsContact O-CD2 3.31Å; A350-Y353 WeakPolarHBondContact O-CD2 3.45Å; A350-Y353 PolarHBondContact O-N 3.04Å; A350-S393 WeakPolarHBondContact CB-O 3.36Å; A350-P396 HydrophobicContact CB-CB 3.99Å; A350-P396 HydrophobicContact CB-CG 3.78Å; A350-V397 HydrophobicContact CB-CG2 3.78Å
351	I	94.5	Very high	91.7	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.015	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-65.7	-23.7	177.3	-68.2	179.4	0	0	0	111.3	L267 F286 Y301 V305 V348 K349 Y353 L354 V397	L267-I351 HydrophobicContact CD1-CD1 4.32Å; L267-I351 HydrophobicContact CD1-CG1 4.35Å; L267-I351 HydrophobicContact CD2-CD1 3.63Å; L267-I351 HydrophobicContact CD2-CG1 4.49Å; F286-I351 HydrophobicContact CD2-CD1 4.33Å; F286-I351 HydrophobicContact CE2-CD1 3.3Å; F286-I351 HydrophobicContact CZ-CD1 3.64Å; Y301-I351 HydrophobicContact CD1-CG2 3.76Å; Y301-I351 HydrophobicContact CG-CG2 4.43Å; V305-I351 HydrophobicContact CG2-CB 4.05Å; V305-I351 HydrophobicContact CG2-CG2 3.72Å; V348-I351 HydrophobicContact CG1-CD1 4.38Å; V348-I351 VanDerWaalsContact O-CB 3.31Å; V348-I351 WeakPolarHBondContact O-CB 3.24Å; V348-I351 PolarHBondContact O-N 2.96Å; K349-I351 VanDerWaalsContact C-N 3.31Å; I351-Y353 PolarHBondContact O-N 3.08Å; I351-Y353 VanDerWaalsContact O-N 3.14Å; I351-L354 HydrophobicContact CG1-CD1 4.47Å; I351-L354 HydrophobicContact CG2-CD1 4.22Å; I351-L354 VanDerWaalsContact O-CB 3.27Å; I351-L354 WeakPolarHBondContact O-CB 3.21Å; I351-L354 PolarHBondContact O-N 3.11Å; I351-V397 HydrophobicContact CG1-CG2 4.11Å
352	R	91	Very high	91.9	Very high	31 Å²	31	40.6 Å²	40.6	12%	0.117	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-56.6	-33.5	177.5	86.4	-171.8	-177.3	-124.9	15	112.9	V305 K349 A350 L354 Q355 E582 L585 L589	V305-R352 HydrophobicContact CG1-CB 4.34Å; V305-R352 HydrophobicContact CG2-CB 4.45Å; K349-R352 WeakPolarHBondContact O-CB 3.45Å; K349-R352 VanDerWaalsContact O-CD 3.29Å; K349-R352 WeakPolarHBondContact O-CD 3.41Å; K349-R352 WeakPolarHBondContact O-CG 3.46Å; K349-R352 PolarHBondContact O-N 2.85Å; K349-R352 PolarHBondContact O-NH1 3.2Å; A350-R352 PolarHBondContact O-N 3.03Å; R352-L354 PolarHBondContact O-N 3.07Å; R352-Q355 WeakPolarHBondContact O-CB 3.37Å; R352-Q355 WeakPolarHBondContact O-CG 3.21Å; R352-Q355 PolarHBondContact O-N 2.86Å; R352-Q355 VanDerWaalsContact O-N 3.1Å; R352-E582 IonicContact CZ-OE1 3.48Å; R352-E582 IonicContact NE-OE1 2.76Å; R352-E582 PolarHBondContact NE-OE1 3.39Å; R352-E582 IonicContact NE-OE2 3.39Å; R352-E582 IonicContact NH2-OE1 3.2Å; R352-E582 PolarHBondContact NH2-OE1 2.95Å; R352-L585 HydrophobicContact CB-CD2 3.33Å; R352-L585 HydrophobicContact CG-CD2 4.01Å; R352-L589 VanDerWaalsContact NH1-CD1 3.31Å
353	Y	92.8	Very high	92.2	Very high	30 Å²	30	41.8 Å²	41.8	12%	0.118	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-71.1	-11.5	179.5	-57.6	-64.8	0	0	0	112.9	P240 L241 A350 I351 Q355 L394 R575 I577	P240-Y353 VanDerWaalsContact CB-O 3.24Å; P240-Y353 WeakPolarHBondContact CB-O 3.26Å; L241-Y353 HydrophobicContact CD2-CD1 3.69Å; L241-Y353 HydrophobicContact CD2-CE1 4.43Å; L241-Y353 HydrophobicContact CD2-CG 4.08Å; A350-Y353 VanDerWaalsContact O-CD2 3.31Å; A350-Y353 WeakPolarHBondContact O-CD2 3.45Å; A350-Y353 PolarHBondContact O-N 3.04Å; I351-Y353 PolarHBondContact O-N 3.08Å; I351-Y353 VanDerWaalsContact O-N 3.14Å; Y353-Q355 VanDerWaalsContact C-N 3.28Å; Y353-L394 HydrophobicContact CD2-CD2 3.61Å; Y353-L394 HydrophobicContact CE2-CD2 4.35Å; Y353-L394 HydrophobicContact CG-CD2 3.95Å; Y353-R575 PolarHBondContact O-NH2 2.76Å; Y353-I577 HydrophobicContact CD1-CD1 4.49Å
354	L	94.5	Very high	92.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-79.7	-10.2	172.2	-61.2	171.2	0	0	0	112.4	P240 W248 Y301 I351 R352 G356 I357 V397 W401	P240-L354 HydrophobicContact CB-CD2 3.92Å; P240-L354 HydrophobicContact CG-CD2 3.65Å; P240-L354 HydrophobicContact CG-CG 4.39Å; W248-L354 HydrophobicContact CE3-CD1 4.26Å; W248-L354 HydrophobicContact CZ3-CD1 4.05Å; Y301-L354 HydrophobicContact CD1-CB 4.08Å; Y301-L354 HydrophobicContact CD1-CD1 4.1Å; Y301-L354 HydrophobicContact CD2-CB 3.52Å; Y301-L354 WeakPolarHBondContact CD2-O 3.44Å; Y301-L354 HydrophobicContact CE1-CB 4.36Å; Y301-L354 HydrophobicContact CE1-CD1 3.86Å; Y301-L354 HydrophobicContact CE2-CB 3.86Å; Y301-L354 HydrophobicContact CG-CB 3.66Å; I351-L354 HydrophobicContact CG1-CD1 4.47Å; I351-L354 HydrophobicContact CG2-CD1 4.22Å; I351-L354 VanDerWaalsContact O-CB 3.27Å; I351-L354 WeakPolarHBondContact O-CB 3.21Å; I351-L354 PolarHBondContact O-N 3.11Å; R352-L354 PolarHBondContact O-N 3.07Å; L354-G356 PolarHBondContact O-N 2.86Å; L354-I357 HydrophobicContact CB-CD1 3.95Å; L354-I357 HydrophobicContact CD2-CD1 3.55Å; L354-I357 HydrophobicContact CG-CD1 4.33Å; L354-I357 VanDerWaalsContact O-CG1 3.23Å; L354-I357 WeakPolarHBondContact O-CG1 3.35Å; L354-I357 WeakPolarHBondContact O-CG2 3.44Å; L354-I357 PolarHBondContact O-N 3.22Å; L354-I357 VanDerWaalsContact O-N 3.14Å; L354-V397 HydrophobicContact CD1-CG1 4.22Å; L354-V397 HydrophobicContact CD1-CG2 4.43Å; L354-V397 HydrophobicContact CD2-CG1 4.16Å; L354-V397 HydrophobicContact CG-CG1 4.47Å; L354-W401 HydrophobicContact CD2-CH2 3.81Å; L354-W401 HydrophobicContact CD2-CZ2 3.46Å; L354-W401 VanDerWaalsContact CD2-CZ2 3.46Å
355	Q	91	Very high	92.8	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.037	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	133.6	-178.9	70.2	-171.9	-20.6	0	0	112.4	S302 R352 Y353 I357 R575 I577 M581 E582	S302-Q355 WeakPolarHBondContact OG-CB 3.27Å; S302-Q355 PolarHBondContact OG-OE1 3.35Å; R352-Q355 WeakPolarHBondContact O-CB 3.37Å; R352-Q355 WeakPolarHBondContact O-CG 3.21Å; R352-Q355 PolarHBondContact O-N 2.86Å; R352-Q355 VanDerWaalsContact O-N 3.1Å; Y353-Q355 VanDerWaalsContact C-N 3.28Å; Q355-I357 VanDerWaalsContact C-N 3.26Å; Q355-I357 PolarHBondContact O-N 2.65Å; Q355-R575 VanDerWaalsContact O-CZ 3.29Å; Q355-R575 PolarHBondContact O-NH1 3.44Å; Q355-R575 PolarHBondContact O-NH2 3.02Å; Q355-I577 HydrophobicContact CG-CG2 4.28Å; Q355-M581 HydrophobicContact CG-CE 4.47Å; Q355-E582 PolarHBondContact NE2-OE2 3.4Å
356	G	90.3	Very high	93.1	Very high	25 Å²	25	41.6 Å²	41.6	26%	0.258	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	-9.6	177.7	0	0	0	0	0	114.6	L354 E358 H359	L354-G356 PolarHBondContact O-N 2.86Å; G356-E358 VanDerWaalsContact CA-OE2 3.28Å; G356-E358 WeakPolarHBondContact CA-OE2 3.16Å; G356-E358 PolarHBondContact N-OE2 3.2Å; G356-E358 PolarHBondContact O-N 2.87Å; G356-H359 PolarHBondContact O-N 2.77Å; G356-H359 VanDerWaalsContact O-N 3.11Å
357	I	94.1	Very high	93.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-66.1	-20.7	174.3	76.5	-176	0	0	0	111.2	A247 W248 Y301 L354 Q355 H359 N360 R575	A247-I357 VanDerWaalsContact CA-O 3.29Å; A247-I357 WeakPolarHBondContact CA-O 3.46Å; A247-I357 WeakPolarHBondContact CB-O 3.5Å; W248-I357 HydrophobicContact CB-CD1 4.36Å; Y301-I357 HydrophobicContact CD2-CD1 4.49Å; Y301-I357 HydrophobicContact CD2-CG1 4.29Å; Y301-I357 HydrophobicContact CE2-CD1 3.84Å; Y301-I357 HydrophobicContact CE2-CG1 3.85Å; L354-I357 HydrophobicContact CB-CD1 3.95Å; L354-I357 HydrophobicContact CD2-CD1 3.55Å; L354-I357 HydrophobicContact CG-CD1 4.33Å; L354-I357 VanDerWaalsContact O-CG1 3.23Å; L354-I357 WeakPolarHBondContact O-CG1 3.35Å; L354-I357 WeakPolarHBondContact O-CG2 3.44Å; L354-I357 PolarHBondContact O-N 3.22Å; L354-I357 VanDerWaalsContact O-N 3.14Å; Q355-I357 VanDerWaalsContact C-N 3.26Å; Q355-I357 PolarHBondContact O-N 2.65Å; I357-H359 PolarHBondContact O-N 3.01Å; I357-N360 WeakPolarHBondContact O-CB 3.4Å; I357-N360 PolarHBondContact O-N 3.23Å; I357-R575 VanDerWaalsContact CG2-CZ 3.45Å
358	E	91.1	Very high	93.4	Very high	53 Å²	53	40.6 Å²	40.6	25%	0.248	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-58.6	-17.8	173.8	-53.5	97.7	137.2	0	0	112.3	S300 Y301 G356	S300-E358 WeakPolarHBondContact CA-OE1 3.42Å; Y301-E358 HydrophobicContact CD2-CG 4.03Å; Y301-E358 WeakPolarHBondContact CD2-OE1 3.27Å; Y301-E358 HydrophobicContact CE2-CG 4.07Å; Y301-E358 PolarHBondContact N-OE1 2.83Å; G356-E358 VanDerWaalsContact CA-OE2 3.28Å; G356-E358 WeakPolarHBondContact CA-OE2 3.16Å; G356-E358 PolarHBondContact N-OE2 3.2Å; G356-E358 PolarHBondContact O-N 2.87Å
359	H	89.8	Confident	93.6	Very high	162 Å²	162	42.4 Å²	42.4	75%	0.75	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-101.4	1.7	178.4	-52.9	-46.5	0	0	0	113.6	G356 I357 G361	G356-H359 PolarHBondContact O-N 2.77Å; G356-H359 VanDerWaalsContact O-N 3.11Å; I357-H359 PolarHBondContact O-N 3.01Å; H359-G361 PolarHBondContact O-N 2.78Å; H359-G361 VanDerWaalsContact O-N 3.09Å
360	N	90.1	Very high	93.8	Very high	69 Å²	69	39.7 Å²	39.7	37%	0.369	21%	0.209	S	C	.	.	S	Bend	trans	-75.2	9.2	-178.8	-72.8	2.2	0	0	0	114	C245 A247 I357	C245-N360 PolarHBondContact O-ND2 3.34Å; A247-N360 HydrophobicContact CB-CB 4.18Å; I357-N360 WeakPolarHBondContact O-CB 3.4Å; I357-N360 PolarHBondContact O-N 3.23Å
361	G	90.6	Very high	93.7	Very high	47 Å²	47	46 Å²	46	49%	0.485	23%	0.233	S	C	.	.	S	Bend	trans	121.4	-143.7	179.1	0	0	0	0	0	112.5	H359	H359-G361 PolarHBondContact O-N 2.78Å; H359-G361 VanDerWaalsContact O-N 3.09Å
362	E	93.6	Very high	93.5	Very high	173 Å²	173	47.9 Å²	47.9	81%	0.808	25%	0.253	S	S	*	.	S	Bend	trans	-65.8	134	-178.6	-71.8	-58.2	134.3	0	0	111.9	F364	E362-F364 PolarHBondContact O-N 2.83Å
363	P	95.7	Very high	93.4	Very high	57 Å²	57	47.6 Å²	47.6	37%	0.37	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	134.2	177.4	-29.6	39	0	0	0	112.4	A247 D249 K252	A247-P363 WeakPolarHBondContact O-CA 3.21Å; D249-P363 HydrophobicContact CB-CB 4.29Å; K252-P363 HydrophobicContact CD-CB 3.87Å
364	F	97.4	Very high	93.1	Very high	20 Å²	20	52.7 Å²	52.7	9%	0.088	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.4	-178.3	176.6	-101.2	0	0	0	110.6	K236 L238 A246 A247 W248 D249 E362 I366 W369 L382	K236-F364 HydrophobicContact CB-CE2 4.31Å; K236-F364 HydrophobicContact CB-CZ 4.31Å; K236-F364 HydrophobicContact CD-CE2 4.5Å; K236-F364 HydrophobicContact CG-CD2 4.39Å; K236-F364 HydrophobicContact CG-CE2 3.84Å; K236-F364 HydrophobicContact CG-CZ 4.32Å; L238-F364 HydrophobicContact CD1-CE1 4.19Å; L238-F364 HydrophobicContact CD2-CD1 4.1Å; L238-F364 HydrophobicContact CD2-CE1 4.1Å; L238-F364 HydrophobicContact CG-CE1 4.34Å; A246-F364 HydrophobicContact CB-CB 3.93Å; A246-F364 HydrophobicContact CB-CD1 3.81Å; A246-F364 HydrophobicContact CB-CD2 4.46Å; A246-F364 HydrophobicContact CB-CE1 4.47Å; A246-F364 HydrophobicContact CB-CG 3.8Å; A247-F364 PolarHBondContact O-N 3.29Å; W248-F364 VanDerWaalsContact CA-O 3.29Å; W248-F364 WeakPolarHBondContact CA-O 3.05Å; W248-F364 HydrophobicContact CB-CD1 4.41Å; D249-F364 PolarHBondContact N-O 2.96Å; E362-F364 PolarHBondContact O-N 2.83Å; F364-I366 HydrophobicContact CE1-CG1 3.99Å; F364-W369 HydrophobicContact CE2-CB 3.56Å; F364-W369 AromaticContact CE2-CD1 3.78Å; F364-W369 HydrophobicContact CE2-CD2 4.48Å; F364-W369 AromaticContact CE2-CG 3.65Å; F364-W369 HydrophobicContact CE2-CG 3.65Å; F364-W369 HydrophobicContact CZ-CB 3.86Å; F364-W369 HydrophobicContact CZ-CD2 4.34Å; F364-W369 AromaticContact CZ-CG 3.9Å; F364-W369 HydrophobicContact CZ-CG 3.9Å; F364-L382 HydrophobicContact CE1-CD1 4.11Å; F364-L382 HydrophobicContact CZ-CD1 3.91Å
365	T	97.8	Very high	92.6	Very high	8 Å²	8	57.5 Å²	57.5	5%	0.049	30%	0.296	C	S	.	.			trans	-131.9	140.2	168	69.7	0	0	0	0	108.4	K252 E253 R367 D368 W369	K252-T365 HydrophobicContact CB-CG2 3.62Å; E253-T365 HydrophobicContact CB-CG2 4.44Å; E253-T365 WeakPolarHBondContact OE2-CA 3.38Å; E253-T365 WeakPolarHBondContact OE2-CB 3.34Å; T365-R367 VanDerWaalsContact C-N 3.32Å; T365-D368 WeakPolarHBondContact OG1-CB 3.35Å; T365-D368 PolarHBondContact OG1-N 3.25Å; T365-D368 VanDerWaalsContact OG1-N 3.08Å; T365-D368 PolarHBondContact OG1-OD2 3.39Å; T365-W369 WeakPolarHBondContact O-CB 3.31Å; T365-W369 PolarHBondContact O-N 2.79Å; T365-W369 VanDerWaalsContact O-N 3.09Å
366	I	97.9	Very high	92.2	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.7	-42.7	174.8	-61.3	173.4	0	0	0	108.6	L238 E253 F364 D368 W369 M370 L382 W401 I404 A405	L238-I366 HydrophobicContact CD1-CD1 3.73Å; L238-I366 HydrophobicContact CD1-CG1 3.98Å; E253-I366 PolarHBondContact OE2-N 3.15Å; F364-I366 HydrophobicContact CE1-CG1 3.99Å; I366-D368 PolarHBondContact O-N 3.44Å; I366-W369 PolarHBondContact O-N 2.99Å; I366-M370 HydrophobicContact CG2-CG 4.17Å; I366-M370 HydrophobicContact CG2-SD 3.87Å; I366-M370 WeakPolarHBondContact O-CB 3.45Å; I366-M370 VanDerWaalsContact O-CG 3.28Å; I366-M370 WeakPolarHBondContact O-CG 3.2Å; I366-M370 PolarHBondContact O-N 2.82Å; I366-L382 HydrophobicContact CD1-CD2 4.44Å; I366-L382 HydrophobicContact CG1-CD2 4.14Å; I366-L382 HydrophobicContact CG2-CD2 4.24Å; I366-W401 HydrophobicContact CD1-CB 3.89Å; I366-W401 HydrophobicContact CD1-CG 4.16Å; I366-W401 WeakPolarHBondContact CD1-O 3.39Å; I366-I404 HydrophobicContact CB-CG2 3.85Å; I366-I404 HydrophobicContact CD1-CB 4.21Å; I366-I404 HydrophobicContact CD1-CG2 4.09Å; I366-I404 HydrophobicContact CG1-CG2 4.49Å; I366-I404 HydrophobicContact CG2-CG2 4.12Å; I366-A405 HydrophobicContact CG2-CB 3.8Å
367	R	95.5	Very high	92	Very high	31 Å²	31	66.9 Å²	66.9	12%	0.117	34%	0.337	C	S	.	.	H	α-helix	trans	-55.3	-53.2	177.4	-178.4	-162	69.9	-127.5	-1.7	112.9	K252 E253 T365 W369 M370 R371	K252-R367 VanDerWaalsContact O-CZ 3.32Å; K252-R367 PolarHBondContact O-NH1 3.48Å; K252-R367 PolarHBondContact O-NH2 2.91Å; E253-R367 VanDerWaalsContact C-NH1 3.31Å; E253-R367 PolarHBondContact O-NH1 3.4Å; E253-R367 WeakPolarHBondContact OE1-CB 3.32Å; E253-R367 PolarHBondContact OE1-N 2.81Å; T365-R367 VanDerWaalsContact C-N 3.32Å; R367-W369 VanDerWaalsContact C-N 3.35Å; R367-M370 PolarHBondContact O-N 2.83Å; R367-R371 WeakPolarHBondContact O-CB 3.44Å; R367-R371 WeakPolarHBondContact O-CG 3.43Å; R367-R371 PolarHBondContact O-N 2.86Å
368	D	95.3	Very high	91.9	Very high	76 Å²	76	72 Å²	72	41%	0.406	36%	0.36	S	S	.	.	H	α-helix	trans	-73.4	-33.2	-175.9	-56.4	-33	0	0	0	110.9	T365 I366 R371 G372	T365-D368 WeakPolarHBondContact OG1-CB 3.35Å; T365-D368 PolarHBondContact OG1-N 3.25Å; T365-D368 VanDerWaalsContact OG1-N 3.08Å; T365-D368 PolarHBondContact OG1-OD2 3.39Å; I366-D368 PolarHBondContact O-N 3.44Å; D368-R371 PolarHBondContact O-N 2.89Å; D368-G372 PolarHBondContact O-N 2.89Å
369	W	96.3	Very high	92.1	Very high	38 Å²	38	70 Å²	70	14%	0.144	35%	0.351	C	S	.	.	H	α-helix	trans	-61	-45.8	172.3	176.5	78.9	0	0	0	112.2	M215 V217 F364 T365 I366 R367 G372 G380 L382	M215-W369 HydrophobicContact CE-CH2 4.48Å; M215-W369 HydrophobicContact CE-CZ2 4.49Å; M215-W369 HydrophobicContact CG-CH2 3.72Å; M215-W369 HydrophobicContact CG-CZ2 4.29Å; M215-W369 HydrophobicContact CG-CZ3 4.2Å; M215-W369 HydrophobicContact SD-CH2 4.12Å; M215-W369 HydrophobicContact SD-CZ3 4.05Å; V217-W369 HydrophobicContact CG2-CH2 4.28Å; V217-W369 HydrophobicContact CG2-CZ3 3.98Å; F364-W369 HydrophobicContact CE2-CB 3.56Å; F364-W369 AromaticContact CE2-CD1 3.78Å; F364-W369 HydrophobicContact CE2-CD2 4.48Å; F364-W369 AromaticContact CE2-CG 3.65Å; F364-W369 HydrophobicContact CE2-CG 3.65Å; F364-W369 HydrophobicContact CZ-CB 3.86Å; F364-W369 HydrophobicContact CZ-CD2 4.34Å; F364-W369 AromaticContact CZ-CG 3.9Å; F364-W369 HydrophobicContact CZ-CG 3.9Å; T365-W369 WeakPolarHBondContact O-CB 3.31Å; T365-W369 PolarHBondContact O-N 2.79Å; T365-W369 VanDerWaalsContact O-N 3.09Å; I366-W369 PolarHBondContact O-N 2.99Å; R367-W369 VanDerWaalsContact C-N 3.35Å; W369-G372 PolarHBondContact O-N 3.06Å; W369-G380 VanDerWaalsContact CZ2-O 3.29Å; W369-G380 WeakPolarHBondContact CZ2-O 3.37Å; W369-L382 HydrophobicContact CE3-CB 4.32Å; W369-L382 HydrophobicContact CE3-CD2 4.21Å; W369-L382 HydrophobicContact CH2-CB 3.41Å; W369-L382 VanDerWaalsContact CH2-CB 3.41Å; W369-L382 HydrophobicContact CZ2-CB 3.81Å; W369-L382 HydrophobicContact CZ3-CB 3.69Å; W369-L382 HydrophobicContact CZ3-CD2 4.02Å; W369-L382 HydrophobicContact CZ3-CG 4.49Å
370	M	95.7	Very high	92.3	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.2	-42.2	176.6	-70.6	-173.4	78.7	0	0	112.1	M215 I366 R367 G372 V373 A405 L409 M412 V420 F422	M215-M370 HydrophobicContact SD-CB 4.48Å; M215-M370 HydrophobicContact SD-CG 4.36Å; I366-M370 HydrophobicContact CG2-CG 4.17Å; I366-M370 HydrophobicContact CG2-SD 3.87Å; I366-M370 WeakPolarHBondContact O-CB 3.45Å; I366-M370 VanDerWaalsContact O-CG 3.28Å; I366-M370 WeakPolarHBondContact O-CG 3.2Å; I366-M370 PolarHBondContact O-N 2.82Å; R367-M370 PolarHBondContact O-N 2.83Å; M370-G372 PolarHBondContact O-N 3.45Å; M370-V373 WeakPolarHBondContact O-CB 3.35Å; M370-V373 PolarHBondContact O-N 3.45Å; M370-V373 VanDerWaalsContact O-N 3.12Å; M370-A405 VanDerWaalsContact CE-O 3.27Å; M370-A405 WeakPolarHBondContact CE-O 3.49Å; M370-A405 HydrophobicContact SD-CB 4.14Å; M370-L409 HydrophobicContact CE-CB 4.24Å; M370-M412 HydrophobicContact CB-CG 4.29Å; M370-M412 HydrophobicContact CB-SD 4.04Å; M370-M412 HydrophobicContact CE-SD 3.73Å; M370-M412 WeakPolarHBondContact O-CE 3.46Å; M370-V420 HydrophobicContact CE-CG1 4.18Å; M370-F422 HydrophobicContact CE-CZ 3.95Å
371	R	92.6	Very high	92.7	Very high	133 Å²	133	59.6 Å²	59.6	50%	0.502	30%	0.303	S	S	.	.	H	α-helix	trans	-62.9	-26.3	174.3	-75.8	178.5	175	175.3	0.9	113	R367 D368 V373	R367-R371 WeakPolarHBondContact O-CB 3.44Å; R367-R371 WeakPolarHBondContact O-CG 3.43Å; R367-R371 PolarHBondContact O-N 2.86Å; D368-R371 PolarHBondContact O-N 2.89Å; R371-V373 PolarHBondContact O-N 3.48Å
372	G	91	Very high	93.1	Very high	43 Å²	43	57.3 Å²	57.3	44%	0.443	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	11.3	174.5	0	0	0	0	0	114.9	D368 W369 M370 R374	D368-G372 PolarHBondContact O-N 2.89Å; W369-G372 PolarHBondContact O-N 3.06Å; M370-G372 PolarHBondContact O-N 3.45Å; G372-R374 PolarHBondContact O-N 2.79Å
373	V	88.7	Confident	93.3	Very high	25 Å²	25	49.1 Å²	49.1	15%	0.152	24%	0.242	C	C	.	.			trans	-51.8	134.3	175.7	67.6	0	0	0	0	111.2	M215 M370 R371 M412	M215-V373 HydrophobicContact CB-CG2 4.29Å; M215-V373 HydrophobicContact CE-CB 3.59Å; M215-V373 HydrophobicContact CE-CG2 3.88Å; M215-V373 HydrophobicContact SD-CB 4.23Å; M215-V373 HydrophobicContact SD-CG2 4.27Å; M370-V373 WeakPolarHBondContact O-CB 3.35Å; M370-V373 PolarHBondContact O-N 3.45Å; M370-V373 VanDerWaalsContact O-N 3.12Å; R371-V373 PolarHBondContact O-N 3.48Å; V373-M412 HydrophobicContact CB-CE 3.61Å; V373-M412 HydrophobicContact CG1-CE 3.44Å; V373-M412 VanDerWaalsContact CG1-CE 3.44Å; V373-M412 HydrophobicContact CG2-CE 4Å
374	R	85.8	Confident	93.3	Very high	137 Å²	137	46.4 Å²	46.4	52%	0.517	22%	0.224	S	C	.	.			trans	-110.7	116.2	178.1	-53.7	-175.4	-168.8	174.9	5	108.2	G372 D376 Q377 N379	G372-R374 PolarHBondContact O-N 2.79Å; R374-D376 VanDerWaalsContact C-N 3.3Å; R374-Q377 HydrophobicContact CB-CB 3.94Å; R374-Q377 VanDerWaalsContact CD-OE1 3.28Å; R374-N379 PolarHBondContact N-OD1 3.2Å; R374-N379 PolarHBondContact O-ND2 2.97Å; R374-N379 PolarHBondContact O-OD1 2.83Å
375	E	83.3	Confident	93.2	Very high	103 Å²	103	45.5 Å²	45.5	48%	0.481	22%	0.22	S	C	.	.	S	Bend	trans	-78.7	-19.6	-179.7	-56.2	-70.1	177.1	0	0	111.9	N415 R418	E375-N415 PolarHBondContact OE1-ND2 3.1Å; E375-R418 WeakPolarHBondContact OE1-CD 3.32Å; E375-R418 IonicContact OE1-CZ 3.49Å; E375-R418 IonicContact OE1-NE 2.9Å; E375-R418 PolarHBondContact OE1-NE 3.14Å; E375-R418 IonicContact OE1-NH1 3.7Å; E375-R418 PolarHBondContact OE1-NH1 2.58Å
376	D	83.8	Confident	92.9	Very high	131 Å²	131	45.3 Å²	45.3	70%	0.701	22%	0.219	S	C	*	.	S	Bend	trans	-105	-4.5	-175.3	66.7	-42.6	0	0	0	113.7	R374	R374-D376 VanDerWaalsContact C-N 3.3Å
377	Q	85.4	Confident	92.4	Very high	98 Å²	98	46.5 Å²	46.5	46%	0.458	23%	0.226	S	C	.	.	S	Bend	trans	-137	161.4	-174.6	-62.2	-178.3	1	0	0	111.9	R374 N379	R374-Q377 HydrophobicContact CB-CB 3.94Å; R374-Q377 VanDerWaalsContact CD-OE1 3.28Å; Q377-N379 PolarHBondContact O-N 3.18Å; Q377-N379 PolarHBondContact O-ND2 3.16Å
378	K	91.7	Very high	91.7	Very high	107 Å²	107	48.7 Å²	48.7	47%	0.465	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-61.4	119.8	174.2	-174	-175	179.6	-164.7	0	110.3	D231 I234	D231-K378 IonicContact OD2-NZ 2.98Å; I234-K378 HydrophobicContact CD1-CD 3.9Å; I234-K378 HydrophobicContact CD1-CG 4.36Å
379	N	95.4	Very high	91.3	Very high	12 Å²	12	52.3 Å²	52.3	6%	0.064	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-80.9	149.4	172.4	-66.4	-77.1	0	0	0	111.6	G213 M215 R374 Q377	G213-N379 WeakPolarHBondContact O-CB 3.49Å; G213-N379 PolarHBondContact O-N 3.06Å; G213-N379 PolarHBondContact O-ND2 3.5Å; M215-N379 HydrophobicContact CB-CB 3.96Å; R374-N379 PolarHBondContact N-OD1 3.2Å; R374-N379 PolarHBondContact O-ND2 2.97Å; R374-N379 PolarHBondContact O-OD1 2.83Å; Q377-N379 PolarHBondContact O-N 3.18Å; Q377-N379 PolarHBondContact O-ND2 3.16Å
380	G	95.1	Very high	91	Very high	11 Å²	11	51.8 Å²	51.8	11%	0.113	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-72.5	160.8	166.9	0	0	0	0	0	111.1	I234 W369	I234-G380 WeakPolarHBondContact O-CA 3.41Å; W369-G380 VanDerWaalsContact CZ2-O 3.29Å; W369-G380 WeakPolarHBondContact CZ2-O 3.37Å
381	W	97.9	Very high	90.9	Very high	1 Å²	1	52.3 Å²	52.3	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	146.7	174.3	-68.1	8.2	0	0	0	110.9	A206 A209 R210 D214 V216 I218 Y229 D235 K236 F383	A206-W381 HydrophobicContact CB-CH2 3.82Å; A206-W381 HydrophobicContact CB-CZ3 4.28Å; A206-W381 VanDerWaalsContact O-CH2 3.24Å; A206-W381 WeakPolarHBondContact O-CH2 3.29Å; A206-W381 WeakPolarHBondContact O-CZ2 3.41Å; A209-W381 HydrophobicContact CB-CZ2 4.23Å; R210-W381 HydrophobicContact CB-CH2 3.83Å; R210-W381 HydrophobicContact CB-CZ2 3.43Å; R210-W381 VanDerWaalsContact CB-CZ2 3.43Å; R210-W381 HydrophobicContact CG-CZ2 4.17Å; R210-W381 VanDerWaalsContact CZ-CG 3.41Å; R210-W381 VanDerWaalsContact NE-CZ2 3.34Å; R210-W381 VanDerWaalsContact NH2-CE3 3.26Å; D214-W381 PolarHBondContact O-NE1 2.8Å; V216-W381 HydrophobicContact CB-CB 4.36Å; V216-W381 HydrophobicContact CB-CD2 3.73Å; V216-W381 HydrophobicContact CB-CE3 4.46Å; V216-W381 HydrophobicContact CB-CG 3.68Å; V216-W381 HydrophobicContact CB-CZ2 4.33Å; V216-W381 HydrophobicContact CG1-CD2 4.17Å; V216-W381 HydrophobicContact CG1-CE3 4.42Å; V216-W381 HydrophobicContact CG1-CG 4.47Å; V216-W381 HydrophobicContact CG2-CD2 3.99Å; V216-W381 HydrophobicContact CG2-CG 4.19Å; V216-W381 HydrophobicContact CG2-CZ2 3.71Å; V216-W381 CarbonylContact O-C 3.56Å; V216-W381 WeakPolarHBondContact O-CA 3.46Å; I218-W381 HydrophobicContact CD1-CE3 3.6Å; I218-W381 HydrophobicContact CD1-CZ3 3.68Å; Y229-W381 AromaticContact CD1-CH2 3.98Å; Y229-W381 HydrophobicContact CD1-CH2 3.98Å; Y229-W381 AromaticContact CD1-CZ3 3.74Å; Y229-W381 HydrophobicContact CD1-CZ3 3.74Å; Y229-W381 HydrophobicContact CE1-CH2 4.4Å; Y229-W381 HydrophobicContact CE1-CZ3 4.46Å; Y229-W381 HydrophobicContact CG-CH2 4.46Å; Y229-W381 AromaticContact CG-CZ3 3.77Å; Y229-W381 HydrophobicContact CG-CZ3 3.77Å; D235-W381 CarbonylContact C-O 3.15Å; D235-W381 VanDerWaalsContact CA-O 3.31Å; D235-W381 WeakPolarHBondContact CA-O 3.44Å; D235-W381 WeakPolarHBondContact CB-O 3.47Å; D235-W381 PolarHBondContact OD1-N 2.94Å; K236-W381 PolarHBondContact N-O 3.39Å; W381-F383 HydrophobicContact CB-CD2 4.46Å; W381-F383 HydrophobicContact CB-CE2 3.87Å; W381-F383 HydrophobicContact CB-CZ 4.33Å; W381-F383 HydrophobicContact CE3-CE1 4.38Å; W381-F383 HydrophobicContact CE3-CE2 4.45Å; W381-F383 AromaticContact CE3-CZ 3.79Å; W381-F383 HydrophobicContact CE3-CZ 3.79Å
382	L	98.3	Very high	90.8	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	114	173.7	-179.6	64.2	0	0	0	109.4	V216 V217 I218 K236 L238 F364 I366 W369 I384	V216-L382 PolarHBondContact O-N 2.85Å; V217-L382 CarbonylContact C-O 3.39Å; V217-L382 WeakPolarHBondContact CA-O 3.38Å; V217-L382 HydrophobicContact CG1-CD2 4.42Å; V217-L382 HydrophobicContact CG2-CB 4.38Å; V217-L382 HydrophobicContact CG2-CD2 4.45Å; I218-L382 PolarHBondContact N-O 3.49Å; K236-L382 HydrophobicContact CB-CD1 3.87Å; L238-L382 HydrophobicContact CD1-CD1 3.84Å; L238-L382 HydrophobicContact CD1-CD2 4.23Å; L238-L382 HydrophobicContact CD1-CG 4.41Å; L238-L382 HydrophobicContact CG-CD1 3.84Å; F364-L382 HydrophobicContact CE1-CD1 4.11Å; F364-L382 HydrophobicContact CZ-CD1 3.91Å; I366-L382 HydrophobicContact CD1-CD2 4.44Å; I366-L382 HydrophobicContact CG1-CD2 4.14Å; I366-L382 HydrophobicContact CG2-CD2 4.24Å; W369-L382 HydrophobicContact CE3-CB 4.32Å; W369-L382 HydrophobicContact CE3-CD2 4.21Å; W369-L382 HydrophobicContact CH2-CB 3.41Å; W369-L382 VanDerWaalsContact CH2-CB 3.41Å; W369-L382 HydrophobicContact CZ2-CB 3.81Å; W369-L382 HydrophobicContact CZ3-CB 3.69Å; W369-L382 HydrophobicContact CZ3-CD2 4.02Å; W369-L382 HydrophobicContact CZ3-CG 4.49Å; L382-I384 HydrophobicContact CD2-CG1 4.45Å; L382-I384 HydrophobicContact CG-CG1 4.29Å
383	F	98.1	Very high	90.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	113	173.9	-63.1	-94.1	0	0	0	109.2	I218 F225 V226 Y230 D235 K236 I237 L238 W381	I218-F383 HydrophobicContact CB-CD1 4.19Å; I218-F383 HydrophobicContact CD1-CD1 4.36Å; I218-F383 HydrophobicContact CD1-CE1 3.88Å; I218-F383 HydrophobicContact CD1-CZ 4.49Å; F225-F383 HydrophobicContact CB-CD1 4.36Å; F225-F383 HydrophobicContact CB-CE1 4.06Å; V226-F383 HydrophobicContact CG2-CB 3.78Å; V226-F383 HydrophobicContact CG2-CD1 3.65Å; V226-F383 HydrophobicContact CG2-CE1 4.4Å; V226-F383 HydrophobicContact CG2-CG 3.81Å; Y230-F383 HydrophobicContact CD2-CD2 4.03Å; Y230-F383 AromaticContact CD2-CE2 3.99Å; Y230-F383 HydrophobicContact CD2-CE2 3.99Å; D235-F383 HydrophobicContact CB-CD2 4.34Å; D235-F383 HydrophobicContact CB-CE2 3.94Å; K236-F383 PolarHBondContact O-N 3.43Å; I237-F383 CarbonylContact C-O 3.48Å; I237-F383 WeakPolarHBondContact CA-O 3.45Å; I237-F383 HydrophobicContact CG1-CB 4.26Å; L238-F383 PolarHBondContact N-O 2.98Å; W381-F383 HydrophobicContact CB-CD2 4.46Å; W381-F383 HydrophobicContact CB-CE2 3.87Å; W381-F383 HydrophobicContact CB-CZ 4.33Å; W381-F383 HydrophobicContact CE3-CE1 4.38Å; W381-F383 HydrophobicContact CE3-CE2 4.45Å; W381-F383 AromaticContact CE3-CZ 3.79Å; W381-F383 HydrophobicContact CE3-CZ 3.79Å
384	I	97.4	Very high	91.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	97.7	169	-54.9	179	0	0	0	106.2	V217 I218 Y219 D220 L238 L382 I398 W401 L402	V217-I384 HydrophobicContact CG1-CD1 3.99Å; V217-I384 HydrophobicContact CG1-CG1 4.44Å; I218-I384 PolarHBondContact O-N 2.9Å; Y219-I384 WeakPolarHBondContact CA-O 3.44Å; D220-I384 PolarHBondContact N-O 2.99Å; L238-I384 HydrophobicContact CD1-CG1 4.42Å; L382-I384 HydrophobicContact CD2-CG1 4.45Å; L382-I384 HydrophobicContact CG-CG1 4.29Å; I384-I398 HydrophobicContact CG2-CB 4.37Å; I384-I398 HydrophobicContact CG2-CG1 4.44Å; I384-I398 HydrophobicContact CG2-CG2 3.82Å; I384-W401 HydrophobicContact CD1-CB 3.99Å; I384-W401 HydrophobicContact CG2-CB 4.44Å; I384-W401 HydrophobicContact CG2-CE3 4.1Å; I384-L402 HydrophobicContact CD1-CB 4.15Å; I384-L402 HydrophobicContact CD1-CD1 4.29Å
385	S	94.8	Very high	91.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.007	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	158.2	-169.9	72.7	0	0	0	0	113.9	D220 L238 N239	D220-S385 WeakPolarHBondContact O-CA 3.35Å; D220-S385 WeakPolarHBondContact O-CB 3.45Å; L238-S385 PolarHBondContact O-N 3.32Å; N239-S385 WeakPolarHBondContact CB-O 3.15Å; N239-S385 WeakPolarHBondContact CB-OG 3.33Å; N239-S385 PolarHBondContact ND2-O 3.37Å; N239-S385 PolarHBondContact ND2-OG 2.95Å
386	S	90.6	Very high	92.2	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.028	24%	0.238	C	C	.	.			trans	-138.6	179.7	164.8	57.4	0	0	0	0	110.2	D220 R221 H391	D220-S386 PolarHBondContact O-N 3.09Å; R221-S386 CarbonylContact C-O 3.57Å; R221-S386 WeakPolarHBondContact CA-OG 3.21Å; R221-S386 CarbonylContact O-C 3.57Å; R221-S386 PolarHBondContact O-OG 3.35Å; S386-H391 PolarHBondContact OG-ND1 2.76Å
387	N	87.1	Confident	92.8	Very high	25 Å²	25	34.5 Å²	34.5	13%	0.134	20%	0.204	C	C	.	.			trans	-121.4	163.7	161.7	64.4	30.6	0	0	0	109.1	D389 T390 H391	N387-D389 PolarHBondContact O-N 3.31Å; N387-D389 PolarHBondContact OD1-N 2.82Å; N387-T390 VanDerWaalsContact CG-OG1 3.32Å; N387-T390 PolarHBondContact O-N 2.77Å; N387-T390 VanDerWaalsContact OD1-CB 3.25Å; N387-T390 WeakPolarHBondContact OD1-CB 3.18Å; N387-T390 VanDerWaalsContact OD1-CG2 3.26Å; N387-T390 WeakPolarHBondContact OD1-CG2 3.15Å; N387-T390 PolarHBondContact OD1-N 2.97Å; N387-T390 PolarHBondContact OD1-OG1 3.48Å; N387-H391 VanDerWaalsContact O-CB 3.29Å; N387-H391 WeakPolarHBondContact O-CB 3.46Å; N387-H391 PolarHBondContact O-N 3.42Å
388	A	82.5	Confident	93.4	Very high	78 Å²	78	29.8 Å²	29.8	65%	0.645	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-38.1	-175.8	0	0	0	0	0	112.7
389	D	86.8	Confident	93.6	Very high	152 Å²	152	24.7 Å²	24.7	81%	0.813	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-30.7	-174.2	-55.2	-30.2	0	0	0	113.1	N387	N387-D389 PolarHBondContact O-N 3.31Å; N387-D389 PolarHBondContact OD1-N 2.82Å
390	T	89.5	Confident	93.6	Very high	27 Å²	27	24.2 Å²	24.2	17%	0.166	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-8.8	-172.3	66.8	0	0	0	0	113.2	L241 N387 A392 S393 L394	L241-T390 HydrophobicContact CD1-CG2 3.39Å; N387-T390 VanDerWaalsContact CG-OG1 3.32Å; N387-T390 PolarHBondContact O-N 2.77Å; N387-T390 VanDerWaalsContact OD1-CB 3.25Å; N387-T390 WeakPolarHBondContact OD1-CB 3.18Å; N387-T390 VanDerWaalsContact OD1-CG2 3.26Å; N387-T390 WeakPolarHBondContact OD1-CG2 3.15Å; N387-T390 PolarHBondContact OD1-N 2.97Å; N387-T390 PolarHBondContact OD1-OG1 3.48Å; T390-A392 VanDerWaalsContact C-N 3.31Å; T390-A392 PolarHBondContact O-N 3.29Å; T390-S393 PolarHBondContact O-N 3.09Å; T390-L394 WeakPolarHBondContact O-CG 3.48Å; T390-L394 PolarHBondContact O-N 3.03Å; T390-L394 VanDerWaalsContact O-N 3.09Å
391	H	92.9	Very high	93.7	Very high	11 Å²	11	23.7 Å²	23.7	5%	0.051	15%	0.152	C	C	.	.	H	α-helix	trans	-53.6	-44.9	-175.2	178.3	74.4	0	0	0	112.9	Y219 R221 S386 N387 S393 L394 K395 T429	Y219-H391 PolarHBondContact OH-CE1 3.23Å; R221-H391 PolarHBondContact NH1-CD2 3.19Å; R221-H391 PolarHBondContact NH1-NE2 3.14Å; R221-H391 VanDerWaalsContact NH1-NE2 3.17Å; S386-H391 PolarHBondContact OG-ND1 2.76Å; N387-H391 VanDerWaalsContact O-CB 3.29Å; N387-H391 WeakPolarHBondContact O-CB 3.46Å; N387-H391 PolarHBondContact O-N 3.42Å; H391-S393 VanDerWaalsContact C-N 3.27Å; H391-S393 PolarHBondContact O-N 2.75Å; H391-L394 PolarHBondContact O-N 2.8Å; H391-L394 VanDerWaalsContact O-N 3.16Å; H391-K395 WeakPolarHBondContact O-CB 3.3Å; H391-K395 PolarHBondContact O-N 2.66Å; H391-T429 PolarHBondContact NE2-O 3.15Å
392	A	91.9	Very high	93.7	Very high	83 Å²	83	23.7 Å²	23.7	69%	0.686	15%	0.152	S	C	*	.	H	α-helix	trans	-58.1	-40	179.7	0	0	0	0	0	112.5	T390	T390-A392 VanDerWaalsContact C-N 3.31Å; T390-A392 PolarHBondContact O-N 3.29Å
393	S	92.4	Very high	93.6	Very high	55 Å²	55	23.9 Å²	23.9	39%	0.385	15%	0.154	S	C	.	.	H	α-helix	trans	-75.1	-28.5	179.7	-59	0	0	0	0	113.2	A350 T390 H391	A350-S393 WeakPolarHBondContact CB-O 3.36Å; T390-S393 PolarHBondContact O-N 3.09Å; H391-S393 VanDerWaalsContact C-N 3.27Å; H391-S393 PolarHBondContact O-N 2.75Å
394	L	94.6	Very high	93.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-97.5	-13.5	-176.5	-61	179.4	0	0	0	113.7	P240 L241 Y353 T390 H391 P396 V397 I398	P240-L394 HydrophobicContact CB-CD2 4.13Å; P240-L394 HydrophobicContact CG-CD2 3.9Å; L241-L394 HydrophobicContact CD1-CD1 3.92Å; L241-L394 HydrophobicContact CD1-CD2 4.37Å; L241-L394 HydrophobicContact CD1-CG 4.37Å; L241-L394 HydrophobicContact CG-CD1 4.08Å; L241-L394 HydrophobicContact CG-CD2 4.28Å; Y353-L394 HydrophobicContact CD2-CD2 3.61Å; Y353-L394 HydrophobicContact CE2-CD2 4.35Å; Y353-L394 HydrophobicContact CG-CD2 3.95Å; T390-L394 WeakPolarHBondContact O-CG 3.48Å; T390-L394 PolarHBondContact O-N 3.03Å; T390-L394 VanDerWaalsContact O-N 3.09Å; H391-L394 PolarHBondContact O-N 2.8Å; H391-L394 VanDerWaalsContact O-N 3.16Å; L394-P396 VanDerWaalsContact C-N 3.32Å; L394-P396 VanDerWaalsContact O-N 3.16Å; L394-V397 PolarHBondContact O-N 3.06Å; L394-I398 HydrophobicContact CB-CD1 3.65Å; L394-I398 HydrophobicContact CB-CG1 4.21Å; L394-I398 WeakPolarHBondContact O-CG1 3.41Å; L394-I398 PolarHBondContact O-N 3.02Å
395	K	95.1	Very high	93.5	Very high	51 Å²	51	24.6 Å²	24.6	22%	0.222	16%	0.157	C	C	.	.	H	α-helix	trans	-45.4	-44.2	-177.9	-178.6	178.4	-176.3	172.8	0	114.1	H391 S399 T429 L430 H431	H391-K395 WeakPolarHBondContact O-CB 3.3Å; H391-K395 PolarHBondContact O-N 2.66Å; K395-S399 VanDerWaalsContact O-CB 3.32Å; K395-S399 WeakPolarHBondContact O-CB 3.48Å; K395-S399 PolarHBondContact O-N 2.99Å; K395-S399 PolarHBondContact O-OG 3.11Å; K395-T429 WeakPolarHBondContact CD-O 3.26Å; K395-T429 WeakPolarHBondContact CE-O 3.36Å; K395-T429 PolarHBondContact NZ-O 3.26Å; K395-L430 WeakPolarHBondContact CE-O 3.31Å; K395-L430 PolarHBondContact NZ-O 3.39Å; K395-H431 WeakPolarHBondContact CE-CD2 3.28Å
396	P	95.8	Very high	93.5	Very high	8 Å²	8	24.6 Å²	24.6	5%	0.052	16%	0.157	C	C	.	.	H	α-helix	trans	-60.7	-46.7	177.6	-20.4	30.7	0	0	0	113.2	L267 A350 L394 M400	L267-P396 HydrophobicContact CD1-CB 3.74Å; A350-P396 HydrophobicContact CB-CB 3.99Å; A350-P396 HydrophobicContact CB-CG 3.78Å; L394-P396 VanDerWaalsContact C-N 3.32Å; L394-P396 VanDerWaalsContact O-N 3.16Å; P396-M400 WeakPolarHBondContact O-CB 3.25Å; P396-M400 PolarHBondContact O-N 3.35Å
397	V	96.6	Very high	93.6	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-71.2	-40.2	-177.7	171.9	0	0	0	0	111.4	P240 L267 A350 I351 L354 L394 M400 W401	P240-V397 HydrophobicContact CG-CG1 4.18Å; L267-V397 HydrophobicContact CD1-CG2 4.47Å; A350-V397 HydrophobicContact CB-CG2 3.78Å; I351-V397 HydrophobicContact CG1-CG2 4.11Å; L354-V397 HydrophobicContact CD1-CG1 4.22Å; L354-V397 HydrophobicContact CD1-CG2 4.43Å; L354-V397 HydrophobicContact CD2-CG1 4.16Å; L354-V397 HydrophobicContact CG-CG1 4.47Å; L394-V397 PolarHBondContact O-N 3.06Å; V397-M400 HydrophobicContact CG1-CE 4.26Å; V397-M400 WeakPolarHBondContact O-CB 3.38Å; V397-M400 PolarHBondContact O-N 3.36Å; V397-W401 HydrophobicContact CG1-CD2 3.83Å; V397-W401 HydrophobicContact CG1-CE3 3.87Å; V397-W401 HydrophobicContact CG1-CH2 3.79Å; V397-W401 HydrophobicContact CG1-CZ2 3.69Å; V397-W401 HydrophobicContact CG1-CZ3 3.85Å; V397-W401 PolarHBondContact O-N 2.63Å
398	I	96.3	Very high	94	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.9	-47	176.6	-70.5	169.9	0	0	0	110.8	Y219 I384 L394 M400 W401 L402 L430	Y219-I398 HydrophobicContact CD2-CG2 3.94Å; Y219-I398 HydrophobicContact CE2-CG2 3.69Å; I384-I398 HydrophobicContact CG2-CB 4.37Å; I384-I398 HydrophobicContact CG2-CG1 4.44Å; I384-I398 HydrophobicContact CG2-CG2 3.82Å; L394-I398 HydrophobicContact CB-CD1 3.65Å; L394-I398 HydrophobicContact CB-CG1 4.21Å; L394-I398 WeakPolarHBondContact O-CG1 3.41Å; L394-I398 PolarHBondContact O-N 3.02Å; I398-M400 VanDerWaalsContact C-N 3.3Å; I398-M400 PolarHBondContact O-N 3.21Å; I398-W401 PolarHBondContact O-N 2.78Å; I398-L402 PolarHBondContact O-N 2.91Å; I398-L430 HydrophobicContact CG2-CD2 3.58Å
399	S	96.1	Very high	94.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.2	-43.3	178	-55.2	0	0	0	0	110.5	T266 K395 L402 S403 H431 L433	T266-S399 WeakPolarHBondContact CG2-O 3.42Å; K395-S399 VanDerWaalsContact O-CB 3.32Å; K395-S399 WeakPolarHBondContact O-CB 3.48Å; K395-S399 PolarHBondContact O-N 2.99Å; K395-S399 PolarHBondContact O-OG 3.11Å; S399-L402 PolarHBondContact O-N 2.99Å; S399-S403 PolarHBondContact O-N 3.24Å; S399-H431 PolarHBondContact OG-N 2.94Å; S399-L433 WeakPolarHBondContact O-CD2 3.47Å
400	M	96.6	Very high	94.8	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-59.5	-48.2	176.9	-179	-171.1	74.4	0	0	112.3	W248 T263 L267 P396 V397 I398 L402 S403 I404	W248-M400 HydrophobicContact CH2-CE 3.36Å; W248-M400 HydrophobicContact CH2-SD 4.42Å; W248-M400 HydrophobicContact CZ2-CE 4.2Å; W248-M400 HydrophobicContact CZ3-CE 3.67Å; T263-M400 HydrophobicContact CG2-CG 3.47Å; T263-M400 VanDerWaalsContact CG2-CG 3.47Å; T263-M400 HydrophobicContact CG2-SD 3.26Å; T263-M400 WeakPolarHBondContact CG2-SD 3.35Å; L267-M400 HydrophobicContact CB-SD 4.23Å; L267-M400 HydrophobicContact CD1-SD 4.15Å; P396-M400 WeakPolarHBondContact O-CB 3.25Å; P396-M400 PolarHBondContact O-N 3.35Å; V397-M400 HydrophobicContact CG1-CE 4.26Å; V397-M400 WeakPolarHBondContact O-CB 3.38Å; V397-M400 PolarHBondContact O-N 3.36Å; I398-M400 VanDerWaalsContact C-N 3.3Å; I398-M400 PolarHBondContact O-N 3.21Å; M400-L402 VanDerWaalsContact C-N 3.35Å; M400-L402 PolarHBondContact O-N 3.01Å; M400-S403 VanDerWaalsContact O-CB 3.31Å; M400-S403 WeakPolarHBondContact O-CB 3.24Å; M400-S403 PolarHBondContact O-N 3.48Å; M400-I404 HydrophobicContact CG-CD1 4.1Å; M400-I404 VanDerWaalsContact O-CG1 3.31Å; M400-I404 WeakPolarHBondContact O-CG1 3.47Å; M400-I404 PolarHBondContact O-N 3.34Å
401	W	97.6	Very high	94.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.6	-40.9	176.8	-72.4	-33.1	0	0	0	113.1	L238 P240 W248 L354 I366 I384 V397 I398 I404 A405	L238-W401 HydrophobicContact CB-CD2 4.09Å; L238-W401 HydrophobicContact CB-CE3 3.66Å; L238-W401 HydrophobicContact CB-CH2 3.92Å; L238-W401 HydrophobicContact CB-CZ2 4.37Å; L238-W401 HydrophobicContact CB-CZ3 3.58Å; L238-W401 HydrophobicContact CD1-CB 4.24Å; L238-W401 HydrophobicContact CD1-CD2 3.94Å; L238-W401 HydrophobicContact CD1-CE3 4.31Å; L238-W401 HydrophobicContact CD1-CG 3.95Å; L238-W401 HydrophobicContact CD2-CH2 4.37Å; L238-W401 HydrophobicContact CD2-CZ2 4.16Å; L238-W401 HydrophobicContact CG-CD2 4.49Å; P240-W401 HydrophobicContact CG-CH2 3.6Å; P240-W401 HydrophobicContact CG-CZ2 4.5Å; P240-W401 HydrophobicContact CG-CZ3 4.05Å; W248-W401 HydrophobicContact CB-CZ2 4.47Å; W248-W401 AromaticContact CD2-CD1 3.92Å; W248-W401 AromaticContact CD2-NE1 3.13Å; W248-W401 AromaticContact CE2-CD1 3.76Å; W248-W401 AromaticContact CE2-NE1 3.45Å; W248-W401 HydrophobicContact CE3-CZ2 4.27Å; W248-W401 AromaticContact CE3-NE1 3.24Å; W248-W401 AromaticContact CG-NE1 3.62Å; W248-W401 AromaticContact CH2-NE1 3.95Å; W248-W401 AromaticContact CZ2-CD1 3.99Å; W248-W401 AromaticContact CZ2-NE1 3.86Å; W248-W401 AromaticContact CZ3-NE1 3.67Å; L354-W401 HydrophobicContact CD2-CH2 3.81Å; L354-W401 HydrophobicContact CD2-CZ2 3.46Å; L354-W401 VanDerWaalsContact CD2-CZ2 3.46Å; I366-W401 HydrophobicContact CD1-CB 3.89Å; I366-W401 HydrophobicContact CD1-CG 4.16Å; I366-W401 WeakPolarHBondContact CD1-O 3.39Å; I384-W401 HydrophobicContact CD1-CB 3.99Å; I384-W401 HydrophobicContact CG2-CB 4.44Å; I384-W401 HydrophobicContact CG2-CE3 4.1Å; V397-W401 HydrophobicContact CG1-CD2 3.83Å; V397-W401 HydrophobicContact CG1-CE3 3.87Å; V397-W401 HydrophobicContact CG1-CH2 3.79Å; V397-W401 HydrophobicContact CG1-CZ2 3.69Å; V397-W401 HydrophobicContact CG1-CZ3 3.85Å; V397-W401 PolarHBondContact O-N 2.63Å; I398-W401 PolarHBondContact O-N 2.78Å; W401-I404 PolarHBondContact O-N 2.88Å; W401-A405 PolarHBondContact O-N 3.32Å
402	L	96.7	Very high	94.8	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-65	-41.3	176.2	-174.4	60.3	0	0	0	111.2	V217 I384 I398 S399 M400 I404 A405 I406 F422 L430 L433	V217-L402 HydrophobicContact CG1-CD1 4.16Å; I384-L402 HydrophobicContact CD1-CB 4.15Å; I384-L402 HydrophobicContact CD1-CD1 4.29Å; I398-L402 PolarHBondContact O-N 2.91Å; S399-L402 PolarHBondContact O-N 2.99Å; M400-L402 VanDerWaalsContact C-N 3.35Å; M400-L402 PolarHBondContact O-N 3.01Å; L402-I404 VanDerWaalsContact C-N 3.34Å; L402-I404 PolarHBondContact O-N 3.34Å; L402-A405 WeakPolarHBondContact O-CB 3.22Å; L402-A405 PolarHBondContact O-N 2.91Å; L402-I406 HydrophobicContact CG-CD1 3.98Å; L402-I406 HydrophobicContact CG-CG1 4.46Å; L402-I406 VanDerWaalsContact O-CG1 3.25Å; L402-I406 WeakPolarHBondContact O-CG1 3.44Å; L402-I406 PolarHBondContact O-N 3.34Å; L402-F422 HydrophobicContact CD1-CD1 4.25Å; L402-L430 HydrophobicContact CD2-CD1 3.42Å; L402-L430 VanDerWaalsContact CD2-CD1 3.42Å; L402-L433 HydrophobicContact CD2-CD1 3.76Å; L402-L433 HydrophobicContact CG-CD1 4.28Å
403	S	95.6	Very high	94.8	Very high	4 Å²	4	17 Å²	17	3%	0.028	10%	0.104	C	C	.	.	H	α-helix	trans	-55.9	-46.8	173.1	-131.2	0	0	0	0	112.3	T266 S399 M400 A405 I406 R407 D435	T266-S403 WeakPolarHBondContact OG1-CB 3.18Å; T266-S403 PolarHBondContact OG1-OG 3.22Å; S399-S403 PolarHBondContact O-N 3.24Å; M400-S403 VanDerWaalsContact O-CB 3.31Å; M400-S403 WeakPolarHBondContact O-CB 3.24Å; M400-S403 PolarHBondContact O-N 3.48Å; S403-A405 VanDerWaalsContact C-N 3.29Å; S403-A405 PolarHBondContact O-N 2.82Å; S403-I406 PolarHBondContact O-N 2.83Å; S403-R407 PolarHBondContact O-N 3.48Å; S403-D435 WeakPolarHBondContact CB-OD2 3.49Å; S403-D435 PolarHBondContact OG-OD2 2.98Å
404	I	96.7	Very high	94.8	Very high	14 Å²	14	21.3 Å²	21.3	7%	0.072	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-42.1	178.3	-67.8	161.4	0	0	0	110.2	W248 E253 T263 I366 M400 W401 L402 R407 G408	W248-I404 HydrophobicContact CH2-CD1 4.49Å; W248-I404 HydrophobicContact CZ2-CD1 3.75Å; E253-I404 HydrophobicContact CG-CD1 4.18Å; E253-I404 HydrophobicContact CG-CG2 3.97Å; E253-I404 WeakPolarHBondContact OE1-CG2 3.43Å; T263-I404 HydrophobicContact CG2-CD1 4.41Å; I366-I404 HydrophobicContact CB-CG2 3.85Å; I366-I404 HydrophobicContact CD1-CB 4.21Å; I366-I404 HydrophobicContact CD1-CG2 4.09Å; I366-I404 HydrophobicContact CG1-CG2 4.49Å; I366-I404 HydrophobicContact CG2-CG2 4.12Å; M400-I404 HydrophobicContact CG-CD1 4.1Å; M400-I404 VanDerWaalsContact O-CG1 3.31Å; M400-I404 WeakPolarHBondContact O-CG1 3.47Å; M400-I404 PolarHBondContact O-N 3.34Å; W401-I404 PolarHBondContact O-N 2.88Å; L402-I404 VanDerWaalsContact C-N 3.34Å; L402-I404 PolarHBondContact O-N 3.34Å; I404-R407 PolarHBondContact O-N 2.96Å; I404-G408 WeakPolarHBondContact O-CA 3.39Å; I404-G408 PolarHBondContact O-N 3.49Å
405	A	96.8	Very high	94.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.1	-43.6	176.6	0	0	0	0	0	112.3	V217 I366 M370 W401 L402 S403 R407 G408 L409 F422	V217-A405 HydrophobicContact CG1-CB 4.22Å; V217-A405 HydrophobicContact CG2-CB 4.29Å; I366-A405 HydrophobicContact CG2-CB 3.8Å; M370-A405 VanDerWaalsContact CE-O 3.27Å; M370-A405 WeakPolarHBondContact CE-O 3.49Å; M370-A405 HydrophobicContact SD-CB 4.14Å; W401-A405 PolarHBondContact O-N 3.32Å; L402-A405 WeakPolarHBondContact O-CB 3.22Å; L402-A405 PolarHBondContact O-N 2.91Å; S403-A405 VanDerWaalsContact C-N 3.29Å; S403-A405 PolarHBondContact O-N 2.82Å; A405-R407 VanDerWaalsContact C-N 3.34Å; A405-R407 PolarHBondContact O-N 3.05Å; A405-G408 PolarHBondContact O-N 3.3Å; A405-G408 VanDerWaalsContact O-N 3.17Å; A405-L409 PolarHBondContact O-N 2.96Å; A405-F422 HydrophobicContact CB-CE1 3.86Å
406	I	95.3	Very high	94.4	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-58.9	-46.5	177.2	-68.4	165.6	0	0	0	110.4	L402 S403 L409 F422 L433 D435 L436 I439 Y450	L402-I406 HydrophobicContact CG-CD1 3.98Å; L402-I406 HydrophobicContact CG-CG1 4.46Å; L402-I406 VanDerWaalsContact O-CG1 3.25Å; L402-I406 WeakPolarHBondContact O-CG1 3.44Å; L402-I406 PolarHBondContact O-N 3.34Å; S403-I406 PolarHBondContact O-N 2.83Å; I406-L409 WeakPolarHBondContact O-CB 3.03Å; I406-L409 PolarHBondContact O-N 3.34Å; I406-F422 HydrophobicContact CG1-CD1 4.37Å; I406-F422 HydrophobicContact CG1-CE1 4.15Å; I406-L433 HydrophobicContact CD1-CD1 4.24Å; I406-D435 HydrophobicContact CG2-CB 4.27Å; I406-L436 HydrophobicContact CD1-CB 4.05Å; I406-L436 HydrophobicContact CD1-CD1 3.74Å; I406-L436 HydrophobicContact CD1-CG 4.42Å; I406-L436 HydrophobicContact CG1-CD1 4.46Å; I406-I439 HydrophobicContact CG2-CB 4.1Å; I406-I439 HydrophobicContact CG2-CD1 4.14Å; I406-I439 HydrophobicContact CG2-CG2 4.19Å; I406-Y450 HydrophobicContact CG1-CE1 4.21Å
407	R	93.8	Very high	94.2	Very high	54 Å²	54	33.6 Å²	33.6	20%	0.204	18%	0.176	C	C	.	.	H	α-helix	trans	-69.4	-35.6	175.6	-166.4	-178.2	-59.6	128.8	3.6	112.8	N262 S403 I404 A405 L409 L410 D435 I439	N262-R407 VanDerWaalsContact CB-CZ 3.44Å; N262-R407 VanDerWaalsContact CB-NH2 3.28Å; N262-R407 VanDerWaalsContact CG-CZ 3.47Å; N262-R407 PolarHBondContact ND2-NH1 2.91Å; S403-R407 PolarHBondContact O-N 3.48Å; I404-R407 PolarHBondContact O-N 2.96Å; A405-R407 VanDerWaalsContact C-N 3.34Å; A405-R407 PolarHBondContact O-N 3.05Å; R407-L409 PolarHBondContact O-N 3.21Å; R407-L409 VanDerWaalsContact O-N 3.15Å; R407-L410 WeakPolarHBondContact O-CB 3.3Å; R407-L410 PolarHBondContact O-N 2.83Å; R407-D435 IonicContact CZ-OD1 3.53Å; R407-D435 IonicContact CZ-OD2 2.82Å; R407-D435 IonicContact NE-OD1 3.03Å; R407-D435 PolarHBondContact NE-OD1 3.13Å; R407-D435 IonicContact NH2-OD1 2.84Å; R407-D435 PolarHBondContact NH2-OD1 2.99Å; R407-D435 IonicContact NH2-OD2 2.77Å; R407-D435 PolarHBondContact NH2-OD2 3.35Å; R407-I439 HydrophobicContact CB-CD1 4.08Å; R407-I439 HydrophobicContact CG-CD1 4.17Å
408	G	93.7	Very high	94.1	Very high	7 Å²	7	34.6 Å²	34.6	7%	0.072	18%	0.18	C	C	.	.	H	α-helix	trans	-54	-33	177.3	0	0	0	0	0	112.6	I404 A405 L410 A411 M412	I404-G408 WeakPolarHBondContact O-CA 3.39Å; I404-G408 PolarHBondContact O-N 3.49Å; A405-G408 PolarHBondContact O-N 3.3Å; A405-G408 VanDerWaalsContact O-N 3.17Å; G408-L410 VanDerWaalsContact C-N 3.32Å; G408-L410 PolarHBondContact O-N 2.82Å; G408-A411 WeakPolarHBondContact O-CB 3.42Å; G408-A411 PolarHBondContact O-N 3.35Å; G408-A411 VanDerWaalsContact O-N 3.11Å; G408-M412 WeakPolarHBondContact O-CG 3.44Å; G408-M412 PolarHBondContact O-N 2.94Å
409	L	94.7	Very high	94	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-54.4	-44.6	174.7	-179.1	66.5	0	0	0	112.8	M370 A405 I406 R407 A411 M412 V420 F422 A443 F446 Y450	M370-L409 HydrophobicContact CE-CB 4.24Å; A405-L409 PolarHBondContact O-N 2.96Å; I406-L409 WeakPolarHBondContact O-CB 3.03Å; I406-L409 PolarHBondContact O-N 3.34Å; R407-L409 PolarHBondContact O-N 3.21Å; R407-L409 VanDerWaalsContact O-N 3.15Å; L409-A411 VanDerWaalsContact C-N 3.28Å; L409-A411 PolarHBondContact O-N 2.82Å; L409-M412 HydrophobicContact CD1-SD 4.12Å; L409-M412 WeakPolarHBondContact O-CB 3.06Å; L409-M412 PolarHBondContact O-N 3.04Å; L409-V420 HydrophobicContact CD1-CB 3.83Å; L409-V420 HydrophobicContact CD1-CG1 4.2Å; L409-V420 HydrophobicContact CD1-CG2 3.87Å; L409-F422 HydrophobicContact CB-CZ 4.47Å; L409-F422 HydrophobicContact CD2-CE2 4.31Å; L409-A443 HydrophobicContact CD2-CB 3.75Å; L409-F446 HydrophobicContact CD1-CB 4.11Å; L409-F446 HydrophobicContact CD2-CB 4.36Å; L409-F446 HydrophobicContact CG-CB 3.86Å; L409-Y450 HydrophobicContact CD2-CE2 4.22Å
410	L	92.2	Very high	94.1	Very high	56 Å²	56	35.7 Å²	35.7	29%	0.293	18%	0.184	S	C	.	.	H	α-helix	trans	-64.4	-37	179.8	-61.6	-177	0	0	0	111.5	R407 G408 M412 G413 I439 F446	R407-L410 WeakPolarHBondContact O-CB 3.3Å; R407-L410 PolarHBondContact O-N 2.83Å; G408-L410 VanDerWaalsContact C-N 3.32Å; G408-L410 PolarHBondContact O-N 2.82Å; L410-M412 PolarHBondContact O-N 2.81Å; L410-G413 PolarHBondContact O-N 3.26Å; L410-I439 HydrophobicContact CD1-CD1 3.69Å; L410-I439 HydrophobicContact CD1-CG1 3.87Å; L410-I439 HydrophobicContact CD1-CG2 4.09Å; L410-I439 HydrophobicContact CD2-CG2 3.9Å; L410-I439 HydrophobicContact CG-CD1 4.3Å; L410-I439 HydrophobicContact CG-CG2 3.91Å; L410-F446 HydrophobicContact CD2-CD1 4.38Å; L410-F446 HydrophobicContact CD2-CD2 3.47Å; L410-F446 VanDerWaalsContact CD2-CD2 3.47Å; L410-F446 HydrophobicContact CD2-CE1 4.23Å; L410-F446 HydrophobicContact CD2-CE2 3.29Å; L410-F446 HydrophobicContact CD2-CG 4.05Å; L410-F446 HydrophobicContact CD2-CZ 3.71Å; L410-F446 WeakPolarHBondContact O-CE1 3.4Å
411	A	89.6	Confident	94.1	Very high	46 Å²	46	35.6 Å²	35.6	38%	0.38	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-5.6	-179.5	0	0	0	0	0	113.9	G408 L409 G413	G408-A411 WeakPolarHBondContact O-CB 3.42Å; G408-A411 PolarHBondContact O-N 3.35Å; G408-A411 VanDerWaalsContact O-N 3.11Å; L409-A411 VanDerWaalsContact C-N 3.28Å; L409-A411 PolarHBondContact O-N 2.82Å; A411-G413 VanDerWaalsContact C-N 3.33Å
412	M	92.2	Very high	94.1	Very high	23 Å²	23	35.6 Å²	35.6	11%	0.113	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-9.2	175.1	-60.8	170.1	68.6	0	0	113.2	M215 M370 V373 G408 L409 L410 R418 V420	M215-M412 HydrophobicContact SD-CE 4.18Å; M370-M412 HydrophobicContact CB-CG 4.29Å; M370-M412 HydrophobicContact CB-SD 4.04Å; M370-M412 HydrophobicContact CE-SD 3.73Å; M370-M412 WeakPolarHBondContact O-CE 3.46Å; V373-M412 HydrophobicContact CB-CE 3.61Å; V373-M412 HydrophobicContact CG1-CE 3.44Å; V373-M412 VanDerWaalsContact CG1-CE 3.44Å; V373-M412 HydrophobicContact CG2-CE 4Å; G408-M412 WeakPolarHBondContact O-CG 3.44Å; G408-M412 PolarHBondContact O-N 2.94Å; L409-M412 HydrophobicContact CD1-SD 4.12Å; L409-M412 WeakPolarHBondContact O-CB 3.06Å; L409-M412 PolarHBondContact O-N 3.04Å; L410-M412 PolarHBondContact O-N 2.81Å; M412-R418 PolarHBondContact O-NH2 3.42Å; M412-V420 HydrophobicContact CE-CG2 3.7Å; M412-V420 HydrophobicContact SD-CG2 4.09Å
413	G	91.6	Very high	94.2	Very high	33 Å²	33	35.6 Å²	35.6	34%	0.34	18%	0.184	S	C	.	.			trans	79.6	161.6	-176.2	0	0	0	0	0	113.8	L410 A411 N415 R418 F446	L410-G413 PolarHBondContact O-N 3.26Å; A411-G413 VanDerWaalsContact C-N 3.33Å; G413-N415 PolarHBondContact O-N 3.32Å; G413-R418 PolarHBondContact O-NH2 3.16Å; G413-F446 WeakPolarHBondContact O-CD1 3.26Å
414	E	93.1	Very high	94.2	Very high	147 Å²	147	35.5 Å²	35.5	69%	0.687	18%	0.183	S	C	*	.			trans	-67.8	124.4	-177.6	-64.4	-170.8	174.8	0	0	111.5	F446	E414-F446 HydrophobicContact CG-CD1 4.42Å; E414-F446 HydrophobicContact CG-CE1 3.94Å; E414-F446 HydrophobicContact CG-CZ 4.2Å
415	N	92.8	Very high	94	Very high	45 Å²	45	36 Å²	36	24%	0.241	19%	0.186	C	C	.	.			trans	-158.3	104.7	169.5	-176.5	-6.7	0	0	0	108.6	E375 G413 N417 R418 K445 F446 G447	E375-N415 PolarHBondContact OE1-ND2 3.1Å; G413-N415 PolarHBondContact O-N 3.32Å; N415-N417 VanDerWaalsContact C-N 3.27Å; N415-N417 PolarHBondContact O-N 3.08Å; N415-N417 WeakPolarHBondContact OD1-CB 3.38Å; N415-N417 PolarHBondContact OD1-N 2.92Å; N415-R418 HydrophobicContact CB-CB 3.96Å; N415-R418 PolarHBondContact OD1-N 2.87Å; N415-K445 CarbonylContact C-O 3.57Å; N415-K445 PolarHBondContact N-O 3.37Å; N415-K445 VanDerWaalsContact N-O 3.14Å; N415-F446 CarbonylContact O-C 3.51Å; N415-G447 PolarHBondContact O-N 2.78Å
416	R	89.4	Confident	93.7	Very high	130 Å²	130	37.4 Å²	37.4	49%	0.491	19%	0.193	S	C	.	.	S	Bend	trans	-76.4	-13.3	-179.6	-62.1	-173.2	71.5	-167.1	2.1	113.7	R419 R444	R416-R419 PolarHBondContact O-NH1 3.01Å; R416-R444 VanDerWaalsContact NH2-CZ 3.32Å
417	N	91.7	Very high	93.5	Very high	141 Å²	141	37.5 Å²	37.5	75%	0.754	19%	0.193	S	C	*	.	S	Bend	trans	-88.9	-23.9	178.7	-63.1	-25.9	0	0	0	111.9	N415 R419	N415-N417 VanDerWaalsContact C-N 3.27Å; N415-N417 PolarHBondContact O-N 3.08Å; N415-N417 WeakPolarHBondContact OD1-CB 3.38Å; N415-N417 PolarHBondContact OD1-N 2.92Å; N417-R419 VanDerWaalsContact C-NH1 3.34Å; N417-R419 PolarHBondContact O-NH1 2.77Å; N417-R419 VanDerWaalsContact O-NH1 3.14Å
418	R	93.3	Very high	93.3	Very high	21 Å²	21	35.6 Å²	35.6	8%	0.079	19%	0.188	C	C	.	.			trans	-64	148.8	171.5	168.4	169	38.2	-142.1	10.5	111.2	E375 M412 G413 N415 V420 G447	E375-R418 WeakPolarHBondContact OE1-CD 3.32Å; E375-R418 IonicContact OE1-CZ 3.49Å; E375-R418 IonicContact OE1-NE 2.9Å; E375-R418 PolarHBondContact OE1-NE 3.14Å; E375-R418 IonicContact OE1-NH1 3.7Å; E375-R418 PolarHBondContact OE1-NH1 2.58Å; M412-R418 PolarHBondContact O-NH2 3.42Å; G413-R418 PolarHBondContact O-NH2 3.16Å; N415-R418 HydrophobicContact CB-CB 3.96Å; N415-R418 PolarHBondContact OD1-N 2.87Å; R418-V420 HydrophobicContact CG-CG2 3.91Å; R418-G447 WeakPolarHBondContact O-CA 3.48Å
419	R	95.2	Very high	93.3	Very high	23 Å²	23	36.3 Å²	36.3	9%	0.087	19%	0.191	C	C	.	.			trans	-124.9	114.7	172.4	-61.3	-68.8	175.1	-85.5	-1.6	109.5	D182 E184 D214 R416 N417 G447 C449	D182-R419 IonicContact OD1-NH2 2.89Å; D182-R419 PolarHBondContact OD1-NH2 2.74Å; E184-R419 IonicContact OE2-NE 3.34Å; D214-R419 HydrophobicContact CB-CB 4.34Å; R416-R419 PolarHBondContact O-NH1 3.01Å; N417-R419 VanDerWaalsContact C-NH1 3.34Å; N417-R419 PolarHBondContact O-NH1 2.77Å; N417-R419 VanDerWaalsContact O-NH1 3.14Å; R419-G447 WeakPolarHBondContact CA-O 3.39Å; R419-C449 WeakPolarHBondContact CD-SG 3.42Å
420	V	96.9	Very high	93.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	110.2	171.2	-174.6	0	0	0	0	107.7	M215 M370 L409 M412 R418 F422 G447 C449	M215-V420 HydrophobicContact CG-CG1 4.36Å; M215-V420 WeakPolarHBondContact O-CA 3.44Å; M215-V420 HydrophobicContact SD-CG1 4.47Å; M370-V420 HydrophobicContact CE-CG1 4.18Å; L409-V420 HydrophobicContact CD1-CB 3.83Å; L409-V420 HydrophobicContact CD1-CG1 4.2Å; L409-V420 HydrophobicContact CD1-CG2 3.87Å; M412-V420 HydrophobicContact CE-CG2 3.7Å; M412-V420 HydrophobicContact SD-CG2 4.09Å; R418-V420 HydrophobicContact CG-CG2 3.91Å; V420-F422 HydrophobicContact CB-CE2 4.45Å; V420-F422 HydrophobicContact CG1-CD2 4.43Å; V420-F422 HydrophobicContact CG1-CE2 3.73Å; V420-F422 HydrophobicContact CG1-CZ 4.26Å; V420-G447 PolarHBondContact N-O 3.14Å; V420-C449 PolarHBondContact O-N 3.07Å
421	W	97.9	Very high	93.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.4	-175.1	-64.2	84.7	0	0	0	112	I172 E184 F188 A209 D214 M215 V216 V217 F423 C449 V451	I172-W421 HydrophobicContact CD1-CH2 3.86Å; I172-W421 HydrophobicContact CD1-CZ2 3.75Å; E184-W421 HydrophobicContact CB-CH2 3.68Å; E184-W421 HydrophobicContact CB-CZ2 4.01Å; E184-W421 HydrophobicContact CB-CZ3 4.42Å; E184-W421 HydrophobicContact CG-CH2 3.56Å; E184-W421 HydrophobicContact CG-CZ2 3.83Å; F188-W421 HydrophobicContact CD2-CZ3 4.33Å; F188-W421 HydrophobicContact CE2-CH2 4.06Å; F188-W421 AromaticContact CE2-CZ3 3.72Å; F188-W421 HydrophobicContact CE2-CZ3 3.72Å; F188-W421 HydrophobicContact CZ-CH2 4.42Å; F188-W421 HydrophobicContact CZ-CZ3 4.42Å; A209-W421 HydrophobicContact CB-CG 4.2Å; D214-W421 PolarHBondContact OD2-NE1 3.26Å; M215-W421 PolarHBondContact O-N 2.77Å; V216-W421 CarbonylContact C-O 3.55Å; V216-W421 WeakPolarHBondContact CA-O 3.42Å; V216-W421 HydrophobicContact CB-CB 4.4Å; V216-W421 HydrophobicContact CG1-CB 4.12Å; V216-W421 HydrophobicContact CG2-CB 4.01Å; V216-W421 HydrophobicContact CG2-CG 4.4Å; V217-W421 PolarHBondContact N-O 3.35Å; W421-F423 HydrophobicContact CB-CD2 4.15Å; W421-F423 HydrophobicContact CB-CE2 3.6Å; W421-F423 HydrophobicContact CB-CZ 4.04Å; W421-F423 HydrophobicContact CD2-CE2 4.39Å; W421-F423 AromaticContact CD2-CZ 3.96Å; W421-F423 HydrophobicContact CD2-CZ 3.96Å; W421-F423 AromaticContact CE3-CE1 3.99Å; W421-F423 HydrophobicContact CE3-CE1 3.99Å; W421-F423 HydrophobicContact CE3-CE2 4.4Å; W421-F423 AromaticContact CE3-CZ 3.65Å; W421-F423 HydrophobicContact CE3-CZ 3.65Å; W421-F423 HydrophobicContact CG-CE2 4.1Å; W421-F423 HydrophobicContact CG-CZ 4.16Å; W421-F423 HydrophobicContact CZ3-CE1 4.49Å; W421-F423 HydrophobicContact CZ3-CZ 4.38Å; W421-C449 CarbonylContact C-O 3.52Å; W421-C449 VanDerWaalsContact CA-O 3.32Å; W421-C449 WeakPolarHBondContact CA-O 3.3Å; W421-C449 HydrophobicContact CD2-CB 3.74Å; W421-C449 HydrophobicContact CE3-CB 3.61Å; W421-C449 HydrophobicContact CG-CB 4.27Å; W421-C449 HydrophobicContact CH2-CB 4.41Å; W421-C449 HydrophobicContact CZ3-CB 3.97Å; W421-V451 HydrophobicContact CE3-CG2 4.02Å; W421-V451 HydrophobicContact CZ3-CG2 4Å
422	F	98	Very high	93.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	102.8	170.5	-70	-96.4	0	0	0	108.7	V217 M370 L402 A405 I406 L409 V420 C449 Y450 V451	V217-F422 HydrophobicContact CB-CD1 3.83Å; V217-F422 HydrophobicContact CB-CE1 3.98Å; V217-F422 HydrophobicContact CG1-CD1 4.17Å; V217-F422 HydrophobicContact CG1-CE1 4.3Å; V217-F422 HydrophobicContact CG2-CD1 4.29Å; V217-F422 HydrophobicContact CG2-CE1 3.94Å; V217-F422 HydrophobicContact CG2-CZ 4.39Å; V217-F422 WeakPolarHBondContact O-CA 2.95Å; M370-F422 HydrophobicContact CE-CZ 3.95Å; L402-F422 HydrophobicContact CD1-CD1 4.25Å; A405-F422 HydrophobicContact CB-CE1 3.86Å; I406-F422 HydrophobicContact CG1-CD1 4.37Å; I406-F422 HydrophobicContact CG1-CE1 4.15Å; L409-F422 HydrophobicContact CB-CZ 4.47Å; L409-F422 HydrophobicContact CD2-CE2 4.31Å; V420-F422 HydrophobicContact CB-CE2 4.45Å; V420-F422 HydrophobicContact CG1-CD2 4.43Å; V420-F422 HydrophobicContact CG1-CE2 3.73Å; V420-F422 HydrophobicContact CG1-CZ 4.26Å; F422-C449 PolarHBondContact N-O 3.2Å; F422-Y450 HydrophobicContact CB-CD1 3.5Å; F422-Y450 VanDerWaalsContact CB-CD1 3.5Å; F422-Y450 HydrophobicContact CB-CE1 3.74Å; F422-Y450 HydrophobicContact CB-CG 4.14Å; F422-Y450 HydrophobicContact CD1-CE1 4.12Å; F422-Y450 HydrophobicContact CD2-CD1 4.14Å; F422-Y450 AromaticContact CD2-CE1 3.69Å; F422-Y450 HydrophobicContact CD2-CE1 3.69Å; F422-Y450 HydrophobicContact CD2-CE2 4.09Å; F422-Y450 AromaticContact CD2-CZ 3.67Å; F422-Y450 HydrophobicContact CE2-CE1 4.3Å; F422-Y450 HydrophobicContact CE2-CE2 4.49Å; F422-Y450 AromaticContact CE2-CZ 3.96Å; F422-Y450 AromaticContact CG-CD1 3.9Å; F422-Y450 HydrophobicContact CG-CD1 3.9Å; F422-Y450 AromaticContact CG-CE1 3.58Å; F422-Y450 HydrophobicContact CG-CE1 3.58Å; F422-V451 PolarHBondContact O-N 2.63Å
423	F	97.7	Very high	93.4	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	111.5	175	-63.9	-73.7	0	0	0	109.3	I202 L205 A206 V216 V217 I218 Y219 W421 V451	I202-F423 HydrophobicContact CG2-CB 3.99Å; I202-F423 HydrophobicContact CG2-CD1 3.62Å; I202-F423 HydrophobicContact CG2-CE1 4.35Å; I202-F423 HydrophobicContact CG2-CG 3.97Å; L205-F423 HydrophobicContact CB-CE1 3.68Å; L205-F423 HydrophobicContact CB-CZ 3.96Å; L205-F423 HydrophobicContact CD1-CE1 4.38Å; A206-F423 HydrophobicContact CB-CE2 4.21Å; A206-F423 HydrophobicContact CB-CZ 4.27Å; V216-F423 HydrophobicContact CG1-CD2 3.38Å; V216-F423 HydrophobicContact CG1-CE2 3.53Å; V216-F423 HydrophobicContact CG2-CE2 4.4Å; V217-F423 PolarHBondContact O-N 3.14Å; I218-F423 HydrophobicContact CD1-CD2 4.33Å; I218-F423 HydrophobicContact CG1-CB 4.35Å; I218-F423 HydrophobicContact CG1-CD2 4.1Å; I218-F423 HydrophobicContact CG2-CB 4.34Å; Y219-F423 PolarHBondContact N-O 2.57Å; W421-F423 HydrophobicContact CB-CD2 4.15Å; W421-F423 HydrophobicContact CB-CE2 3.6Å; W421-F423 HydrophobicContact CB-CZ 4.04Å; W421-F423 HydrophobicContact CD2-CE2 4.39Å; W421-F423 AromaticContact CD2-CZ 3.96Å; W421-F423 HydrophobicContact CD2-CZ 3.96Å; W421-F423 AromaticContact CE3-CE1 3.99Å; W421-F423 HydrophobicContact CE3-CE1 3.99Å; W421-F423 HydrophobicContact CE3-CE2 4.4Å; W421-F423 AromaticContact CE3-CZ 3.65Å; W421-F423 HydrophobicContact CE3-CZ 3.65Å; W421-F423 HydrophobicContact CG-CE2 4.1Å; W421-F423 HydrophobicContact CG-CZ 4.16Å; W421-F423 HydrophobicContact CZ3-CE1 4.49Å; W421-F423 HydrophobicContact CZ3-CZ 4.38Å; F423-V451 HydrophobicContact CD1-CB 3.63Å; F423-V451 HydrophobicContact CD1-CG1 4.03Å; F423-V451 HydrophobicContact CD1-CG2 3.72Å; F423-V451 HydrophobicContact CE1-CB 4.04Å; F423-V451 HydrophobicContact CE1-CG1 4.4Å; F423-V451 HydrophobicContact CE1-CG2 3.61Å
424	C	95.4	Very high	93.3	Very high	3 Å²	3	35 Å²	35	2%	0.02	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	91.3	176.8	-51.2	0	0	0	0	109.2	Y219 L427 V451 F452 G453	Y219-C424 HydrophobicContact CD1-CB 4.41Å; C424-L427 HydrophobicContact CB-CB 4.4Å; C424-L427 HydrophobicContact CB-CD1 3.96Å; C424-V451 PolarHBondContact N-O 3.13Å; C424-F452 HydrophobicContact CB-CD1 3.87Å; C424-F452 HydrophobicContact CB-CE1 4.24Å; C424-G453 PolarHBondContact O-N 3.38Å
425	D	92.2	Very high	93.2	Very high	25 Å²	25	28.6 Å²	28.6	13%	0.134	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.2	170.5	-156.2	6.4	0	0	0	108.1	S199 I202 Y219 F225	S199-D425 WeakPolarHBondContact CB-OD2 3.1Å; S199-D425 PolarHBondContact OG-OD2 2.95Å; I202-D425 HydrophobicContact CD1-CB 3.71Å; Y219-D425 WeakPolarHBondContact CD1-O 3.22Å; Y219-D425 WeakPolarHBondContact CE1-O 3.13Å; F225-D425 HydrophobicContact CE2-CB 4.13Å; F225-D425 HydrophobicContact CZ-CB 4.43Å
426	E	91.1	Very high	93.2	Very high	29 Å²	29	26.5 Å²	26.5	14%	0.136	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	50.5	-178.8	-156.9	66.7	-141.7	0	0	114.3	P428 T429 G453 Q455	E426-P428 VanDerWaalsContact C-N 3.3Å; E426-T429 HydrophobicContact CB-CG2 4.34Å; E426-T429 HydrophobicContact CG-CG2 3.4Å; E426-T429 VanDerWaalsContact CG-CG2 3.4Å; E426-T429 WeakPolarHBondContact O-CB 3.09Å; E426-T429 PolarHBondContact O-N 3.48Å; E426-T429 VanDerWaalsContact O-N 3.08Å; E426-T429 PolarHBondContact O-OG1 3.22Å; E426-G453 VanDerWaalsContact CA-O 3.27Å; E426-G453 WeakPolarHBondContact CA-O 3.2Å; E426-G453 PolarHBondContact N-O 2.88Å; E426-Q455 WeakPolarHBondContact OE1-CG 3.46Å; E426-Q455 PolarHBondContact OE1-NE2 3.05Å; E426-Q455 WeakPolarHBondContact OE2-CG 3.49Å; E426-Q455 PolarHBondContact OE2-NE2 2.79Å
427	L	90.9	Very high	93.3	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.016	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-47.1	-41.4	178.8	-177	74.4	0	0	0	114.5	C424 T429 L430 L433 L436 F452 G453 L460	C424-L427 HydrophobicContact CB-CB 4.4Å; C424-L427 HydrophobicContact CB-CD1 3.96Å; L427-T429 PolarHBondContact O-N 2.78Å; L427-L430 HydrophobicContact CD1-CD1 4.23Å; L427-L430 PolarHBondContact O-N 3.34Å; L427-L430 VanDerWaalsContact O-N 3.09Å; L427-L433 HydrophobicContact CD1-CD1 4.29Å; L427-L436 HydrophobicContact CD1-CD2 4.18Å; L427-L436 HydrophobicContact CD2-CD2 3.82Å; L427-F452 HydrophobicContact CD2-CD1 4.34Å; L427-F452 HydrophobicContact CD2-CD2 4.13Å; L427-F452 HydrophobicContact CD2-CE2 4.38Å; L427-F452 HydrophobicContact CD2-CG 4.15Å; L427-G453 PolarHBondContact N-O 3.01Å; L427-L460 HydrophobicContact CD2-CD1 4.33Å
428	P	90.9	Very high	93.3	Very high	15 Å²	15	21.6 Å²	21.6	10%	0.097	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-63.8	-6.3	-178.1	-24.9	37.2	0	0	0	115.2	E426 L430 I454 Q459 I463	E426-P428 VanDerWaalsContact C-N 3.3Å; P428-L430 PolarHBondContact O-N 3.39Å; P428-I454 HydrophobicContact CG-CG2 4.25Å; P428-Q459 HydrophobicContact CB-CB 3.86Å; P428-Q459 HydrophobicContact CG-CB 3.88Å; P428-I463 HydrophobicContact CB-CD1 3.56Å; P428-I463 WeakPolarHBondContact O-CD1 3.36Å
429	T	91.9	Very high	93.3	Very high	22 Å²	22	21.2 Å²	21.2	14%	0.135	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-78.9	-9.9	175	58	0	0	0	0	114	Y219 H391 K395 E426 L427	Y219-T429 PolarHBondContact OH-OG1 2.95Å; H391-T429 PolarHBondContact NE2-O 3.15Å; K395-T429 WeakPolarHBondContact CD-O 3.26Å; K395-T429 WeakPolarHBondContact CE-O 3.36Å; K395-T429 PolarHBondContact NZ-O 3.26Å; E426-T429 HydrophobicContact CB-CG2 4.34Å; E426-T429 HydrophobicContact CG-CG2 3.4Å; E426-T429 VanDerWaalsContact CG-CG2 3.4Å; E426-T429 WeakPolarHBondContact O-CB 3.09Å; E426-T429 PolarHBondContact O-N 3.48Å; E426-T429 VanDerWaalsContact O-N 3.08Å; E426-T429 PolarHBondContact O-OG1 3.22Å; L427-T429 PolarHBondContact O-N 2.78Å
430	L	92.9	Very high	93.2	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.103	C	C	.	.	S	Bend	trans	-86.5	171.5	176.5	-61.6	178.7	0	0	0	112.3	Y219 K395 I398 L402 L427 P428 L433	Y219-L430 HydrophobicContact CD1-CD1 4.16Å; Y219-L430 HydrophobicContact CD1-CG 4.47Å; Y219-L430 HydrophobicContact CD2-CD2 4.22Å; Y219-L430 HydrophobicContact CE1-CD1 4.24Å; Y219-L430 HydrophobicContact CE1-CD2 4.16Å; Y219-L430 HydrophobicContact CE1-CG 4.06Å; Y219-L430 HydrophobicContact CE2-CD2 3.68Å; Y219-L430 HydrophobicContact CE2-CG 4.43Å; Y219-L430 HydrophobicContact CG-CD1 4.3Å; K395-L430 WeakPolarHBondContact CE-O 3.31Å; K395-L430 PolarHBondContact NZ-O 3.39Å; I398-L430 HydrophobicContact CG2-CD2 3.58Å; L402-L430 HydrophobicContact CD2-CD1 3.42Å; L402-L430 VanDerWaalsContact CD2-CD1 3.42Å; L427-L430 HydrophobicContact CD1-CD1 4.23Å; L427-L430 PolarHBondContact O-N 3.34Å; L427-L430 VanDerWaalsContact O-N 3.09Å; P428-L430 PolarHBondContact O-N 3.39Å; L430-L433 HydrophobicContact CD1-CD1 4.13Å
431	H	92.4	Very high	92.9	Very high	30 Å²	30	23.3 Å²	23.3	14%	0.139	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-71.5	165	165.1	-73.2	161	0	0	0	109.8	P269 Y347 K395 S399 L433	P269-H431 HydrophobicContact CB-CB 4.09Å; P269-H431 HydrophobicContact CG-CB 4.06Å; Y347-H431 AromaticContact CD1-CE1 3.9Å; Y347-H431 AromaticContact CE1-CE1 3.91Å; K395-H431 WeakPolarHBondContact CE-CD2 3.28Å; S399-H431 PolarHBondContact OG-N 2.94Å; H431-L433 WeakPolarHBondContact O-CG 3.39Å; H431-L433 PolarHBondContact O-N 3.42Å
432	K	92.1	Very high	92.7	Very high	61 Å²	61	28 Å²	28	27%	0.265	15%	0.146	S	C	.	.	P	Polyproline II helix	trans	-51.4	128.1	168.6	-173.9	175.3	-173.6	163.4	0	109.1	P434 I463 Y464	K432-P434 WeakPolarHBondContact O-CD 3.33Å; K432-I463 HydrophobicContact CB-CG2 3.96Å; K432-I463 WeakPolarHBondContact CD-O 3.43Å; K432-Y464 HydrophobicContact CG-CD1 3.98Å; K432-Y464 HydrophobicContact CG-CE1 4.12Å; K432-Y464 PolarHBondContact NZ-O 3.43Å
433	L	93.5	Very high	92.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.			trans	-108.4	91.7	176.4	-58.1	175.7	0	0	0	108.2	T266 S399 L402 I406 L427 L430 H431 D435 L436	T266-L433 HydrophobicContact CG2-CD2 3.51Å; S399-L433 WeakPolarHBondContact O-CD2 3.47Å; L402-L433 HydrophobicContact CD2-CD1 3.76Å; L402-L433 HydrophobicContact CG-CD1 4.28Å; I406-L433 HydrophobicContact CD1-CD1 4.24Å; L427-L433 HydrophobicContact CD1-CD1 4.29Å; L430-L433 HydrophobicContact CD1-CD1 4.13Å; H431-L433 WeakPolarHBondContact O-CG 3.39Å; H431-L433 PolarHBondContact O-N 3.42Å; L433-D435 VanDerWaalsContact C-N 3.28Å; L433-D435 PolarHBondContact O-N 3.47Å; L433-L436 HydrophobicContact CB-CB 3.8Å; L433-L436 HydrophobicContact CD1-CD2 4.45Å; L433-L436 WeakPolarHBondContact O-CB 3.15Å; L433-L436 PolarHBondContact O-N 3.08Å
434	P	89.4	Confident	92.3	Very high	39 Å²	39	32.5 Å²	32.5	25%	0.253	16%	0.162	S	C	.	.	H	α-helix	trans	-58.3	-42.7	-178.2	-23.3	34.4	0	0	0	112	K432 L436 V437 E438	K432-P434 WeakPolarHBondContact O-CD 3.33Å; P434-L436 PolarHBondContact O-N 2.75Å; P434-L436 VanDerWaalsContact O-N 3.12Å; P434-V437 PolarHBondContact O-N 2.92Å; P434-E438 PolarHBondContact O-N 3.28Å
435	D	91.7	Very high	92.3	Very high	12 Å²	12	37 Å²	37	6%	0.064	18%	0.182	C	C	.	.	H	α-helix	trans	-54.3	-33.6	176.4	-67.9	-44.8	0	0	0	112.5	S403 I406 R407 L433 E438 I439	S403-D435 WeakPolarHBondContact CB-OD2 3.49Å; S403-D435 PolarHBondContact OG-OD2 2.98Å; I406-D435 HydrophobicContact CG2-CB 4.27Å; R407-D435 IonicContact CZ-OD1 3.53Å; R407-D435 IonicContact CZ-OD2 2.82Å; R407-D435 IonicContact NE-OD1 3.03Å; R407-D435 PolarHBondContact NE-OD1 3.13Å; R407-D435 IonicContact NH2-OD1 2.84Å; R407-D435 PolarHBondContact NH2-OD1 2.99Å; R407-D435 IonicContact NH2-OD2 2.77Å; R407-D435 PolarHBondContact NH2-OD2 3.35Å; L433-D435 VanDerWaalsContact C-N 3.28Å; L433-D435 PolarHBondContact O-N 3.47Å; D435-E438 PolarHBondContact O-N 2.97Å; D435-I439 HydrophobicContact CB-CD1 4.11Å; D435-I439 WeakPolarHBondContact O-CB 3.32Å; D435-I439 WeakPolarHBondContact O-CG1 3.29Å; D435-I439 PolarHBondContact O-N 2.84Å
436	L	92.7	Very high	92.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-66.1	-42.4	-179.5	-174.7	66.3	0	0	0	111.5	I406 L427 L433 P434 L440 Y450 F452 L472	I406-L436 HydrophobicContact CD1-CB 4.05Å; I406-L436 HydrophobicContact CD1-CD1 3.74Å; I406-L436 HydrophobicContact CD1-CG 4.42Å; I406-L436 HydrophobicContact CG1-CD1 4.46Å; L427-L436 HydrophobicContact CD1-CD2 4.18Å; L427-L436 HydrophobicContact CD2-CD2 3.82Å; L433-L436 HydrophobicContact CB-CB 3.8Å; L433-L436 HydrophobicContact CD1-CD2 4.45Å; L433-L436 WeakPolarHBondContact O-CB 3.15Å; L433-L436 PolarHBondContact O-N 3.08Å; P434-L436 PolarHBondContact O-N 2.75Å; P434-L436 VanDerWaalsContact O-N 3.12Å; L436-L440 WeakPolarHBondContact O-CB 3.25Å; L436-L440 PolarHBondContact O-N 3.43Å; L436-Y450 HydrophobicContact CD1-CD1 4.12Å; L436-Y450 HydrophobicContact CD1-CE1 3.9Å; L436-F452 HydrophobicContact CD1-CE1 4.46Å; L436-F452 HydrophobicContact CD1-CE2 4.41Å; L436-F452 HydrophobicContact CD1-CZ 3.64Å; L436-F452 HydrophobicContact CD2-CE2 4.23Å; L436-F452 HydrophobicContact CD2-CZ 3.94Å; L436-F452 HydrophobicContact CG-CZ 4.29Å; L436-L472 HydrophobicContact CD2-CD1 4.43Å; L436-L472 HydrophobicContact CD2-CD2 4.17Å; L436-L472 HydrophobicContact CG-CD2 3.87Å
437	V	91.4	Very high	92.6	Very high	28 Å²	28	35.5 Å²	35.5	17%	0.17	17%	0.174	C	C	.	.	H	α-helix	trans	-67.7	-40.8	-179.7	-175.4	0	0	0	0	110.5	P434 P441 Y464 A468 T471 L472	P434-V437 PolarHBondContact O-N 2.92Å; V437-P441 WeakPolarHBondContact O-CD 3.44Å; V437-Y464 HydrophobicContact CG2-CD1 3.53Å; V437-Y464 HydrophobicContact CG2-CE1 3.85Å; V437-A468 HydrophobicContact CG1-CB 3.95Å; V437-A468 HydrophobicContact CG2-CB 4.16Å; V437-T471 HydrophobicContact CG1-CG2 4.45Å; V437-L472 HydrophobicContact CB-CD2 4.48Å; V437-L472 HydrophobicContact CG2-CD1 3.94Å; V437-L472 HydrophobicContact CG2-CD2 4.17Å; V437-L472 HydrophobicContact CG2-CG 4.02Å
438	E	91.6	Very high	92.9	Very high	140 Å²	140	35.4 Å²	35.4	65%	0.654	17%	0.173	S	C	*	.	H	α-helix	trans	-74.5	-40.4	-177	-67.1	177.5	-172.8	0	0	112.7	P434 D435	P434-E438 PolarHBondContact O-N 3.28Å; D435-E438 PolarHBondContact O-N 2.97Å
439	I	92.9	Very high	93.2	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.062	17%	0.168	C	C	.	.	H	α-helix	trans	-91.7	-32.4	-168.1	-62.6	-179.5	0	0	0	112.5	I406 R407 L410 D435 P441 E442 A443	I406-I439 HydrophobicContact CG2-CB 4.1Å; I406-I439 HydrophobicContact CG2-CD1 4.14Å; I406-I439 HydrophobicContact CG2-CG2 4.19Å; R407-I439 HydrophobicContact CB-CD1 4.08Å; R407-I439 HydrophobicContact CG-CD1 4.17Å; L410-I439 HydrophobicContact CD1-CD1 3.69Å; L410-I439 HydrophobicContact CD1-CG1 3.87Å; L410-I439 HydrophobicContact CD1-CG2 4.09Å; L410-I439 HydrophobicContact CD2-CG2 3.9Å; L410-I439 HydrophobicContact CG-CD1 4.3Å; L410-I439 HydrophobicContact CG-CG2 3.91Å; D435-I439 HydrophobicContact CB-CD1 4.11Å; D435-I439 WeakPolarHBondContact O-CB 3.32Å; D435-I439 WeakPolarHBondContact O-CG1 3.29Å; D435-I439 PolarHBondContact O-N 2.84Å; I439-P441 VanDerWaalsContact C-CD 3.44Å; I439-E442 PolarHBondContact O-N 3.32Å; I439-A443 PolarHBondContact O-N 3.4Å
440	L	93.3	Very high	93.4	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-40.3	-173.7	-173.2	63.9	0	0	0	114.1	L436 E442 A443 Y450 F452 L472 V475	L436-L440 WeakPolarHBondContact O-CB 3.25Å; L436-L440 PolarHBondContact O-N 3.43Å; L440-E442 VanDerWaalsContact C-N 3.26Å; L440-E442 PolarHBondContact O-N 2.93Å; L440-A443 PolarHBondContact O-N 3.22Å; L440-Y450 HydrophobicContact CD1-CD1 3.86Å; L440-Y450 HydrophobicContact CD1-CD2 3.15Å; L440-Y450 HydrophobicContact CD1-CE1 4.21Å; L440-Y450 HydrophobicContact CD1-CE2 3.59Å; L440-Y450 HydrophobicContact CD1-CG 3.3Å; L440-F452 HydrophobicContact CD2-CE2 3.75Å; L440-F452 HydrophobicContact CD2-CZ 4.22Å; L440-L472 HydrophobicContact CD2-CD2 3.68Å; L440-V475 HydrophobicContact CB-CG2 4.4Å; L440-V475 HydrophobicContact CD2-CG2 3.34Å; L440-V475 HydrophobicContact CG-CG2 3.57Å
441	P	92.1	Very high	93.6	Very high	66 Å²	66	33.6 Å²	33.6	43%	0.429	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-31.2	175	-23.3	34.2	0	0	0	114.2	V437 I439 V475	V437-P441 WeakPolarHBondContact O-CD 3.44Å; I439-P441 VanDerWaalsContact C-CD 3.44Å; P441-V475 HydrophobicContact CB-CG1 4.27Å; P441-V475 HydrophobicContact CG-CG1 4.16Å
442	E	92.7	Very high	93.8	Very high	99 Å²	99	32.3 Å²	32.3	46%	0.463	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-17.4	-178	-61.4	-160.8	-176.9	0	0	113.7	I439 L440 R444 K445 F446	I439-E442 PolarHBondContact O-N 3.32Å; L440-E442 VanDerWaalsContact C-N 3.26Å; L440-E442 PolarHBondContact O-N 2.93Å; E442-R444 PolarHBondContact O-N 3Å; E442-K445 PolarHBondContact O-N 2.9Å; E442-F446 WeakPolarHBondContact O-CD2 3.24Å
443	A	94	Very high	93.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-54.8	-27.1	-174.1	0	0	0	0	0	114.1	L409 I439 L440 K445 F446 G447 G448 Y450	L409-A443 HydrophobicContact CD2-CB 3.75Å; I439-A443 PolarHBondContact O-N 3.4Å; L440-A443 PolarHBondContact O-N 3.22Å; A443-K445 PolarHBondContact O-N 2.98Å; A443-F446 PolarHBondContact O-N 3.25Å; A443-G447 PolarHBondContact O-N 2.98Å; A443-G448 PolarHBondContact O-N 3.04Å; A443-Y450 HydrophobicContact CB-CD2 4.41Å; A443-Y450 HydrophobicContact CB-CE2 3.59Å
444	R	94.2	Very high	94	Very high	94 Å²	94	29.5 Å²	29.5	36%	0.355	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-55.4	-34.4	175.5	-174	173	-173.9	-162.4	-0.3	113.4	I185 R416 E442 F446	I185-R444 HydrophobicContact CB-CG 3.94Å; I185-R444 HydrophobicContact CD1-CG 3.6Å; I185-R444 HydrophobicContact CG1-CG 3.75Å; I185-R444 WeakPolarHBondContact O-CB 3.45Å; I185-R444 WeakPolarHBondContact O-CG 3.34Å; R416-R444 VanDerWaalsContact NH2-CZ 3.32Å; E442-R444 PolarHBondContact O-N 3Å; R444-F446 PolarHBondContact O-N 3.01Å
445	K	94.6	Very high	94.2	Very high	99 Å²	99	30 Å²	30	43%	0.43	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-68.8	-26.8	178.8	-63	175.9	-174.6	168.1	0	112.2	N415 E442 A443	N415-K445 CarbonylContact C-O 3.57Å; N415-K445 PolarHBondContact N-O 3.37Å; N415-K445 VanDerWaalsContact N-O 3.14Å; E442-K445 PolarHBondContact O-N 2.9Å; A443-K445 PolarHBondContact O-N 2.98Å
446	F	95	Very high	94.1	Very high	22 Å²	22	30 Å²	30	10%	0.096	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-99.4	-1.1	-175.8	-58.1	-88.8	0	0	0	113.2	L409 L410 G413 E414 N415 E442 A443 R444	L409-F446 HydrophobicContact CD1-CB 4.11Å; L409-F446 HydrophobicContact CD2-CB 4.36Å; L409-F446 HydrophobicContact CG-CB 3.86Å; L410-F446 HydrophobicContact CD2-CD1 4.38Å; L410-F446 HydrophobicContact CD2-CD2 3.47Å; L410-F446 VanDerWaalsContact CD2-CD2 3.47Å; L410-F446 HydrophobicContact CD2-CE1 4.23Å; L410-F446 HydrophobicContact CD2-CE2 3.29Å; L410-F446 HydrophobicContact CD2-CG 4.05Å; L410-F446 HydrophobicContact CD2-CZ 3.71Å; L410-F446 WeakPolarHBondContact O-CE1 3.4Å; G413-F446 WeakPolarHBondContact O-CD1 3.26Å; E414-F446 HydrophobicContact CG-CD1 4.42Å; E414-F446 HydrophobicContact CG-CE1 3.94Å; E414-F446 HydrophobicContact CG-CZ 4.2Å; N415-F446 CarbonylContact O-C 3.51Å; E442-F446 WeakPolarHBondContact O-CD2 3.24Å; A443-F446 PolarHBondContact O-N 3.25Å; R444-F446 PolarHBondContact O-N 3.01Å
447	G	94.6	Very high	94.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	15	-179.4	0	0	0	0	0	114.5	N415 R418 R419 V420 A443	N415-G447 PolarHBondContact O-N 2.78Å; R418-G447 WeakPolarHBondContact O-CA 3.48Å; R419-G447 WeakPolarHBondContact CA-O 3.39Å; V420-G447 PolarHBondContact N-O 3.14Å; A443-G447 PolarHBondContact O-N 2.98Å
448	G	96.6	Very high	94.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	132.9	177.9	0	0	0	0	0	112.5	I185 A443	I185-G448 WeakPolarHBondContact CA-O 3.14Å; A443-G448 PolarHBondContact O-N 3.04Å
449	C	97.1	Very high	94.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	104.2	179	-56.1	0	0	0	0	109.1	E184 R419 V420 W421 F422	E184-C449 HydrophobicContact CB-CB 4.36Å; E184-C449 WeakPolarHBondContact O-CB 3.33Å; R419-C449 WeakPolarHBondContact CD-SG 3.42Å; V420-C449 PolarHBondContact O-N 3.07Å; W421-C449 CarbonylContact C-O 3.52Å; W421-C449 VanDerWaalsContact CA-O 3.32Å; W421-C449 WeakPolarHBondContact CA-O 3.3Å; W421-C449 HydrophobicContact CD2-CB 3.74Å; W421-C449 HydrophobicContact CE3-CB 3.61Å; W421-C449 HydrophobicContact CG-CB 4.27Å; W421-C449 HydrophobicContact CH2-CB 4.41Å; W421-C449 HydrophobicContact CZ3-CB 3.97Å; F422-C449 PolarHBondContact N-O 3.2Å
450	Y	97.5	Very high	94	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138	-176	-67.4	-101.9	0	0	0	111.5	N187 F188 I406 L409 F422 L436 L440 A443 F452	N187-Y450 CarbonylContact C-O 3.58Å; N187-Y450 VanDerWaalsContact CA-O 3.3Å; N187-Y450 WeakPolarHBondContact CA-O 3.41Å; N187-Y450 WeakPolarHBondContact OD1-CB 3.42Å; N187-Y450 WeakPolarHBondContact OD1-CD2 3.26Å; N187-Y450 PolarHBondContact OD1-N 3.22Å; N187-Y450 VanDerWaalsContact OD1-N 3.09Å; F188-Y450 PolarHBondContact N-O 2.74Å; I406-Y450 HydrophobicContact CG1-CE1 4.21Å; L409-Y450 HydrophobicContact CD2-CE2 4.22Å; F422-Y450 HydrophobicContact CB-CD1 3.5Å; F422-Y450 VanDerWaalsContact CB-CD1 3.5Å; F422-Y450 HydrophobicContact CB-CE1 3.74Å; F422-Y450 HydrophobicContact CB-CG 4.14Å; F422-Y450 HydrophobicContact CD1-CE1 4.12Å; F422-Y450 HydrophobicContact CD2-CD1 4.14Å; F422-Y450 AromaticContact CD2-CE1 3.69Å; F422-Y450 HydrophobicContact CD2-CE1 3.69Å; F422-Y450 HydrophobicContact CD2-CE2 4.09Å; F422-Y450 AromaticContact CD2-CZ 3.67Å; F422-Y450 HydrophobicContact CE2-CE1 4.3Å; F422-Y450 HydrophobicContact CE2-CE2 4.49Å; F422-Y450 AromaticContact CE2-CZ 3.96Å; F422-Y450 AromaticContact CG-CD1 3.9Å; F422-Y450 HydrophobicContact CG-CD1 3.9Å; F422-Y450 AromaticContact CG-CE1 3.58Å; F422-Y450 HydrophobicContact CG-CE1 3.58Å; L436-Y450 HydrophobicContact CD1-CD1 4.12Å; L436-Y450 HydrophobicContact CD1-CE1 3.9Å; L440-Y450 HydrophobicContact CD1-CD1 3.86Å; L440-Y450 HydrophobicContact CD1-CD2 3.15Å; L440-Y450 HydrophobicContact CD1-CE1 4.21Å; L440-Y450 HydrophobicContact CD1-CE2 3.59Å; L440-Y450 HydrophobicContact CD1-CG 3.3Å; A443-Y450 HydrophobicContact CB-CD2 4.41Å; A443-Y450 HydrophobicContact CB-CE2 3.59Å; Y450-F452 AromaticContact CD1-CE1 3.77Å; Y450-F452 HydrophobicContact CD1-CE1 3.77Å; Y450-F452 AromaticContact CD1-CZ 3.6Å; Y450-F452 HydrophobicContact CD1-CZ 3.6Å; Y450-F452 HydrophobicContact CG-CE1 4.32Å; Y450-F452 HydrophobicContact CG-CZ 4.02Å
451	V	97.7	Very high	94	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	110.6	176.8	-176.7	0	0	0	0	108.7	F188 L190 I202 L205 W421 F422 F423 C424	F188-V451 HydrophobicContact CB-CB 4.3Å; F188-V451 HydrophobicContact CB-CG1 4.09Å; F188-V451 HydrophobicContact CB-CG2 4.05Å; F188-V451 HydrophobicContact CD2-CG2 3.67Å; F188-V451 HydrophobicContact CE2-CG2 4.43Å; F188-V451 HydrophobicContact CG-CG2 4.1Å; L190-V451 HydrophobicContact CD1-CG1 4.03Å; L190-V451 HydrophobicContact CG-CG1 4.38Å; I202-V451 HydrophobicContact CG1-CG1 4.08Å; L205-V451 HydrophobicContact CD1-CG1 4.16Å; L205-V451 HydrophobicContact CD1-CG2 3.97Å; W421-V451 HydrophobicContact CE3-CG2 4.02Å; W421-V451 HydrophobicContact CZ3-CG2 4Å; F422-V451 PolarHBondContact O-N 2.63Å; F423-V451 HydrophobicContact CD1-CB 3.63Å; F423-V451 HydrophobicContact CD1-CG1 4.03Å; F423-V451 HydrophobicContact CD1-CG2 3.72Å; F423-V451 HydrophobicContact CE1-CB 4.04Å; F423-V451 HydrophobicContact CE1-CG1 4.4Å; F423-V451 HydrophobicContact CE1-CG2 3.61Å; C424-V451 PolarHBondContact N-O 3.13Å
452	F	95.9	Very high	93.9	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.5	-178.4	-58.8	-27.6	0	0	0	111.7	F188 L190 C424 L427 L436 L440 Y450 M476	F188-F452 PolarHBondContact O-N 2.93Å; L190-F452 PolarHBondContact N-O 2.98Å; C424-F452 HydrophobicContact CB-CD1 3.87Å; C424-F452 HydrophobicContact CB-CE1 4.24Å; L427-F452 HydrophobicContact CD2-CD1 4.34Å; L427-F452 HydrophobicContact CD2-CD2 4.13Å; L427-F452 HydrophobicContact CD2-CE2 4.38Å; L427-F452 HydrophobicContact CD2-CG 4.15Å; L436-F452 HydrophobicContact CD1-CE1 4.46Å; L436-F452 HydrophobicContact CD1-CE2 4.41Å; L436-F452 HydrophobicContact CD1-CZ 3.64Å; L436-F452 HydrophobicContact CD2-CE2 4.23Å; L436-F452 HydrophobicContact CD2-CZ 3.94Å; L436-F452 HydrophobicContact CG-CZ 4.29Å; L440-F452 HydrophobicContact CD2-CE2 3.75Å; L440-F452 HydrophobicContact CD2-CZ 4.22Å; Y450-F452 AromaticContact CD1-CE1 3.77Å; Y450-F452 HydrophobicContact CD1-CE1 3.77Å; Y450-F452 AromaticContact CD1-CZ 3.6Å; Y450-F452 HydrophobicContact CD1-CZ 3.6Å; Y450-F452 HydrophobicContact CG-CE1 4.32Å; Y450-F452 HydrophobicContact CG-CZ 4.02Å; F452-M476 HydrophobicContact CB-SD 4.08Å; F452-M476 HydrophobicContact CD2-CE 4.43Å; F452-M476 HydrophobicContact CD2-CG 4.47Å; F452-M476 HydrophobicContact CD2-SD 3.48Å; F452-M476 WeakPolarHBondContact CD2-SD 3.43Å; F452-M476 HydrophobicContact CE2-SD 4.32Å; F452-M476 HydrophobicContact CG-SD 4.19Å
453	G	94.6	Very high	93.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	118	164.2	0	0	0	0	0	110.1	L190 C424 E426 L427	L190-G453 WeakPolarHBondContact O-CA 3.21Å; C424-G453 PolarHBondContact O-N 3.38Å; E426-G453 VanDerWaalsContact CA-O 3.27Å; E426-G453 WeakPolarHBondContact CA-O 3.2Å; E426-G453 PolarHBondContact N-O 2.88Å; L427-G453 PolarHBondContact N-O 3.01Å
454	I	94.6	Very high	93.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.4	175.1	61.7	174	0	0	0	110.4	L190 H191 G192 P428 F473	L190-I454 PolarHBondContact O-N 2.83Å; H191-I454 WeakPolarHBondContact CA-O 3.22Å; H191-I454 HydrophobicContact CB-CG1 4.33Å; G192-I454 PolarHBondContact N-O 3.17Å; G192-I454 VanDerWaalsContact N-O 3.11Å; P428-I454 HydrophobicContact CG-CG2 4.25Å; I454-F473 HydrophobicContact CD1-CD2 4.46Å; I454-F473 HydrophobicContact CD1-CE2 4.41Å
455	Q	93	Very high	93.6	Very high	50 Å²	50	28.2 Å²	28.2	23%	0.234	15%	0.149	C	C	.	.	S	Bend	trans	-87.7	-36.8	176.9	-57.8	180	18.5	0	0	112.6	G192 E426	G192-Q455 WeakPolarHBondContact O-CA 3.39Å; E426-Q455 WeakPolarHBondContact OE1-CG 3.46Å; E426-Q455 PolarHBondContact OE1-NE2 3.05Å; E426-Q455 WeakPolarHBondContact OE2-CG 3.49Å; E426-Q455 PolarHBondContact OE2-NE2 2.79Å
456	S	91.4	Very high	93.6	Very high	13 Å²	13	30.3 Å²	30.3	9%	0.091	16%	0.16	C	C	.	.			trans	-148.3	152.1	178.1	69.2	0	0	0	0	110	A458 Q459	S456-A458 VanDerWaalsContact C-N 3.31Å; S456-Q459 WeakPolarHBondContact OG-CG 3.38Å; S456-Q459 PolarHBondContact OG-N 2.79Å
457	Y	92.4	Very high	93.5	Very high	39 Å²	39	37.7 Å²	37.7	15%	0.153	19%	0.192	C	C	.	.	H	α-helix	trans	-63.1	-37.4	170.6	-177	-102	0	0	0	112.2	Q459 L460 E461 A469 A470 F473 F492	Y457-Q459 VanDerWaalsContact C-N 3.29Å; Y457-Q459 PolarHBondContact O-N 3.35Å; Y457-L460 WeakPolarHBondContact O-CA 3.43Å; Y457-L460 WeakPolarHBondContact O-CB 3.37Å; Y457-L460 PolarHBondContact O-N 2.71Å; Y457-E461 HydrophobicContact CD1-CG 3.92Å; Y457-E461 HydrophobicContact CE1-CG 3.57Å; Y457-E461 VanDerWaalsContact CE1-OE1 3.22Å; Y457-E461 WeakPolarHBondContact CE1-OE1 3.39Å; Y457-E461 PolarHBondContact O-N 3.28Å; Y457-E461 VanDerWaalsContact O-N 3.17Å; Y457-A469 HydrophobicContact CE2-CB 4.35Å; Y457-A470 WeakPolarHBondContact OH-CA 3.39Å; Y457-A470 WeakPolarHBondContact OH-CB 3.26Å; Y457-A470 PolarHBondContact OH-N 3.32Å; Y457-F473 HydrophobicContact CD2-CB 4.37Å; Y457-F473 HydrophobicContact CD2-CD2 4.01Å; Y457-F473 HydrophobicContact CD2-CE2 4.49Å; Y457-F473 HydrophobicContact CD2-CG 4.13Å; Y457-F473 HydrophobicContact CE2-CB 3.78Å; Y457-F473 HydrophobicContact CE2-CD1 4.48Å; Y457-F473 HydrophobicContact CE2-CD2 4.28Å; Y457-F473 AromaticContact CE2-CG 3.95Å; Y457-F473 HydrophobicContact CE2-CG 3.95Å; Y457-F492 HydrophobicContact CD1-CE2 4.43Å; Y457-F492 HydrophobicContact CD2-CE2 4.5Å; Y457-F492 AromaticContact CD2-CZ 3.9Å; Y457-F492 HydrophobicContact CD2-CZ 3.9Å; Y457-F492 HydrophobicContact CG-CE1 4.31Å; Y457-F492 HydrophobicContact CG-CE2 4.2Å; Y457-F492 AromaticContact CG-CZ 3.85Å; Y457-F492 HydrophobicContact CG-CZ 3.85Å
458	A	91.3	Very high	93.4	Very high	48 Å²	48	38.6 Å²	38.6	40%	0.397	20%	0.2	S	C	.	.	H	α-helix	trans	-56.3	-38.2	178.5	0	0	0	0	0	113.4	S456 L460 E461 D462	S456-A458 VanDerWaalsContact C-N 3.31Å; A458-L460 PolarHBondContact O-N 2.92Å; A458-E461 WeakPolarHBondContact O-CB 3.5Å; A458-E461 PolarHBondContact O-N 3.3Å; A458-E461 VanDerWaalsContact O-N 3.09Å; A458-D462 PolarHBondContact O-N 3.24Å
459	Q	90.4	Very high	93.2	Very high	53 Å²	53	38.6 Å²	38.6	25%	0.248	20%	0.2	C	C	.	.	H	α-helix	trans	-60.6	-31	174	-80.7	175.5	-19.4	0	0	113.2	P428 S456 Y457 I463	P428-Q459 HydrophobicContact CB-CB 3.86Å; P428-Q459 HydrophobicContact CG-CB 3.88Å; S456-Q459 WeakPolarHBondContact OG-CG 3.38Å; S456-Q459 PolarHBondContact OG-N 2.79Å; Y457-Q459 VanDerWaalsContact C-N 3.29Å; Y457-Q459 PolarHBondContact O-N 3.35Å; Q459-I463 WeakPolarHBondContact O-CD1 3.21Å
460	L	91.7	Very high	93.1	Very high	3 Å²	3	40 Å²	40	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-73	-41.8	175.3	-165.6	69.7	0	0	0	110.1	L427 Y457 A458 D462 I463 Y464 A469 L472	L427-L460 HydrophobicContact CD2-CD1 4.33Å; Y457-L460 WeakPolarHBondContact O-CA 3.43Å; Y457-L460 WeakPolarHBondContact O-CB 3.37Å; Y457-L460 PolarHBondContact O-N 2.71Å; A458-L460 PolarHBondContact O-N 2.92Å; L460-D462 PolarHBondContact O-N 2.9Å; L460-I463 PolarHBondContact O-N 2.86Å; L460-Y464 HydrophobicContact CD1-CD2 3.46Å; L460-Y464 VanDerWaalsContact CD1-CD2 3.46Å; L460-Y464 HydrophobicContact CD1-CE2 3.55Å; L460-Y464 HydrophobicContact CG-CD2 3.97Å; L460-Y464 WeakPolarHBondContact O-CB 3.44Å; L460-Y464 WeakPolarHBondContact O-CD2 3.28Å; L460-Y464 PolarHBondContact O-N 3.08Å; L460-A469 HydrophobicContact CB-CB 4.12Å; L460-A469 HydrophobicContact CD2-CB 3.89Å; L460-A469 WeakPolarHBondContact CD2-O 3.33Å; L460-A469 HydrophobicContact CG-CB 3.77Å; L460-L472 HydrophobicContact CD1-CD1 4.04Å; L460-L472 HydrophobicContact CD2-CB 4.16Å; L460-L472 HydrophobicContact CD2-CD1 4.49Å; L460-L472 HydrophobicContact CG-CD1 4.48Å
461	E	93	Very high	92.9	Very high	66 Å²	66	43 Å²	43	31%	0.308	23%	0.229	S	C	.	.	H	α-helix	trans	-62.2	-40.1	175.8	-63.9	-173.7	127.6	0	0	112.6	Y457 A458 I463 G465 A469	Y457-E461 HydrophobicContact CD1-CG 3.92Å; Y457-E461 HydrophobicContact CE1-CG 3.57Å; Y457-E461 VanDerWaalsContact CE1-OE1 3.22Å; Y457-E461 WeakPolarHBondContact CE1-OE1 3.39Å; Y457-E461 PolarHBondContact O-N 3.28Å; Y457-E461 VanDerWaalsContact O-N 3.17Å; A458-E461 WeakPolarHBondContact O-CB 3.5Å; A458-E461 PolarHBondContact O-N 3.3Å; A458-E461 VanDerWaalsContact O-N 3.09Å; E461-I463 PolarHBondContact O-N 3.03Å; E461-G465 WeakPolarHBondContact O-CA 3.34Å; E461-G465 PolarHBondContact O-N 3.06Å; E461-A469 HydrophobicContact CB-CB 4.41Å; E461-A469 HydrophobicContact CG-CB 3.76Å
462	D	90.8	Very high	92.7	Very high	131 Å²	131	43.1 Å²	43.1	70%	0.701	23%	0.23	S	C	*	.	H	α-helix	trans	-57.9	-33.3	178.3	-73.6	-24.2	0	0	0	112.7	A458 L460	A458-D462 PolarHBondContact O-N 3.24Å; L460-D462 PolarHBondContact O-N 2.9Å
463	I	91.3	Very high	92.6	Very high	36 Å²	36	43.1 Å²	43.1	19%	0.185	23%	0.23	C	C	.	.	H	α-helix	trans	-94.6	-42.7	-174.7	-62.6	168.1	0	0	0	111.5	P428 K432 Q459 L460 E461	P428-I463 HydrophobicContact CB-CD1 3.56Å; P428-I463 WeakPolarHBondContact O-CD1 3.36Å; K432-I463 HydrophobicContact CB-CG2 3.96Å; K432-I463 WeakPolarHBondContact CD-O 3.43Å; Q459-I463 WeakPolarHBondContact O-CD1 3.21Å; L460-I463 PolarHBondContact O-N 2.86Å; E461-I463 PolarHBondContact O-N 3.03Å
464	Y	91.5	Very high	92.5	Very high	7 Å²	7	48.1 Å²	48.1	3%	0.027	26%	0.257	C	S	.	.	H	α-helix	trans	-100.7	-23	-171	-67.4	-83.7	0	0	0	112.8	K432 V437 L460 A468 L472	K432-Y464 HydrophobicContact CG-CD1 3.98Å; K432-Y464 HydrophobicContact CG-CE1 4.12Å; K432-Y464 PolarHBondContact NZ-O 3.43Å; V437-Y464 HydrophobicContact CG2-CD1 3.53Å; V437-Y464 HydrophobicContact CG2-CE1 3.85Å; L460-Y464 HydrophobicContact CD1-CD2 3.46Å; L460-Y464 VanDerWaalsContact CD1-CD2 3.46Å; L460-Y464 HydrophobicContact CD1-CE2 3.55Å; L460-Y464 HydrophobicContact CG-CD2 3.97Å; L460-Y464 WeakPolarHBondContact O-CB 3.44Å; L460-Y464 WeakPolarHBondContact O-CD2 3.28Å; L460-Y464 PolarHBondContact O-N 3.08Å; Y464-A468 WeakPolarHBondContact O-CB 3.46Å; Y464-L472 HydrophobicContact CD1-CD1 3.88Å; Y464-L472 HydrophobicContact CD2-CD1 3.97Å; Y464-L472 HydrophobicContact CE1-CD1 3.91Å; Y464-L472 HydrophobicContact CE2-CD1 4.02Å; Y464-L472 HydrophobicContact CG-CD1 3.89Å
465	G	91.8	Very high	92.5	Very high	21 Å²	21	49.6 Å²	49.6	22%	0.216	27%	0.266	C	S	.	.			trans	83	157.2	-164.8	0	0	0	0	0	111.6	E461 K467 A468 A469	E461-G465 WeakPolarHBondContact O-CA 3.34Å; E461-G465 PolarHBondContact O-N 3.06Å; G465-K467 PolarHBondContact O-N 3.39Å; G465-A468 PolarHBondContact O-N 3.34Å; G465-A469 VanDerWaalsContact O-CB 3.29Å; G465-A469 WeakPolarHBondContact O-CB 3.47Å; G465-A469 PolarHBondContact O-N 3.02Å
466	E	92.9	Very high	92.6	Very high	143 Å²	143	47.3 Å²	47.3	67%	0.668	26%	0.255	S	S	*	.	H	α-helix	trans	-45.6	-57	-177.2	-174.6	-170.2	167.6	0	0	113	A468 A469 A470	E466-A468 PolarHBondContact O-N 3.44Å; E466-A469 PolarHBondContact O-N 3.11Å; E466-A470 WeakPolarHBondContact O-CB 3.49Å; E466-A470 PolarHBondContact O-N 2.96Å
467	K	93	Very high	92.8	Very high	177 Å²	177	49.7 Å²	49.7	77%	0.77	27%	0.267	S	S	*	.	H	α-helix	trans	-61.8	-42.7	-175.9	-65.6	-175.5	179.9	179.4	0	113.6	G465 T471	G465-K467 PolarHBondContact O-N 3.39Å; K467-T471 PolarHBondContact O-N 3.42Å; K467-T471 PolarHBondContact O-OG1 3.31Å
468	A	92.4	Very high	93.1	Very high	19 Å²	19	48 Å²	48	16%	0.157	26%	0.26	C	S	.	.	H	α-helix	trans	-77	-34.5	-177.8	0	0	0	0	0	111.4	V437 Y464 G465 E466 T471 L472	V437-A468 HydrophobicContact CG1-CB 3.95Å; V437-A468 HydrophobicContact CG2-CB 4.16Å; Y464-A468 WeakPolarHBondContact O-CB 3.46Å; G465-A468 PolarHBondContact O-N 3.34Å; E466-A468 PolarHBondContact O-N 3.44Å; A468-T471 PolarHBondContact O-N 3.12Å; A468-L472 WeakPolarHBondContact O-CG 3.45Å; A468-L472 PolarHBondContact O-N 3.05Å
469	A	93.5	Very high	93.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.4	-45.1	171.8	0	0	0	0	0	111.5	Y457 L460 E461 G465 E466 L472 F473	Y457-A469 HydrophobicContact CE2-CB 4.35Å; L460-A469 HydrophobicContact CB-CB 4.12Å; L460-A469 HydrophobicContact CD2-CB 3.89Å; L460-A469 WeakPolarHBondContact CD2-O 3.33Å; L460-A469 HydrophobicContact CG-CB 3.77Å; E461-A469 HydrophobicContact CB-CB 4.41Å; E461-A469 HydrophobicContact CG-CB 3.76Å; G465-A469 VanDerWaalsContact O-CB 3.29Å; G465-A469 WeakPolarHBondContact O-CB 3.47Å; G465-A469 PolarHBondContact O-N 3.02Å; E466-A469 PolarHBondContact O-N 3.11Å; A469-L472 PolarHBondContact O-N 3.17Å; A469-F473 WeakPolarHBondContact O-CB 3.47Å; A469-F473 PolarHBondContact O-N 3.33Å
470	A	94.2	Very high	93.7	Very high	30 Å²	30	44.9 Å²	44.9	25%	0.248	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-48.3	173.1	0	0	0	0	0	111.6	Y457 E466 L472 F473 D474	Y457-A470 WeakPolarHBondContact OH-CA 3.39Å; Y457-A470 WeakPolarHBondContact OH-CB 3.26Å; Y457-A470 PolarHBondContact OH-N 3.32Å; E466-A470 WeakPolarHBondContact O-CB 3.49Å; E466-A470 PolarHBondContact O-N 2.96Å; A470-L472 VanDerWaalsContact C-N 3.32Å; A470-L472 PolarHBondContact O-N 2.99Å; A470-F473 PolarHBondContact O-N 3.09Å; A470-D474 WeakPolarHBondContact O-CB 3.43Å; A470-D474 VanDerWaalsContact O-CG 3.28Å; A470-D474 PolarHBondContact O-N 3.14Å
471	T	93.5	Very high	94	Very high	61 Å²	61	44.7 Å²	44.7	37%	0.374	24%	0.236	S	C	.	.	H	α-helix	trans	-57.5	-43.6	178	-57.2	0	0	0	0	112.2	V437 K467 A468 F473 V475	V437-T471 HydrophobicContact CG1-CG2 4.45Å; K467-T471 PolarHBondContact O-N 3.42Å; K467-T471 PolarHBondContact O-OG1 3.31Å; A468-T471 PolarHBondContact O-N 3.12Å; T471-F473 VanDerWaalsContact C-N 3.35Å; T471-V475 WeakPolarHBondContact O-CG2 3.42Å
472	L	93.6	Very high	94.2	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-37.7	175.7	-75	176.6	0	0	0	112.2	L436 V437 L440 L460 Y464 A468 A469 A470 V475 M476	L436-L472 HydrophobicContact CD2-CD1 4.43Å; L436-L472 HydrophobicContact CD2-CD2 4.17Å; L436-L472 HydrophobicContact CG-CD2 3.87Å; V437-L472 HydrophobicContact CB-CD2 4.48Å; V437-L472 HydrophobicContact CG2-CD1 3.94Å; V437-L472 HydrophobicContact CG2-CD2 4.17Å; V437-L472 HydrophobicContact CG2-CG 4.02Å; L440-L472 HydrophobicContact CD2-CD2 3.68Å; L460-L472 HydrophobicContact CD1-CD1 4.04Å; L460-L472 HydrophobicContact CD2-CB 4.16Å; L460-L472 HydrophobicContact CD2-CD1 4.49Å; L460-L472 HydrophobicContact CG-CD1 4.48Å; Y464-L472 HydrophobicContact CD1-CD1 3.88Å; Y464-L472 HydrophobicContact CD2-CD1 3.97Å; Y464-L472 HydrophobicContact CE1-CD1 3.91Å; Y464-L472 HydrophobicContact CE2-CD1 4.02Å; Y464-L472 HydrophobicContact CG-CD1 3.89Å; A468-L472 WeakPolarHBondContact O-CG 3.45Å; A468-L472 PolarHBondContact O-N 3.05Å; A469-L472 PolarHBondContact O-N 3.17Å; A470-L472 VanDerWaalsContact C-N 3.32Å; A470-L472 PolarHBondContact O-N 2.99Å; L472-V475 WeakPolarHBondContact O-CG2 3.41Å; L472-M476 WeakPolarHBondContact O-CG 3.43Å
473	F	94.1	Very high	94.5	Very high	5 Å²	5	39.3 Å²	39.3	2%	0.022	20%	0.203	C	C	.	.	H	α-helix	trans	-73.5	-36.4	-178.3	-166.9	-97.7	0	0	0	113.4	I454 Y457 A469 A470 T471 V475 M476 R479 F492 E496	I454-F473 HydrophobicContact CD1-CD2 4.46Å; I454-F473 HydrophobicContact CD1-CE2 4.41Å; Y457-F473 HydrophobicContact CD2-CB 4.37Å; Y457-F473 HydrophobicContact CD2-CD2 4.01Å; Y457-F473 HydrophobicContact CD2-CE2 4.49Å; Y457-F473 HydrophobicContact CD2-CG 4.13Å; Y457-F473 HydrophobicContact CE2-CB 3.78Å; Y457-F473 HydrophobicContact CE2-CD1 4.48Å; Y457-F473 HydrophobicContact CE2-CD2 4.28Å; Y457-F473 AromaticContact CE2-CG 3.95Å; Y457-F473 HydrophobicContact CE2-CG 3.95Å; A469-F473 WeakPolarHBondContact O-CB 3.47Å; A469-F473 PolarHBondContact O-N 3.33Å; A470-F473 PolarHBondContact O-N 3.09Å; T471-F473 VanDerWaalsContact C-N 3.35Å; F473-V475 VanDerWaalsContact C-N 3.32Å; F473-V475 PolarHBondContact O-N 3.02Å; F473-M476 HydrophobicContact CB-CE 4.17Å; F473-M476 HydrophobicContact CD2-CE 3.58Å; F473-M476 HydrophobicContact CE2-CE 4.38Å; F473-M476 HydrophobicContact CG-CE 4.18Å; F473-M476 PolarHBondContact O-N 3.17Å; F473-R479 VanDerWaalsContact CE1-CZ 3.46Å; F473-R479 PolarHBondContact O-NH2 3.35Å; F473-F492 HydrophobicContact CD1-CZ 4.5Å; F473-F492 HydrophobicContact CE1-CE1 4.49Å; F473-F492 AromaticContact CE1-CZ 3.84Å; F473-F492 HydrophobicContact CE1-CZ 3.84Å; F473-F492 HydrophobicContact CE2-CE1 4.3Å; F473-F492 HydrophobicContact CE2-CZ 4.22Å; F473-F492 AromaticContact CZ-CE1 3.9Å; F473-F492 HydrophobicContact CZ-CE1 3.9Å; F473-F492 AromaticContact CZ-CZ 3.68Å; F473-F492 HydrophobicContact CZ-CZ 3.68Å; F473-E496 HydrophobicContact CE1-CG 4.11Å; F473-E496 HydrophobicContact CZ-CG 4.2Å
474	D	93.2	Very high	94.8	Very high	105 Å²	105	37.6 Å²	37.6	56%	0.561	19%	0.194	S	C	*	.	H	α-helix	trans	-67.5	-30.1	-179.3	-74	-17.3	0	0	0	113.5	A470 M476	A470-D474 WeakPolarHBondContact O-CB 3.43Å; A470-D474 VanDerWaalsContact O-CG 3.28Å; A470-D474 PolarHBondContact O-N 3.14Å; D474-M476 VanDerWaalsContact C-N 3.26Å; D474-M476 PolarHBondContact O-N 3.47Å
475	V	93.9	Very high	94.9	Very high	32 Å²	32	41.2 Å²	41.2	19%	0.194	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-0.3	177.5	-62.5	0	0	0	0	113.7	Q186 N187 L440 P441 T471 L472 F473	Q186-V475 VanDerWaalsContact O-O 3.1Å; N187-V475 PolarHBondContact ND2-O 2.64Å; L440-V475 HydrophobicContact CB-CG2 4.4Å; L440-V475 HydrophobicContact CD2-CG2 3.34Å; L440-V475 HydrophobicContact CG-CG2 3.57Å; P441-V475 HydrophobicContact CB-CG1 4.27Å; P441-V475 HydrophobicContact CG-CG1 4.16Å; T471-V475 WeakPolarHBondContact O-CG2 3.42Å; L472-V475 WeakPolarHBondContact O-CG2 3.41Å; F473-V475 VanDerWaalsContact C-N 3.32Å; F473-V475 PolarHBondContact O-N 3.02Å
476	M	95.6	Very high	95	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.227	C	C	.	.			trans	-97.5	90.9	174.9	-64.5	-172	-76	0	0	111	N187 C189 F452 L472 F473 D474 R479	N187-M476 HydrophobicContact CB-CG 4.31Å; C189-M476 HydrophobicContact CB-CB 3.78Å; C189-M476 HydrophobicContact CB-CE 3.85Å; C189-M476 HydrophobicContact CB-CG 4.26Å; C189-M476 HydrophobicContact CB-SD 3.49Å; C189-M476 WeakPolarHBondContact CB-SD 3.33Å; F452-M476 HydrophobicContact CB-SD 4.08Å; F452-M476 HydrophobicContact CD2-CE 4.43Å; F452-M476 HydrophobicContact CD2-CG 4.47Å; F452-M476 HydrophobicContact CD2-SD 3.48Å; F452-M476 WeakPolarHBondContact CD2-SD 3.43Å; F452-M476 HydrophobicContact CE2-SD 4.32Å; F452-M476 HydrophobicContact CG-SD 4.19Å; L472-M476 WeakPolarHBondContact O-CG 3.43Å; F473-M476 HydrophobicContact CB-CE 4.17Å; F473-M476 HydrophobicContact CD2-CE 3.58Å; F473-M476 HydrophobicContact CE2-CE 4.38Å; F473-M476 HydrophobicContact CG-CE 4.18Å; F473-M476 PolarHBondContact O-N 3.17Å; D474-M476 VanDerWaalsContact C-N 3.26Å; D474-M476 PolarHBondContact O-N 3.47Å; M476-R479 VanDerWaalsContact O-CG 3.3Å; M476-R479 WeakPolarHBondContact O-CG 3.41Å; M476-R479 PolarHBondContact O-NE 2.97Å
477	N	95.6	Very high	95.2	Very high	62 Å²	62	39.8 Å²	39.8	33%	0.332	21%	0.212	S	C	.	.			trans	-80.5	-36.8	-171.4	-75.9	-7.9	0	0	0	114.1	Q186 P550	Q186-N477 HydrophobicContact CB-CB 3.92Å; Q186-N477 WeakPolarHBondContact O-CB 3.49Å; Q186-N477 PolarHBondContact O-N 3.33Å; Q186-N477 PolarHBondContact OE1-ND2 3.11Å; N477-P550 HydrophobicContact CB-CB 4.14Å; N477-P550 HydrophobicContact CB-CG 4.06Å
478	T	97.3	Very high	95.3	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	112.5	176.3	-59.4	0	0	0	0	108.6	N187 F188 C189 L549	N187-T478 PolarHBondContact O-N 2.88Å; F188-T478 CarbonylContact C-O 3.6Å; F188-T478 WeakPolarHBondContact CA-O 3.42Å; F188-T478 HydrophobicContact CD1-CG2 3.52Å; F188-T478 HydrophobicContact CE1-CG2 3.71Å; C189-T478 PolarHBondContact N-O 3.13Å; T478-L549 HydrophobicContact CG2-CD2 3.99Å
479	R	97.3	Very high	95.4	Very high	34 Å²	34	40.6 Å²	40.6	13%	0.128	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.1	-175	-49.7	-179.7	177.6	163	-7.1	110.5	C189 F473 M476 F481 E496 V547 T548	C189-R479 HydrophobicContact CB-CB 4.36Å; C189-R479 HydrophobicContact CB-CG 4.06Å; C189-R479 CarbonylContact O-C 3.49Å; C189-R479 WeakPolarHBondContact O-CA 3.3Å; F473-R479 VanDerWaalsContact CE1-CZ 3.46Å; F473-R479 PolarHBondContact O-NH2 3.35Å; M476-R479 VanDerWaalsContact O-CG 3.3Å; M476-R479 WeakPolarHBondContact O-CG 3.41Å; M476-R479 PolarHBondContact O-NE 2.97Å; R479-F481 HydrophobicContact CB-CD2 4.42Å; R479-F481 HydrophobicContact CB-CE2 3.61Å; R479-F481 HydrophobicContact CB-CZ 3.86Å; R479-E496 IonicContact CZ-OE2 3.66Å; R479-E496 IonicContact NH1-OE2 3.83Å; R479-E496 PolarHBondContact NH1-OE2 3.01Å; R479-V547 CarbonylContact O-C 3.59Å; R479-V547 WeakPolarHBondContact O-CA 3.42Å; R479-T548 WeakPolarHBondContact CB-OG1 3.12Å; R479-T548 PolarHBondContact N-O 3.25Å; R479-T548 VanDerWaalsContact N-O 3.1Å; R479-T548 PolarHBondContact O-N 3.47Å; R479-T548 PolarHBondContact O-OG1 3.12Å
480	A	97.6	Very high	95.5	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.017	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.8	173.4	0	0	0	0	0	109.6	C189 L190 H191 F482 Y546 V547	C189-A480 PolarHBondContact O-N 3.47Å; L190-A480 HydrophobicContact CD2-CB 3.72Å; H191-A480 PolarHBondContact N-O 3.16Å; A480-F482 HydrophobicContact CB-CE2 4.01Å; A480-Y546 CarbonylContact C-O 3.44Å; A480-Y546 WeakPolarHBondContact CA-O 3.33Å; A480-V547 HydrophobicContact CB-CG2 3.94Å
481	F	97.8	Very high	95.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112.7	-179.1	-61.5	-82.5	0	0	0	110.1	H191 R479 A493 E496 I497 C545 Y546 T548	H191-F481 HydrophobicContact CB-CD1 3.89Å; H191-F481 HydrophobicContact CB-CE1 4.15Å; H191-F481 AromaticContact ND1-CD1 3.99Å; R479-F481 HydrophobicContact CB-CD2 4.42Å; R479-F481 HydrophobicContact CB-CE2 3.61Å; R479-F481 HydrophobicContact CB-CZ 3.86Å; F481-A493 HydrophobicContact CB-CB 4.42Å; F481-A493 HydrophobicContact CD1-CB 3.61Å; F481-A493 HydrophobicContact CE1-CB 4.23Å; F481-A493 HydrophobicContact CG-CB 4.24Å; F481-E496 HydrophobicContact CE1-CB 3.9Å; F481-E496 HydrophobicContact CE1-CG 4.45Å; F481-E496 HydrophobicContact CE2-CB 4.11Å; F481-E496 HydrophobicContact CZ-CB 3.41Å; F481-E496 VanDerWaalsContact CZ-CB 3.41Å; F481-E496 HydrophobicContact CZ-CG 4.24Å; F481-I497 HydrophobicContact CB-CD1 4.12Å; F481-I497 HydrophobicContact CB-CG1 4.44Å; F481-I497 HydrophobicContact CD2-CD1 4.17Å; F481-I497 HydrophobicContact CD2-CG1 3.55Å; F481-I497 HydrophobicContact CE2-CG1 4.05Å; F481-I497 HydrophobicContact CG-CD1 4.29Å; F481-I497 HydrophobicContact CG-CG1 4.12Å; F481-C545 CarbonylContact O-C 3.55Å; F481-C545 WeakPolarHBondContact O-CA 3.4Å; F481-C545 VanDerWaalsContact O-CB 3.27Å; F481-C545 WeakPolarHBondContact O-CB 3.49Å; F481-Y546 PolarHBondContact N-O 2.88Å; F481-Y546 PolarHBondContact O-N 3.08Å; F481-T548 HydrophobicContact CE2-CG2 4.47Å
482	F	97.9	Very high	95.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	176.9	174.7	-67.9	-94.2	0	0	0	110.8	L190 H191 A196 K198 V201 A480 S484 C545 L560	L190-F482 HydrophobicContact CB-CE2 4.47Å; H191-F482 PolarHBondContact O-N 3.29Å; A196-F482 HydrophobicContact CB-CB 3.75Å; A196-F482 HydrophobicContact CB-CD1 4.27Å; A196-F482 HydrophobicContact CB-CG 4.31Å; A196-F482 WeakPolarHBondContact O-CD1 3.48Å; K198-F482 HydrophobicContact CG-CD2 3.9Å; K198-F482 HydrophobicContact CG-CE2 4.13Å; K198-F482 HydrophobicContact CG-CG 4.41Å; V201-F482 HydrophobicContact CG2-CE2 4.45Å; V201-F482 HydrophobicContact CG2-CZ 3.74Å; A480-F482 HydrophobicContact CB-CE2 4.01Å; F482-S484 PolarHBondContact O-N 3.5Å; F482-S484 PolarHBondContact O-OG 3.19Å; F482-C545 HydrophobicContact CD1-CB 3.68Å; F482-C545 HydrophobicContact CD2-CB 4.05Å; F482-C545 HydrophobicContact CE1-CB 3.69Å; F482-C545 HydrophobicContact CE2-CB 4.05Å; F482-C545 HydrophobicContact CG-CB 3.87Å; F482-C545 HydrophobicContact CZ-CB 3.87Å; F482-L560 HydrophobicContact CE1-CD1 4.25Å; F482-L560 HydrophobicContact CZ-CD1 4.29Å
483	R	97.5	Very high	95.9	Very high	83 Å²	83	43.8 Å²	43.8	31%	0.313	22%	0.218	S	C	.	.			trans	-47.8	130.8	175.2	-179.2	172.5	53.5	166.2	0.1	112.1	T193 A196 I537 Q538 L540 D542	T193-R483 WeakPolarHBondContact CG2-O 3.32Å; T193-R483 PolarHBondContact N-O 3.49Å; A196-R483 HydrophobicContact CB-CB 4.42Å; R483-I537 WeakPolarHBondContact CA-O 3.31Å; R483-Q538 WeakPolarHBondContact CD-O 3.47Å; R483-Q538 WeakPolarHBondContact CG-O 3.26Å; R483-L540 HydrophobicContact CB-CB 3.92Å; R483-L540 VanDerWaalsContact CD-O 3.24Å; R483-L540 WeakPolarHBondContact CD-O 3.35Å; R483-D542 IonicContact CZ-OD1 3.76Å; R483-D542 IonicContact NE-OD1 3.4Å; R483-D542 IonicContact NH2-OD1 3.59Å; R483-D542 PolarHBondContact NH2-OD1 3.17Å; R483-D542 IonicContact NH2-OD2 2.89Å; R483-D542 PolarHBondContact NH2-OD2 3.41Å
484	S	96.4	Very high	96	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.007	22%	0.219	C	C	.	.			trans	-133	114.9	174.4	-62	0	0	0	0	108.9	F482 Q538	F482-S484 PolarHBondContact O-N 3.5Å; F482-S484 PolarHBondContact O-OG 3.19Å; S484-Q538 WeakPolarHBondContact O-CA 2.74Å; S484-Q538 VanDerWaalsContact O-CG 3.23Å; S484-Q538 WeakPolarHBondContact O-CG 3.47Å
485	P	94	Very high	96.2	Very high	83 Å²	83	40.7 Å²	40.7	54%	0.539	21%	0.212	S	C	.	.			trans	-77.3	-29	-170.8	28.1	-34.4	0	0	0	113.8	Q538	P485-Q538 PolarHBondContact O-NE2 3.34Å
486	S	94.6	Very high	96.3	Very high	56 Å²	56	42 Å²	42	39%	0.392	22%	0.216	S	C	.	.	S	Bend	trans	-78.3	138.3	-179.6	178	0	0	0	0	111.5	K488 I489 A490	S486-K488 PolarHBondContact O-N 3.46Å; S486-I489 PolarHBondContact O-N 3.45Å; S486-A490 WeakPolarHBondContact O-CB 3.28Å; S486-A490 PolarHBondContact O-N 2.98Å
487	H	95.3	Very high	96.3	Very high	77 Å²	77	41.9 Å²	41.9	36%	0.356	22%	0.216	S	C	.	.	H	α-helix	trans	-52.8	-55.1	178.3	179.5	-90.5	0	0	0	111.9	I489 A490 E491 Y534	H487-I489 VanDerWaalsContact C-N 3.28Å; H487-I489 PolarHBondContact O-N 3.34Å; H487-A490 PolarHBondContact O-N 3.37Å; H487-A490 VanDerWaalsContact O-N 3.11Å; H487-E491 IonicContact CE1-OE1 3.11Å; H487-E491 IonicContact CE1-OE2 3.28Å; H487-E491 PolarHBondContact CE1-OE2 3.44Å; H487-E491 VanDerWaalsContact CE1-OE2 3.25Å; H487-E491 IonicContact ND1-OE2 2.59Å; H487-E491 VanDerWaalsContact O-CB 3.31Å; H487-E491 WeakPolarHBondContact O-CB 3.46Å; H487-E491 PolarHBondContact O-N 3.04Å; H487-Y534 AromaticContact CD2-CD2 3.66Å; H487-Y534 AromaticContact CD2-CE2 3.66Å; H487-Y534 AromaticContact CD2-CG 3.91Å; H487-Y534 AromaticContact CD2-CZ 3.87Å; H487-Y534 AromaticContact NE2-CD1 3.75Å; H487-Y534 AromaticContact NE2-CE1 3.71Å; H487-Y534 AromaticContact NE2-CG 3.99Å; H487-Y534 AromaticContact NE2-CZ 3.92Å
488	K	95.4	Very high	96.3	Very high	169 Å²	169	39.5 Å²	39.5	74%	0.735	21%	0.206	S	C	*	.	H	α-helix	trans	-56.6	-40.5	-177.3	-66.9	-171.4	177.1	-173.1	0	112.9	S486 F492	S486-K488 PolarHBondContact O-N 3.46Å; K488-F492 WeakPolarHBondContact O-CB 3.36Å; K488-F492 PolarHBondContact O-N 2.96Å
489	I	95	Very high	96.1	Very high	45 Å²	45	43.7 Å²	43.7	23%	0.231	23%	0.226	C	C	.	.	H	α-helix	trans	-73.2	-39.7	-179.3	-59.6	175.5	0	0	0	110.7	H191 S486 H487 A493	H191-I489 WeakPolarHBondContact CE1-CG2 3.35Å; S486-I489 PolarHBondContact O-N 3.45Å; H487-I489 VanDerWaalsContact C-N 3.28Å; H487-I489 PolarHBondContact O-N 3.34Å; I489-A493 WeakPolarHBondContact O-CB 3.47Å; I489-A493 PolarHBondContact O-N 3.07Å
490	A	96.5	Very high	95.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.4	-40.8	177.8	0	0	0	0	0	111.8	S486 H487 A493 A494 I537 Q538	S486-A490 WeakPolarHBondContact O-CB 3.28Å; S486-A490 PolarHBondContact O-N 2.98Å; H487-A490 PolarHBondContact O-N 3.37Å; H487-A490 VanDerWaalsContact O-N 3.11Å; A490-A493 PolarHBondContact O-N 3.06Å; A490-A494 WeakPolarHBondContact O-CB 3.34Å; A490-A494 PolarHBondContact O-N 3.46Å; A490-I537 HydrophobicContact CB-CB 4.2Å; A490-I537 HydrophobicContact CB-CG2 4.06Å; A490-I537 WeakPolarHBondContact O-CD1 3.27Å; A490-Q538 HydrophobicContact CB-CG 3.89Å
491	E	96.7	Very high	95.6	Very high	105 Å²	105	47.2 Å²	47.2	49%	0.491	24%	0.242	S	C	.	.	H	α-helix	trans	-61.9	-47	174.6	-178.1	171.2	-135.2	0	0	111.5	H487 A493 A494 G495	H487-E491 IonicContact CE1-OE1 3.11Å; H487-E491 IonicContact CE1-OE2 3.28Å; H487-E491 PolarHBondContact CE1-OE2 3.44Å; H487-E491 VanDerWaalsContact CE1-OE2 3.25Å; H487-E491 IonicContact ND1-OE2 2.59Å; H487-E491 VanDerWaalsContact O-CB 3.31Å; H487-E491 WeakPolarHBondContact O-CB 3.46Å; H487-E491 PolarHBondContact O-N 3.04Å; E491-A493 VanDerWaalsContact C-N 3.35Å; E491-A493 PolarHBondContact O-N 3.18Å; E491-A494 PolarHBondContact O-N 3.39Å; E491-A494 VanDerWaalsContact O-N 3.17Å; E491-G495 PolarHBondContact O-N 3.49Å
492	F	95.8	Very high	95.1	Very high	55 Å²	55	47.9 Å²	47.9	24%	0.241	25%	0.245	C	C	.	.	H	α-helix	trans	-53.6	-51	171.4	172	-98.7	0	0	0	111.6	Y457 F473 K488 A494 G495 E496	Y457-F492 HydrophobicContact CD1-CE2 4.43Å; Y457-F492 HydrophobicContact CD2-CE2 4.5Å; Y457-F492 AromaticContact CD2-CZ 3.9Å; Y457-F492 HydrophobicContact CD2-CZ 3.9Å; Y457-F492 HydrophobicContact CG-CE1 4.31Å; Y457-F492 HydrophobicContact CG-CE2 4.2Å; Y457-F492 AromaticContact CG-CZ 3.85Å; Y457-F492 HydrophobicContact CG-CZ 3.85Å; F473-F492 HydrophobicContact CD1-CZ 4.5Å; F473-F492 HydrophobicContact CE1-CE1 4.49Å; F473-F492 AromaticContact CE1-CZ 3.84Å; F473-F492 HydrophobicContact CE1-CZ 3.84Å; F473-F492 HydrophobicContact CE2-CE1 4.3Å; F473-F492 HydrophobicContact CE2-CZ 4.22Å; F473-F492 AromaticContact CZ-CE1 3.9Å; F473-F492 HydrophobicContact CZ-CE1 3.9Å; F473-F492 AromaticContact CZ-CZ 3.68Å; F473-F492 HydrophobicContact CZ-CZ 3.68Å; K488-F492 WeakPolarHBondContact O-CB 3.36Å; K488-F492 PolarHBondContact O-N 2.96Å; F492-A494 VanDerWaalsContact C-N 3.32Å; F492-A494 PolarHBondContact O-N 2.99Å; F492-G495 PolarHBondContact O-N 3.28Å; F492-E496 HydrophobicContact CD1-CG 4.35Å; F492-E496 HydrophobicContact CD2-CG 4.4Å; F492-E496 HydrophobicContact CE1-CG 3.94Å; F492-E496 HydrophobicContact CE2-CG 3.99Å; F492-E496 HydrophobicContact CZ-CG 3.75Å; F492-E496 WeakPolarHBondContact O-CG 3.28Å; F492-E496 PolarHBondContact O-N 2.93Å
493	A	96.5	Very high	94.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-36	179.3	0	0	0	0	0	112.8	F481 I489 A490 E491 E496 I497 I537	F481-A493 HydrophobicContact CB-CB 4.42Å; F481-A493 HydrophobicContact CD1-CB 3.61Å; F481-A493 HydrophobicContact CE1-CB 4.23Å; F481-A493 HydrophobicContact CG-CB 4.24Å; I489-A493 WeakPolarHBondContact O-CB 3.47Å; I489-A493 PolarHBondContact O-N 3.07Å; A490-A493 PolarHBondContact O-N 3.06Å; E491-A493 VanDerWaalsContact C-N 3.35Å; E491-A493 PolarHBondContact O-N 3.18Å; A493-E496 PolarHBondContact O-N 2.93Å; A493-I497 WeakPolarHBondContact O-CD1 3.43Å; A493-I497 WeakPolarHBondContact O-CG1 3.41Å; A493-I497 PolarHBondContact O-N 3.17Å; A493-I537 HydrophobicContact CB-CD1 3.74Å; A493-I537 HydrophobicContact CB-CG2 4.4Å
494	A	97	Very high	94	Very high	4 Å²	4	50 Å²	50	3%	0.033	26%	0.258	C	S	.	.	H	α-helix	trans	-65	-43.4	175.5	0	0	0	0	0	111.6	A490 E491 F492 I497 G498 V532 I537	A490-A494 WeakPolarHBondContact O-CB 3.34Å; A490-A494 PolarHBondContact O-N 3.46Å; E491-A494 PolarHBondContact O-N 3.39Å; E491-A494 VanDerWaalsContact O-N 3.17Å; F492-A494 VanDerWaalsContact C-N 3.32Å; F492-A494 PolarHBondContact O-N 2.99Å; A494-I497 PolarHBondContact O-N 2.8Å; A494-G498 PolarHBondContact O-N 3.16Å; A494-V532 HydrophobicContact CB-CG2 4.24Å; A494-I537 HydrophobicContact CB-CD1 3.74Å; A494-I537 VanDerWaalsContact N-CD1 3.25Å
495	G	95.9	Very high	93.4	Very high	41 Å²	41	51.1 Å²	51.1	42%	0.423	27%	0.268	S	S	.	.	H	α-helix	trans	-60.2	-44.6	173.9	0	0	0	0	0	112.4	E491 F492 I497 G498	E491-G495 PolarHBondContact O-N 3.49Å; F492-G495 PolarHBondContact O-N 3.28Å; G495-I497 PolarHBondContact O-N 2.96Å; G495-G498 WeakPolarHBondContact O-CA 3.45Å; G495-G498 PolarHBondContact O-N 3.12Å
496	E	95.7	Very high	92.8	Very high	59 Å²	59	48.7 Å²	48.7	28%	0.276	25%	0.253	S	S	.	.	H	α-helix	trans	-67.6	-32	178.8	-71.1	-58.2	140.4	0	0	114	R150 F473 R479 F481 F492 A493 G498	R150-E496 PolarHBondContact NH1-O 3.1Å; F473-E496 HydrophobicContact CE1-CG 4.11Å; F473-E496 HydrophobicContact CZ-CG 4.2Å; R479-E496 IonicContact CZ-OE2 3.66Å; R479-E496 IonicContact NH1-OE2 3.83Å; R479-E496 PolarHBondContact NH1-OE2 3.01Å; F481-E496 HydrophobicContact CE1-CB 3.9Å; F481-E496 HydrophobicContact CE1-CG 4.45Å; F481-E496 HydrophobicContact CE2-CB 4.11Å; F481-E496 HydrophobicContact CZ-CB 3.41Å; F481-E496 VanDerWaalsContact CZ-CB 3.41Å; F481-E496 HydrophobicContact CZ-CG 4.24Å; F492-E496 HydrophobicContact CD1-CG 4.35Å; F492-E496 HydrophobicContact CD2-CG 4.4Å; F492-E496 HydrophobicContact CE1-CG 3.94Å; F492-E496 HydrophobicContact CE2-CG 3.99Å; F492-E496 HydrophobicContact CZ-CG 3.75Å; F492-E496 WeakPolarHBondContact O-CG 3.28Å; F492-E496 PolarHBondContact O-N 2.93Å; A493-E496 PolarHBondContact O-N 2.93Å; E496-G498 PolarHBondContact O-N 3.34Å
497	I	96.5	Very high	92.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-35.2	171.7	-70.7	162.4	0	0	0	110.1	R150 F481 A493 A494 G495 L531 V532 I537 Y546 T548 A555	R150-I497 VanDerWaalsContact CD-O 3.3Å; R150-I497 WeakPolarHBondContact CD-O 3.38Å; R150-I497 PolarHBondContact NH1-O 3.24Å; F481-I497 HydrophobicContact CB-CD1 4.12Å; F481-I497 HydrophobicContact CB-CG1 4.44Å; F481-I497 HydrophobicContact CD2-CD1 4.17Å; F481-I497 HydrophobicContact CD2-CG1 3.55Å; F481-I497 HydrophobicContact CE2-CG1 4.05Å; F481-I497 HydrophobicContact CG-CD1 4.29Å; F481-I497 HydrophobicContact CG-CG1 4.12Å; A493-I497 WeakPolarHBondContact O-CD1 3.43Å; A493-I497 WeakPolarHBondContact O-CG1 3.41Å; A493-I497 PolarHBondContact O-N 3.17Å; A494-I497 PolarHBondContact O-N 2.8Å; G495-I497 PolarHBondContact O-N 2.96Å; I497-L531 HydrophobicContact CG2-CB 4.11Å; I497-L531 HydrophobicContact CG2-CD1 4.11Å; I497-V532 HydrophobicContact CB-CG2 4.34Å; I497-V532 HydrophobicContact CD1-CG2 3.54Å; I497-V532 HydrophobicContact CG2-CG2 4.25Å; I497-I537 HydrophobicContact CD1-CD1 3.91Å; I497-I537 HydrophobicContact CD1-CG1 4.48Å; I497-Y546 HydrophobicContact CD1-CD2 3.87Å; I497-Y546 HydrophobicContact CD1-CG 3.92Å; I497-T548 HydrophobicContact CG1-CG2 4.47Å; I497-A555 HydrophobicContact CG2-CB 4.05Å
498	G	94.6	Very high	91.5	Very high	13 Å²	13	52.4 Å²	52.4	13%	0.134	26%	0.264	C	S	.	.			trans	107.4	178.7	170.3	0	0	0	0	0	114.1	A494 G495 E496 L531	A494-G498 PolarHBondContact O-N 3.16Å; G495-G498 WeakPolarHBondContact O-CA 3.45Å; G495-G498 PolarHBondContact O-N 3.12Å; E496-G498 PolarHBondContact O-N 3.34Å; G498-L531 WeakPolarHBondContact O-CB 3.21Å; G498-L531 WeakPolarHBondContact O-CG 3.22Å; G498-L531 PolarHBondContact O-N 3.44Å
499	E	94.7	Very high	90.8	Very high	90 Å²	90	47.9 Å²	47.9	42%	0.421	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	156.3	-173	-59.6	-179.1	170.7	0	0	111.8	G149 R150 Q529 T530	G149-E499 CarbonylContact C-O 3.56Å; G149-E499 VanDerWaalsContact CA-O 3.3Å; G149-E499 WeakPolarHBondContact CA-O 3.36Å; R150-E499 PolarHBondContact N-O 3.1Å; E499-Q529 CarbonylContact C-O 3.56Å; E499-Q529 VanDerWaalsContact CA-O 3.31Å; E499-Q529 WeakPolarHBondContact CA-O 3.33Å; E499-T530 HydrophobicContact CG-CG2 4.22Å
500	K	92.3	Very high	90.1	Very high	63 Å²	63	49 Å²	49	27%	0.274	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	140.7	165.2	54.9	178.6	-175	-177.8	0	109.4	Q529 L531	K500-Q529 HydrophobicContact CG-CB 4.49Å; K500-Q529 WeakPolarHBondContact CG-O 3.4Å; K500-Q529 PolarHBondContact N-O 2.92Å; K500-Q529 PolarHBondContact O-N 3.44Å; K500-L531 HydrophobicContact CB-CD2 4.1Å; K500-L531 HydrophobicContact CD-CD2 4.32Å; K500-L531 HydrophobicContact CG-CD2 4.23Å
501	E	91	Very high	88.9	Confident	48 Å²	48	53.2 Å²	53.2	22%	0.224	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.6	167.5	-55	-168.1	144.1	0	0	107.7	V146 T147 G148 R528	V146-E501 CarbonylContact C-O 3.39Å; T147-E501 PolarHBondContact N-O 3.44Å; T147-E501 PolarHBondContact OG1-O 3.27Å; G148-E501 PolarHBondContact N-O 3.02Å; G148-E501 PolarHBondContact O-N 3.41Å; E501-R528 HydrophobicContact CG-CG 4.19Å; E501-R528 IonicContact OE1-CZ 2.68Å; E501-R528 IonicContact OE1-NE 3.5Å; E501-R528 PolarHBondContact OE1-NE 2.91Å; E501-R528 IonicContact OE1-NH2 3.48Å; E501-R528 PolarHBondContact OE1-NH2 3.2Å
502	H	88.1	Confident	87.6	Confident	13 Å²	13	49.3 Å²	49.3	6%	0.06	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	142.2	174.9	64.6	-70.4	0	0	0	111.5	E145 V146 K504 E527	E145-H502 CarbonylContact O-C 3.59Å; E145-H502 WeakPolarHBondContact O-CA 3.45Å; E145-H502 WeakPolarHBondContact O-CB 3.38Å; V146-H502 HydrophobicContact CG2-CB 4.46Å; H502-K504 PolarHBondContact O-N 3.42Å; H502-E527 PolarHBondContact N-O 2.94Å; H502-E527 VanDerWaalsContact N-O 3.08Å; H502-E527 PolarHBondContact O-N 3.03Å
503	L	86.1	Confident	86.4	Confident	35 Å²	35	52.4 Å²	52.4	18%	0.183	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	105.3	165.5	-71.2	175	0	0	0	107.8	N144 E145 T147 K524 D525 M526	N144-L503 VanDerWaalsContact CA-O 3.26Å; N144-L503 WeakPolarHBondContact CA-O 3.35Å; E145-L503 HydrophobicContact CB-CB 4.22Å; E145-L503 PolarHBondContact N-O 2.92Å; E145-L503 PolarHBondContact O-N 3.03Å; T147-L503 HydrophobicContact CG2-CD1 3.74Å; T147-L503 HydrophobicContact CG2-CG 3.65Å; L503-K524 HydrophobicContact CB-CB 4.04Å; L503-K524 HydrophobicContact CB-CD 4.02Å; L503-K524 HydrophobicContact CB-CG 4.38Å; L503-K524 HydrophobicContact CD1-CD 4.14Å; L503-K524 HydrophobicContact CD2-CB 4.26Å; L503-K524 HydrophobicContact CG-CB 4.49Å; L503-D525 CarbonylContact C-O 3.58Å; L503-D525 WeakPolarHBondContact CA-O 3.36Å; L503-M526 HydrophobicContact CD2-CB 4.03Å; L503-M526 HydrophobicContact CD2-CE 4.46Å
504	K	86.1	Confident	85.3	Confident	92 Å²	92	56.6 Å²	56.6	40%	0.4	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.7	176.2	-173.3	172.9	-178.6	-179	0	109.2	N144 H502 S506 K524 D525 E527	N144-K504 WeakPolarHBondContact OD1-CA 3.49Å; H502-K504 PolarHBondContact O-N 3.42Å; K504-S506 PolarHBondContact O-N 3.43Å; K504-K524 WeakPolarHBondContact O-CA 3.3Å; K504-D525 PolarHBondContact N-O 2.86Å; K504-D525 PolarHBondContact O-N 3.35Å; K504-E527 WeakPolarHBondContact CD-OE2 3.27Å; K504-E527 IonicContact NZ-OE1 3.17Å; K504-E527 IonicContact NZ-OE2 3.17Å; K504-E527 PolarHBondContact NZ-OE2 3.4Å
505	A	83.1	Confident	83.9	Confident	26 Å²	26	60 Å²	60	22%	0.215	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	117.4	173.5	0	0	0	0	0	108.8	Q141 S142 N144	Q141-A505 WeakPolarHBondContact O-CB 3.28Å; S142-A505 WeakPolarHBondContact O-CB 3.37Å; N144-A505 PolarHBondContact OD1-N 3.42Å
506	S	82	Confident	82.7	Confident	31 Å²	31	64.2 Å²	64.2	22%	0.217	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	114	-179.5	-171.7	0	0	0	0	107.8	K504 T522 G523 D525	K504-S506 PolarHBondContact O-N 3.43Å; S506-T522 WeakPolarHBondContact O-CA 3.3Å; S506-G523 PolarHBondContact N-O 2.85Å; S506-G523 PolarHBondContact O-N 3.46Å; S506-D525 WeakPolarHBondContact CB-OD2 3.47Å; S506-D525 PolarHBondContact OG-OD2 3.48Å
507	E	82.5	Confident	81.4	Confident	92 Å²	92	70.7 Å²	70.7	43%	0.43	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	110.2	173.4	-64.7	-174.5	174.9	0	0	108.4	Y509 T522	E507-Y509 HydrophobicContact CB-CE2 3.91Å; E507-Y509 PolarHBondContact OE2-OH 2.87Å; E507-T522 HydrophobicContact CG-CG2 4.31Å
508	Q	80.4	Confident	80.4	Confident	120 Å²	120	72.8 Å²	72.8	56%	0.561	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.8	175.2	-65	-176.8	2	0	0	109.7	S521	Q508-S521 PolarHBondContact N-O 3.33Å; Q508-S521 PolarHBondContact O-N 2.94Å
509	Y	80.8	Confident	79.6	Confident	73 Å²	73	73.5 Å²	73.5	29%	0.286	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.1	177.6	-63.1	-79.8	0	0	0	109	M17 E507 V520	M17-Y509 HydrophobicContact CE-CD1 3.13Å; M17-Y509 HydrophobicContact CE-CE1 3.28Å; M17-Y509 HydrophobicContact CE-CG 4.17Å; M17-Y509 HydrophobicContact SD-CD1 3.91Å; E507-Y509 HydrophobicContact CB-CE2 3.91Å; E507-Y509 PolarHBondContact OE2-OH 2.87Å; Y509-V520 HydrophobicContact CD1-CG2 3.66Å; Y509-V520 HydrophobicContact CE1-CG1 4.3Å; Y509-V520 HydrophobicContact CE1-CG2 3.7Å
510	S	78.7	Confident	78.8	Confident	70 Å²	70	72 Å²	72	49%	0.49	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.8	171.8	-66.4	0	0	0	0	109.4	D518 G519	S510-D518 WeakPolarHBondContact O-CA 3.44Å; S510-G519 PolarHBondContact N-O 3.49Å; S510-G519 PolarHBondContact O-N 2.94Å
511	Y	71.9	Confident	78.2	Confident	88 Å²	88	72.4 Å²	72.4	35%	0.345	41%	0.405	S	S	.	.			trans	-111.7	124.9	-179.9	-64.2	-77.6	0	0	0	110.7	Q13 I14 M17	Q13-Y511 HydrophobicContact CB-CD1 4.32Å; Q13-Y511 HydrophobicContact CB-CE1 4.34Å; I14-Y511 WeakPolarHBondContact CG1-OH 3.49Å; M17-Y511 HydrophobicContact CB-CE1 4.43Å; M17-Y511 HydrophobicContact SD-CE1 3.76Å
512	G	69.9	Low	77.7	Confident	23 Å²	23	74.5 Å²	74.5	24%	0.237	42%	0.421	C	S	.	.			trans	-108	161.3	170.1	0	0	0	0	0	112.4	D514 D518	G512-D514 PolarHBondContact O-N 3.06Å; G512-D518 PolarHBondContact N-OD1 3.32Å
513	A	70	Confident	77.4	Confident	119 Å²	119	75.3 Å²	75.3	98%	0.983	43%	0.433	S	S	*	.	S	Bend	trans	-64.6	-25.3	161.2	0	0	0	0	0	111.5
514	D	73.4	Confident	77.4	Confident	88 Å²	88	76.5 Å²	76.5	47%	0.471	44%	0.437	S	S	.	.	S	Bend	trans	-107.4	130	177.9	-164.3	-50.1	0	0	0	110.3	G512 V516 R517	G512-D514 PolarHBondContact O-N 3.06Å; D514-V516 PolarHBondContact O-N 2.99Å; D514-V516 VanDerWaalsContact O-N 3.09Å; D514-V516 WeakPolarHBondContact OD1-CB 3.49Å; D514-V516 WeakPolarHBondContact OD1-CG2 3.22Å; D514-V516 PolarHBondContact OD1-N 2.88Å; D514-R517 PolarHBondContact O-N 3.38Å
515	P	67.6	Low	77.4	Confident	75 Å²	75	76.4 Å²	76.4	49%	0.487	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-52.2	-28.3	176.4	-28.2	34.9	0	0	0	115.1	R517 D518	P515-R517 PolarHBondContact O-N 3.4Å; P515-D518 WeakPolarHBondContact O-CB 3.27Å; P515-D518 PolarHBondContact O-N 3.48Å; P515-D518 VanDerWaalsContact O-N 3.14Å
516	V	71.1	Confident	77.6	Confident	131 Å²	131	81.1 Å²	81.1	79%	0.794	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-64.7	-22.8	-179.7	173.7	0	0	0	0	111.9	D514	D514-V516 PolarHBondContact O-N 2.99Å; D514-V516 VanDerWaalsContact O-N 3.09Å; D514-V516 WeakPolarHBondContact OD1-CB 3.49Å; D514-V516 WeakPolarHBondContact OD1-CG2 3.22Å; D514-V516 PolarHBondContact OD1-N 2.88Å
517	R	69	Low	78	Confident	195 Å²	195	82.9 Å²	82.9	74%	0.736	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-91	-9.6	177.8	-68.3	-179.2	132.5	-170.1	-3.9	113.5	D514 P515 G519	D514-R517 PolarHBondContact O-N 3.38Å; P515-R517 PolarHBondContact O-N 3.4Å; R517-G519 PolarHBondContact O-N 2.89Å
518	D	74.3	Confident	78.4	Confident	43 Å²	43	86.5 Å²	86.5	23%	0.23	47%	0.474	C	S	.	.			trans	-70.4	125.4	-179.7	-65.7	-19.5	0	0	0	109.3	R20 S510 G512 P515	R20-D518 IonicContact NH1-OD2 3.41Å; R20-D518 PolarHBondContact NH1-OD2 3.37Å; R20-D518 VanDerWaalsContact NH1-OD2 3.17Å; S510-D518 WeakPolarHBondContact O-CA 3.44Å; G512-D518 PolarHBondContact N-OD1 3.32Å; P515-D518 WeakPolarHBondContact O-CB 3.27Å; P515-D518 PolarHBondContact O-N 3.48Å; P515-D518 VanDerWaalsContact O-N 3.14Å
519	G	77.5	Confident	78.9	Confident	29 Å²	29	84.8 Å²	84.8	30%	0.299	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	145.9	-176.4	0	0	0	0	0	111.9	S510 R517	S510-G519 PolarHBondContact N-O 3.49Å; S510-G519 PolarHBondContact O-N 2.94Å; R517-G519 PolarHBondContact O-N 2.89Å
520	V	79	Confident	79.6	Confident	59 Å²	59	83.5 Å²	83.5	36%	0.358	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.4	170.7	174.9	0	0	0	0	107.5	M17 M21 Y509 T522	M17-V520 HydrophobicContact CE-CG2 4.34Å; M21-V520 HydrophobicContact CE-CB 4.24Å; M21-V520 HydrophobicContact CE-CG2 3.23Å; M21-V520 HydrophobicContact SD-CG2 3.88Å; Y509-V520 HydrophobicContact CD1-CG2 3.66Å; Y509-V520 HydrophobicContact CE1-CG1 4.3Å; Y509-V520 HydrophobicContact CE1-CG2 3.7Å; V520-T522 HydrophobicContact CG1-CG2 3.9Å
521	S	79.3	Confident	80.4	Confident	70 Å²	70	81.1 Å²	81.1	49%	0.49	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.4	168	-177.4	0	0	0	0	107.9	Q508	Q508-S521 PolarHBondContact N-O 3.33Å; Q508-S521 PolarHBondContact O-N 2.94Å
522	T	80.3	Confident	81.5	Confident	93 Å²	93	77.1 Å²	77.1	57%	0.571	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.5	172.1	57.3	0	0	0	0	108	S506 E507 V520	S506-T522 WeakPolarHBondContact O-CA 3.3Å; E507-T522 HydrophobicContact CG-CG2 4.31Å; V520-T522 HydrophobicContact CG1-CG2 3.9Å
523	G	82.3	Confident	82.8	Confident	30 Å²	30	77.7 Å²	77.7	31%	0.309	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	162.4	176.5	0	0	0	0	0	110.8	S506	S506-G523 PolarHBondContact N-O 2.85Å; S506-G523 PolarHBondContact O-N 3.46Å
524	K	85.2	Confident	84	Confident	60 Å²	60	77 Å²	77	26%	0.261	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	106.4	167.8	-82.8	-166.8	-175.1	-161	0	106.9	Q140 E145 L503 K504	Q140-K524 PolarHBondContact O-NZ 3.49Å; E145-K524 IonicContact OE2-NZ 2.6Å; E145-K524 PolarHBondContact OE2-NZ 3.34Å; E145-K524 VanDerWaalsContact OE2-NZ 3.17Å; L503-K524 HydrophobicContact CB-CB 4.04Å; L503-K524 HydrophobicContact CB-CD 4.02Å; L503-K524 HydrophobicContact CB-CG 4.38Å; L503-K524 HydrophobicContact CD1-CD 4.14Å; L503-K524 HydrophobicContact CD2-CB 4.26Å; L503-K524 HydrophobicContact CG-CB 4.49Å; K504-K524 WeakPolarHBondContact O-CA 3.3Å
525	D	86.5	Confident	85.1	Confident	90 Å²	90	75.2 Å²	75.2	48%	0.481	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129.8	-179.9	-62.5	-38.6	0	0	0	108.9	L503 K504 S506 E527	L503-D525 CarbonylContact C-O 3.58Å; L503-D525 WeakPolarHBondContact CA-O 3.36Å; K504-D525 PolarHBondContact N-O 2.86Å; K504-D525 PolarHBondContact O-N 3.35Å; S506-D525 WeakPolarHBondContact CB-OD2 3.47Å; S506-D525 PolarHBondContact OG-OD2 3.48Å; D525-E527 PolarHBondContact O-N 3.5Å
526	M	87.9	Confident	86.5	Confident	125 Å²	125	74.9 Å²	74.9	62%	0.616	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	115.5	175.2	-175.3	176.9	-72.7	0	0	109.2	L503	L503-M526 HydrophobicContact CD2-CB 4.03Å; L503-M526 HydrophobicContact CD2-CE 4.46Å
527	E	89.8	Confident	87.8	Confident	68 Å²	68	68.7 Å²	68.7	32%	0.318	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.2	178.7	-165.1	176.8	163.4	0	0	110	H502 K504 D525	H502-E527 PolarHBondContact N-O 2.94Å; H502-E527 VanDerWaalsContact N-O 3.08Å; H502-E527 PolarHBondContact O-N 3.03Å; K504-E527 WeakPolarHBondContact CD-OE2 3.27Å; K504-E527 IonicContact NZ-OE1 3.17Å; K504-E527 IonicContact NZ-OE2 3.17Å; K504-E527 PolarHBondContact NZ-OE2 3.4Å; D525-E527 PolarHBondContact O-N 3.5Å
528	R	91.5	Very high	89.1	Confident	168 Å²	168	62.3 Å²	62.3	63%	0.634	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.7	167.8	-66.9	-168.4	169.3	162.5	-1.1	108.7	E501	E501-R528 HydrophobicContact CG-CG 4.19Å; E501-R528 IonicContact OE1-CZ 2.68Å; E501-R528 IonicContact OE1-NE 3.5Å; E501-R528 PolarHBondContact OE1-NE 2.91Å; E501-R528 IonicContact OE1-NH2 3.48Å; E501-R528 PolarHBondContact OE1-NH2 3.2Å
529	Q	91.5	Very high	90.2	Very high	83 Å²	83	64.4 Å²	64.4	39%	0.388	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	137.2	-179.8	-166.9	-176.3	33	0	0	109.7	E499 K500	E499-Q529 CarbonylContact C-O 3.56Å; E499-Q529 VanDerWaalsContact CA-O 3.31Å; E499-Q529 WeakPolarHBondContact CA-O 3.33Å; K500-Q529 HydrophobicContact CG-CB 4.49Å; K500-Q529 WeakPolarHBondContact CG-O 3.4Å; K500-Q529 PolarHBondContact N-O 2.92Å; K500-Q529 PolarHBondContact O-N 3.44Å
530	T	95.2	Very high	91.1	Very high	47 Å²	47	63.1 Å²	63.1	29%	0.288	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	145.2	169.5	58.9	0	0	0	0	110.3	E499 V532	E499-T530 HydrophobicContact CG-CG2 4.22Å; T530-V532 VanDerWaalsContact CB-O 3.27Å; T530-V532 WeakPolarHBondContact CB-O 3.37Å; T530-V532 PolarHBondContact O-N 3.44Å; T530-V532 PolarHBondContact OG1-O 2.89Å
531	L	94.8	Very high	91.9	Very high	20 Å²	20	64.1 Å²	64.1	11%	0.105	35%	0.347	C	S	.	.	S	Bend	trans	-62.9	-32.2	179.1	-78	172.6	0	0	0	112.6	R150 L152 I497 G498 K500 A555	R150-L531 HydrophobicContact CB-CD1 3.8Å; R150-L531 HydrophobicContact CG-CD1 3.85Å; R150-L531 WeakPolarHBondContact O-CD2 3.47Å; L152-L531 HydrophobicContact CB-CB 4.33Å; L152-L531 HydrophobicContact CB-CD1 4.48Å; L152-L531 HydrophobicContact CB-CD2 3.89Å; L152-L531 HydrophobicContact CB-CG 4.48Å; I497-L531 HydrophobicContact CG2-CB 4.11Å; I497-L531 HydrophobicContact CG2-CD1 4.11Å; G498-L531 WeakPolarHBondContact O-CB 3.21Å; G498-L531 WeakPolarHBondContact O-CG 3.22Å; G498-L531 PolarHBondContact O-N 3.44Å; K500-L531 HydrophobicContact CB-CD2 4.1Å; K500-L531 HydrophobicContact CD-CD2 4.32Å; K500-L531 HydrophobicContact CG-CD2 4.23Å; L531-A555 HydrophobicContact CD1-CB 4.25Å
532	V	96.1	Very high	92.8	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.024	35%	0.345	C	S	.	.	S	Bend	trans	-133.9	146	177.8	-61.1	0	0	0	0	108.3	L152 A494 I497 T530 D536 I537 Y546	L152-V532 HydrophobicContact CD2-CG1 3.66Å; A494-V532 HydrophobicContact CB-CG2 4.24Å; I497-V532 HydrophobicContact CB-CG2 4.34Å; I497-V532 HydrophobicContact CD1-CG2 3.54Å; I497-V532 HydrophobicContact CG2-CG2 4.25Å; T530-V532 VanDerWaalsContact CB-O 3.27Å; T530-V532 WeakPolarHBondContact CB-O 3.37Å; T530-V532 PolarHBondContact O-N 3.44Å; T530-V532 PolarHBondContact OG1-O 2.89Å; V532-D536 HydrophobicContact CB-CB 4.26Å; V532-I537 HydrophobicContact CG2-CD1 3.86Å; V532-I537 HydrophobicContact CG2-CG1 4.03Å; V532-Y546 HydrophobicContact CB-CE2 4.45Å; V532-Y546 HydrophobicContact CG1-CD1 4.12Å; V532-Y546 HydrophobicContact CG1-CD2 4.41Å; V532-Y546 HydrophobicContact CG1-CE1 3.59Å; V532-Y546 HydrophobicContact CG1-CE2 3.95Å; V532-Y546 HydrophobicContact CG1-CG 4.5Å
533	S	96.1	Very high	93.5	Very high	35 Å²	35	62.3 Å²	62.3	25%	0.245	33%	0.328	C	S	.	.			trans	-78.3	158.2	171.2	65.1	0	0	0	0	110.6	S535 D536 I537	S533-S535 WeakPolarHBondContact CB-OG 3.36Å; S533-S535 PolarHBondContact O-N 3.37Å; S533-S535 PolarHBondContact OG-OG 3.38Å; S533-D536 WeakPolarHBondContact CB-OD2 3.16Å; S533-D536 PolarHBondContact N-OD2 3.25Å; S533-D536 WeakPolarHBondContact O-CB 3.36Å; S533-D536 PolarHBondContact O-N 3Å; S533-D536 VanDerWaalsContact O-N 3.08Å; S533-D536 PolarHBondContact OG-N 3.41Å; S533-D536 PolarHBondContact OG-OD2 2.87Å; S533-I537 PolarHBondContact O-N 2.93Å
534	Y	95.8	Very high	94.3	Very high	103 Å²	103	61.2 Å²	61.2	40%	0.404	32%	0.315	S	S	.	.	H	α-helix	trans	-56.5	-33.7	170.2	70.4	-99.6	0	0	0	111.1	H487 I537 Q538	H487-Y534 AromaticContact CD2-CD2 3.66Å; H487-Y534 AromaticContact CD2-CE2 3.66Å; H487-Y534 AromaticContact CD2-CG 3.91Å; H487-Y534 AromaticContact CD2-CZ 3.87Å; H487-Y534 AromaticContact NE2-CD1 3.75Å; H487-Y534 AromaticContact NE2-CE1 3.71Å; H487-Y534 AromaticContact NE2-CG 3.99Å; H487-Y534 AromaticContact NE2-CZ 3.92Å; Y534-I537 PolarHBondContact O-N 3.25Å; Y534-Q538 WeakPolarHBondContact O-CG 3.3Å; Y534-Q538 PolarHBondContact O-N 3.47Å
535	S	96.8	Very high	94.8	Very high	52 Å²	52	58.4 Å²	58.4	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-67.4	-33.4	177.4	42.4	0	0	0	0	113	S533 I537 Q538 S539	S533-S535 WeakPolarHBondContact CB-OG 3.36Å; S533-S535 PolarHBondContact O-N 3.37Å; S533-S535 PolarHBondContact OG-OG 3.38Å; S535-I537 VanDerWaalsContact C-N 3.27Å; S535-I537 PolarHBondContact O-N 2.78Å; S535-Q538 PolarHBondContact O-N 2.89Å; S535-S539 WeakPolarHBondContact O-CB 3.26Å; S535-S539 PolarHBondContact O-N 2.91Å; S535-S539 PolarHBondContact O-OG 3.28Å
536	D	96.9	Very high	95.4	Very high	68 Å²	68	54.4 Å²	54.4	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-63.4	-39.1	173.1	-65.3	-49	0	0	0	110.4	V532 S533 S539 L540	V532-D536 HydrophobicContact CB-CB 4.26Å; S533-D536 WeakPolarHBondContact CB-OD2 3.16Å; S533-D536 PolarHBondContact N-OD2 3.25Å; S533-D536 WeakPolarHBondContact O-CB 3.36Å; S533-D536 PolarHBondContact O-N 3Å; S533-D536 VanDerWaalsContact O-N 3.08Å; S533-D536 PolarHBondContact OG-N 3.41Å; S533-D536 PolarHBondContact OG-OD2 2.87Å; D536-S539 PolarHBondContact O-N 2.91Å; D536-S539 PolarHBondContact O-OG 3.42Å; D536-L540 WeakPolarHBondContact O-CG 3.36Å; D536-L540 PolarHBondContact O-N 3.4Å; D536-L540 VanDerWaalsContact O-N 3.14Å
537	I	97.4	Very high	95.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-70.6	-41	177.8	-63.5	174.3	0	0	0	111.4	R483 A490 A493 A494 I497 V532 S533 Y534 S535 S539 L540 Y546	R483-I537 WeakPolarHBondContact CA-O 3.31Å; A490-I537 HydrophobicContact CB-CB 4.2Å; A490-I537 HydrophobicContact CB-CG2 4.06Å; A490-I537 WeakPolarHBondContact O-CD1 3.27Å; A493-I537 HydrophobicContact CB-CD1 3.74Å; A493-I537 HydrophobicContact CB-CG2 4.4Å; A494-I537 HydrophobicContact CB-CD1 3.74Å; A494-I537 VanDerWaalsContact N-CD1 3.25Å; I497-I537 HydrophobicContact CD1-CD1 3.91Å; I497-I537 HydrophobicContact CD1-CG1 4.48Å; V532-I537 HydrophobicContact CG2-CD1 3.86Å; V532-I537 HydrophobicContact CG2-CG1 4.03Å; S533-I537 PolarHBondContact O-N 2.93Å; Y534-I537 PolarHBondContact O-N 3.25Å; S535-I537 VanDerWaalsContact C-N 3.27Å; S535-I537 PolarHBondContact O-N 2.78Å; I537-S539 VanDerWaalsContact C-N 3.3Å; I537-S539 PolarHBondContact O-N 3.49Å; I537-L540 PolarHBondContact O-N 3.12Å; I537-Y546 HydrophobicContact CG1-CE2 4.43Å
538	Q	97.4	Very high	96.2	Very high	62 Å²	62	45.5 Å²	45.5	29%	0.29	24%	0.239	S	C	.	.	H	α-helix	trans	-62.9	-36.9	175.5	-75.4	176.7	-37.2	0	0	112.6	R483 S484 P485 A490 Y534 S535	R483-Q538 WeakPolarHBondContact CD-O 3.47Å; R483-Q538 WeakPolarHBondContact CG-O 3.26Å; S484-Q538 WeakPolarHBondContact O-CA 2.74Å; S484-Q538 VanDerWaalsContact O-CG 3.23Å; S484-Q538 WeakPolarHBondContact O-CG 3.47Å; P485-Q538 PolarHBondContact O-NE2 3.34Å; A490-Q538 HydrophobicContact CB-CG 3.89Å; Y534-Q538 WeakPolarHBondContact O-CG 3.3Å; Y534-Q538 PolarHBondContact O-N 3.47Å; S535-Q538 PolarHBondContact O-N 2.89Å
539	S	96.4	Very high	96.5	Very high	86 Å²	86	37.6 Å²	37.6	60%	0.601	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	1.4	-176.9	62.6	0	0	0	0	114.3	S535 D536 I537 P541	S535-S539 WeakPolarHBondContact O-CB 3.26Å; S535-S539 PolarHBondContact O-N 2.91Å; S535-S539 PolarHBondContact O-OG 3.28Å; D536-S539 PolarHBondContact O-N 2.91Å; D536-S539 PolarHBondContact O-OG 3.42Å; I537-S539 VanDerWaalsContact C-N 3.3Å; I537-S539 PolarHBondContact O-N 3.49Å; S539-P541 WeakPolarHBondContact O-CD 3.3Å
540	L	97	Very high	96.6	Very high	3 Å²	3	35 Å²	35	2%	0.016	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-54.5	126.3	176.8	-87	178.4	0	0	0	111.5	R483 D536 I537 T544 Y546	R483-L540 HydrophobicContact CB-CB 3.92Å; R483-L540 VanDerWaalsContact CD-O 3.24Å; R483-L540 WeakPolarHBondContact CD-O 3.35Å; D536-L540 WeakPolarHBondContact O-CG 3.36Å; D536-L540 PolarHBondContact O-N 3.4Å; D536-L540 VanDerWaalsContact O-N 3.14Å; I537-L540 PolarHBondContact O-N 3.12Å; L540-T544 HydrophobicContact CD2-CG2 3.82Å; L540-Y546 HydrophobicContact CD1-CD2 3.82Å; L540-Y546 HydrophobicContact CD1-CE2 3.78Å; L540-Y546 HydrophobicContact CD2-CD2 4.36Å; L540-Y546 HydrophobicContact CD2-CE2 3.69Å; L540-Y546 HydrophobicContact CG-CD2 4.5Å; L540-Y546 HydrophobicContact CG-CE2 3.96Å
541	P	96.8	Very high	96.4	Very high	80 Å²	80	35.3 Å²	35.3	52%	0.519	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-62.9	156.2	172.3	-22.1	33.5	0	0	0	112	S539 T544	S539-P541 WeakPolarHBondContact O-CD 3.3Å; P541-T544 VanDerWaalsContact O-CB 3.3Å; P541-T544 WeakPolarHBondContact O-CB 3.29Å; P541-T544 PolarHBondContact O-N 2.99Å; P541-T544 VanDerWaalsContact O-N 3.09Å
542	D	96.4	Very high	96.2	Very high	84 Å²	84	39.3 Å²	39.3	45%	0.449	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	147.5	172.1	-67.4	-35.7	0	0	0	111.1	R483 T544	R483-D542 IonicContact CZ-OD1 3.76Å; R483-D542 IonicContact NE-OD1 3.4Å; R483-D542 IonicContact NH2-OD1 3.59Å; R483-D542 PolarHBondContact NH2-OD1 3.17Å; R483-D542 IonicContact NH2-OD2 2.89Å; R483-D542 PolarHBondContact NH2-OD2 3.41Å; D542-T544 PolarHBondContact O-N 2.86Å
543	L	96.5	Very high	96.2	Very high	41 Å²	41	39.3 Å²	39.3	22%	0.215	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	14.6	-173.5	-54.6	166.8	0	0	0	114	A196 E200 L560	A196-L543 WeakPolarHBondContact O-CA 3.47Å; A196-L543 PolarHBondContact O-N 3.25Å; E200-L543 HydrophobicContact CB-CD2 4.15Å; E200-L543 HydrophobicContact CG-CD2 4.39Å; L543-L560 HydrophobicContact CB-CB 4.25Å; L543-L560 VanDerWaalsContact CB-O 3.31Å; L543-L560 WeakPolarHBondContact CB-O 3.38Å; L543-L560 WeakPolarHBondContact O-CB 3.35Å; L543-L560 PolarHBondContact O-N 3.32Å
544	T	97.5	Very high	96.2	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.043	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.6	172.2	-53.5	0	0	0	0	110.4	L540 P541 D542 K557 L558 S559	L540-T544 HydrophobicContact CD2-CG2 3.82Å; P541-T544 VanDerWaalsContact O-CB 3.3Å; P541-T544 WeakPolarHBondContact O-CB 3.29Å; P541-T544 PolarHBondContact O-N 2.99Å; P541-T544 VanDerWaalsContact O-N 3.09Å; D542-T544 PolarHBondContact O-N 2.86Å; T544-K557 HydrophobicContact CG2-CG 4.22Å; T544-L558 CarbonylContact C-O 3.55Å; T544-L558 VanDerWaalsContact CA-O 3.26Å; T544-L558 WeakPolarHBondContact CA-O 3.41Å; T544-L558 WeakPolarHBondContact CG2-O 3.35Å; T544-S559 PolarHBondContact OG1-OG 2.82Å; T544-S559 VanDerWaalsContact OG1-OG 3.08Å
545	C	97.5	Very high	96.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159.8	-179.8	60.8	0	0	0	0	112.1	F481 F482 L558	F481-C545 CarbonylContact O-C 3.55Å; F481-C545 WeakPolarHBondContact O-CA 3.4Å; F481-C545 VanDerWaalsContact O-CB 3.27Å; F481-C545 WeakPolarHBondContact O-CB 3.49Å; F482-C545 HydrophobicContact CD1-CB 3.68Å; F482-C545 HydrophobicContact CD2-CB 4.05Å; F482-C545 HydrophobicContact CE1-CB 3.69Å; F482-C545 HydrophobicContact CE2-CB 4.05Å; F482-C545 HydrophobicContact CG-CB 3.87Å; F482-C545 HydrophobicContact CZ-CB 3.87Å; C545-L558 PolarHBondContact N-O 2.95Å; C545-L558 PolarHBondContact O-N 3.1Å
546	Y	98.1	Very high	96.3	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.027	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.3	165.4	-65.5	-76.2	0	0	0	109.2	L152 A480 F481 I497 V532 I537 L540 V556 K557	L152-Y546 HydrophobicContact CD1-CD1 3.73Å; L152-Y546 HydrophobicContact CD1-CE1 3.85Å; L152-Y546 HydrophobicContact CD2-CE1 4.22Å; A480-Y546 CarbonylContact C-O 3.44Å; A480-Y546 WeakPolarHBondContact CA-O 3.33Å; F481-Y546 PolarHBondContact N-O 2.88Å; F481-Y546 PolarHBondContact O-N 3.08Å; I497-Y546 HydrophobicContact CD1-CD2 3.87Å; I497-Y546 HydrophobicContact CD1-CG 3.92Å; V532-Y546 HydrophobicContact CB-CE2 4.45Å; V532-Y546 HydrophobicContact CG1-CD1 4.12Å; V532-Y546 HydrophobicContact CG1-CD2 4.41Å; V532-Y546 HydrophobicContact CG1-CE1 3.59Å; V532-Y546 HydrophobicContact CG1-CE2 3.95Å; V532-Y546 HydrophobicContact CG1-CG 4.5Å; I537-Y546 HydrophobicContact CG1-CE2 4.43Å; L540-Y546 HydrophobicContact CD1-CD2 3.82Å; L540-Y546 HydrophobicContact CD1-CE2 3.78Å; L540-Y546 HydrophobicContact CD2-CD2 4.36Å; L540-Y546 HydrophobicContact CD2-CE2 3.69Å; L540-Y546 HydrophobicContact CG-CD2 4.5Å; L540-Y546 HydrophobicContact CG-CE2 3.96Å; Y546-V556 CarbonylContact C-O 3.59Å; Y546-V556 WeakPolarHBondContact CA-O 3.32Å; Y546-K557 HydrophobicContact CD1-CB 3.84Å; Y546-K557 HydrophobicContact CD1-CG 4.06Å; Y546-K557 HydrophobicContact CE1-CB 3.61Å; Y546-K557 HydrophobicContact CE1-CD 3.79Å; Y546-K557 HydrophobicContact CE1-CG 3.59Å
547	V	97.8	Very high	96.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.6	178.2	178.8	0	0	0	0	110.2	L177 R479 A480 L549 A555 V556 L558	L177-V547 HydrophobicContact CD2-CB 4.13Å; L177-V547 HydrophobicContact CD2-CG1 3.9Å; R479-V547 CarbonylContact O-C 3.59Å; R479-V547 WeakPolarHBondContact O-CA 3.42Å; A480-V547 HydrophobicContact CB-CG2 3.94Å; V547-L549 HydrophobicContact CG1-CD2 4.16Å; V547-A555 WeakPolarHBondContact O-CA 3.26Å; V547-V556 PolarHBondContact N-O 3.48Å; V547-V556 PolarHBondContact O-N 3.19Å; V547-L558 HydrophobicContact CB-CD1 4.05Å; V547-L558 HydrophobicContact CG2-CD1 3.54Å; V547-L558 HydrophobicContact CG2-CG 4.3Å
548	T	97.2	Very high	96.3	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.5	172.6	60.3	0	0	0	0	109.4	R479 F481 I497 A555	R479-T548 WeakPolarHBondContact CB-OG1 3.12Å; R479-T548 PolarHBondContact N-O 3.25Å; R479-T548 VanDerWaalsContact N-O 3.1Å; R479-T548 PolarHBondContact O-N 3.47Å; R479-T548 PolarHBondContact O-OG1 3.12Å; F481-T548 HydrophobicContact CE2-CG2 4.47Å; I497-T548 HydrophobicContact CG1-CG2 4.47Å; T548-A555 HydrophobicContact CG2-CB 4.14Å
549	L	96.6	Very high	96.2	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	21%	0.209	C	C	.	.			trans	-97.1	150.1	172.2	-58.6	179.9	0	0	0	109.5	V159 L163 L177 I179 I180 T478 V547	V159-L549 HydrophobicContact CG1-CD1 4.23Å; L163-L549 HydrophobicContact CD1-CD1 4.05Å; L177-L549 HydrophobicContact CD1-CD1 4.3Å; L177-L549 HydrophobicContact CD2-CD1 4.29Å; L177-L549 HydrophobicContact CD2-CG 4.47Å; L177-L549 HydrophobicContact CG-CD1 4.42Å; I179-L549 HydrophobicContact CG2-CD2 4.48Å; I180-L549 HydrophobicContact CD1-CB 3.91Å; T478-L549 HydrophobicContact CG2-CD2 3.99Å; V547-L549 HydrophobicContact CG1-CD2 4.16Å
550	P	93.5	Very high	96.1	Very high	29 Å²	29	29 Å²	29	19%	0.188	18%	0.183	C	C	.	.	S	Bend	trans	-64.1	146.1	174	23.5	-31.6	0	0	0	112	I180 N477 Y553	I180-P550 HydrophobicContact CD1-CG 3.73Å; I180-P550 WeakPolarHBondContact CD1-O 3.44Å; N477-P550 HydrophobicContact CB-CB 4.14Å; N477-P550 HydrophobicContact CB-CG 4.06Å; P550-Y553 WeakPolarHBondContact O-CD2 3.37Å
551	G	91.3	Very high	95.9	Very high	52 Å²	52	37.1 Å²	37.1	54%	0.536	22%	0.218	S	C	.	.	S	Bend	trans	94.8	-159.4	177.9	0	0	0	0	0	114.1	Y553	G551-Y553 PolarHBondContact O-N 3.35Å; G551-Y553 VanDerWaalsContact O-N 3.14Å
552	P	92	Very high	95.7	Very high	104 Å²	104	40.7 Å²	40.7	68%	0.675	22%	0.222	S	C	*	.	S	Bend	trans	-83	16.5	-168.2	36.2	-38	0	0	0	113.6
553	Y	95.4	Very high	95.4	Very high	5 Å²	5	41 Å²	41	2%	0.02	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-84.3	139.4	-173.7	-57.6	-69.5	0	0	0	110.8	V159 M162 L163 D166 I180 P550 G551	V159-Y553 HydrophobicContact CG1-CD1 4.27Å; V159-Y553 HydrophobicContact CG1-CG 4.39Å; M162-Y553 HydrophobicContact CB-CD1 4.14Å; M162-Y553 HydrophobicContact CB-CE1 4.12Å; M162-Y553 HydrophobicContact CE-CD1 4.18Å; L163-Y553 HydrophobicContact CD2-CD1 4.09Å; L163-Y553 HydrophobicContact CD2-CD2 4.14Å; L163-Y553 HydrophobicContact CD2-CE1 3.63Å; L163-Y553 HydrophobicContact CD2-CE2 3.66Å; L163-Y553 HydrophobicContact CD2-CG 4.34Å; L163-Y553 VanDerWaalsContact CD2-CZ 3.41Å; L163-Y553 HydrophobicContact CG-CD1 4.25Å; L163-Y553 HydrophobicContact CG-CE1 4.02Å; D166-Y553 WeakPolarHBondContact OD2-CE1 3.32Å; D166-Y553 PolarHBondContact OD2-OH 2.87Å; I180-Y553 HydrophobicContact CD1-CD2 3.7Å; I180-Y553 HydrophobicContact CD1-CE2 3.63Å; I180-Y553 HydrophobicContact CG1-CD2 4.22Å; I180-Y553 HydrophobicContact CG1-CE2 3.91Å; P550-Y553 WeakPolarHBondContact O-CD2 3.37Å; G551-Y553 PolarHBondContact O-N 3.35Å; G551-Y553 VanDerWaalsContact O-N 3.14Å
554	P	95.9	Very high	95.1	Very high	10 Å²	10	43 Å²	43	7%	0.065	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-55.3	145.9	172.9	-25.1	32.9	0	0	0	112.2	Q151 T153 V159 M162	Q151-P554 HydrophobicContact CB-CB 4Å; Q151-P554 HydrophobicContact CB-CG 4.12Å; Q151-P554 CarbonylContact O-C 3.51Å; Q151-P554 WeakPolarHBondContact O-CA 3.45Å; Q151-P554 WeakPolarHBondContact O-CB 3.45Å; T153-P554 HydrophobicContact CG2-CB 4.06Å; V159-P554 HydrophobicContact CG2-CB 4.06Å; V159-P554 HydrophobicContact CG2-CG 4.11Å; M162-P554 HydrophobicContact SD-CG 4.16Å
555	A	97.2	Very high	94.7	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	143.7	161.5	0	0	0	0	0	109.1	Q151 L152 T153 I497 L531 V547 T548	Q151-A555 PolarHBondContact O-N 3.11Å; L152-A555 WeakPolarHBondContact CA-O 3.33Å; L152-A555 HydrophobicContact CD1-CB 4.01Å; T153-A555 PolarHBondContact N-O 3.48Å; I497-A555 HydrophobicContact CG2-CB 4.05Å; L531-A555 HydrophobicContact CD1-CB 4.25Å; V547-A555 WeakPolarHBondContact O-CA 3.26Å; T548-A555 HydrophobicContact CG2-CB 4.14Å
556	V	97.7	Very high	94.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.1	-175.1	-172.1	0	0	0	0	110.6	T153 P156 V159 L177 Y546 V547 L558	T153-V556 HydrophobicContact CG2-CG1 4.49Å; T153-V556 HydrophobicContact CG2-CG2 4.01Å; T153-V556 VanDerWaalsContact O-CA 3.29Å; T153-V556 WeakPolarHBondContact O-CA 3.43Å; P156-V556 HydrophobicContact CB-CG1 4.03Å; V159-V556 HydrophobicContact CB-CG2 4.12Å; V159-V556 HydrophobicContact CG2-CG2 3.45Å; V159-V556 VanDerWaalsContact CG2-CG2 3.45Å; L177-V556 HydrophobicContact CD1-CG2 4.09Å; L177-V556 HydrophobicContact CD2-CB 4.05Å; L177-V556 HydrophobicContact CD2-CG2 3.98Å; Y546-V556 CarbonylContact C-O 3.59Å; Y546-V556 WeakPolarHBondContact CA-O 3.32Å; V547-V556 PolarHBondContact N-O 3.48Å; V547-V556 PolarHBondContact O-N 3.19Å; V556-L558 HydrophobicContact CB-CD2 4.46Å; V556-L558 HydrophobicContact CB-CG 4.36Å; V556-L558 HydrophobicContact CG1-CD2 3.52Å; V556-L558 HydrophobicContact CG1-CG 3.87Å; V556-L558 PolarHBondContact O-N 3.41Å
557	K	97.6	Very high	94.1	Very high	68 Å²	68	55.9 Å²	55.9	30%	0.296	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	119	166.2	-166	177.6	-177	169.3	0	109.1	T153 D154 T544 Y546	T153-K557 PolarHBondContact O-N 3.5Å; D154-K557 WeakPolarHBondContact OD1-CB 3.32Å; D154-K557 WeakPolarHBondContact OD1-CD 3.32Å; T544-K557 HydrophobicContact CG2-CG 4.22Å; Y546-K557 HydrophobicContact CD1-CB 3.84Å; Y546-K557 HydrophobicContact CD1-CG 4.06Å; Y546-K557 HydrophobicContact CE1-CB 3.61Å; Y546-K557 HydrophobicContact CE1-CD 3.79Å; Y546-K557 HydrophobicContact CE1-CG 3.59Å
558	L	96	Very high	94	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.037	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.2	-177.1	-67.9	-178.3	0	0	0	111	P156 I174 L177 T544 C545 V547 V556	P156-L558 HydrophobicContact CB-CD2 3.7Å; P156-L558 HydrophobicContact CG-CD2 3.87Å; I174-L558 HydrophobicContact CB-CD1 4.35Å; I174-L558 HydrophobicContact CG2-CD1 4.03Å; L177-L558 HydrophobicContact CB-CD1 3.92Å; L177-L558 HydrophobicContact CB-CD2 4.09Å; L177-L558 HydrophobicContact CD2-CD1 3.89Å; T544-L558 CarbonylContact C-O 3.55Å; T544-L558 VanDerWaalsContact CA-O 3.26Å; T544-L558 WeakPolarHBondContact CA-O 3.41Å; T544-L558 WeakPolarHBondContact CG2-O 3.35Å; C545-L558 PolarHBondContact N-O 2.95Å; C545-L558 PolarHBondContact O-N 3.1Å; V547-L558 HydrophobicContact CB-CD1 4.05Å; V547-L558 HydrophobicContact CG2-CD1 3.54Å; V547-L558 HydrophobicContact CG2-CG 4.3Å; V556-L558 HydrophobicContact CB-CD2 4.46Å; V556-L558 HydrophobicContact CB-CG 4.36Å; V556-L558 HydrophobicContact CG1-CD2 3.52Å; V556-L558 HydrophobicContact CG1-CG 3.87Å; V556-L558 PolarHBondContact O-N 3.41Å
559	S	95.9	Very high	93.8	Very high	93 Å²	93	60.1 Å²	60.1	65%	0.65	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.7	164.5	-68	0	0	0	0	110.4	T544	T544-S559 PolarHBondContact OG1-OG 2.82Å; T544-S559 VanDerWaalsContact OG1-OG 3.08Å
560	L	94.9	Very high	93.7	Very high	11 Å²	11	63 Å²	63	6%	0.058	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-92.3	138.2	-180	-52.2	171.5	0	0	0	109.5	I174 V201 R204 F482 L543	I174-L560 HydrophobicContact CG2-CD2 3.96Å; V201-L560 HydrophobicContact CG2-CD1 3.49Å; V201-L560 VanDerWaalsContact CG2-CD1 3.49Å; R204-L560 VanDerWaalsContact NH1-CD2 3.32Å; F482-L560 HydrophobicContact CE1-CD1 4.25Å; F482-L560 HydrophobicContact CZ-CD1 4.29Å; L543-L560 HydrophobicContact CB-CB 4.25Å; L543-L560 VanDerWaalsContact CB-O 3.31Å; L543-L560 WeakPolarHBondContact CB-O 3.38Å; L543-L560 WeakPolarHBondContact O-CB 3.35Å; L543-L560 PolarHBondContact O-N 3.32Å
561	K	93	Very high	93.7	Very high	174 Å²	174	65.7 Å²	65.7	76%	0.757	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-84.3	130	166.8	-63.7	-177.4	-179.5	179.7	0	110.2	R204 Q563	R204-K561 PolarHBondContact NH2-O 3.37Å; K561-Q563 PolarHBondContact O-N 2.82Å
562	Y	92.9	Very high	93.8	Very high	155 Å²	155	66 Å²	66	61%	0.608	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-61.1	134.8	169.4	179.2	-105.4	0	0	0	110.3	A564	Y562-A564 HydrophobicContact CE1-CB 3.98Å
563	Q	89.9	Confident	93.9	Very high	89 Å²	89	64 Å²	64	42%	0.416	33%	0.333	S	S	.	.			trans	-117.2	108.4	174.6	-65.4	-178.5	9.6	0	0	108.7	K561 R565	K561-Q563 PolarHBondContact O-N 2.82Å; Q563-R565 PolarHBondContact O-N 3.38Å; Q563-R565 PolarHBondContact O-NH1 3.38Å
564	A	89.4	Confident	93.8	Very high	83 Å²	83	68.3 Å²	68.3	69%	0.686	36%	0.362	S	S	*	.			trans	-62.5	130.2	171.1	0	0	0	0	0	109.1	Y562	Y562-A564 HydrophobicContact CE1-CB 3.98Å
565	R	89.3	Confident	93.6	Very high	49 Å²	49	69.4 Å²	69.4	19%	0.185	36%	0.364	C	S	.	.			trans	-109.8	142.5	179.9	-70.6	172.9	-175.8	76	1	109.9	E200 R203 Y229 Q563	E200-R565 IonicContact OE1-CZ 3.62Å; E200-R565 IonicContact OE1-NH1 3.69Å; E200-R565 IonicContact OE1-NH2 2.74Å; E200-R565 PolarHBondContact OE1-NH2 3.06Å; E200-R565 IonicContact OE2-CZ 2.63Å; E200-R565 IonicContact OE2-NH1 3.54Å; E200-R565 PolarHBondContact OE2-NH1 2.98Å; E200-R565 IonicContact OE2-NH2 3.56Å; R203-R565 VanDerWaalsContact CD-CZ 3.42Å; Y229-R565 PolarHBondContact OH-NE 2.86Å; Q563-R565 PolarHBondContact O-N 3.38Å; Q563-R565 PolarHBondContact O-NH1 3.38Å
566	P	91	Very high	93.2	Very high	97 Å²	97	76.6 Å²	76.6	63%	0.63	40%	0.403	S	S	*	.			trans	-65.1	141.8	178.1	28	-33.8	0	0	0	110.2	V568	P566-V568 HydrophobicContact CG-CG1 4.31Å; P566-V568 PolarHBondContact O-N 3.26Å
567	K	92.8	Very high	92.6	Very high	140 Å²	140	78.2 Å²	78.2	61%	0.609	41%	0.411	S	S	*	.			trans	-76.1	103.6	169.6	178.7	169.7	-177.4	176.7	0	108.4	K227	K227-K567 HydrophobicContact CG-CB 4.45Å; K227-K567 HydrophobicContact CG-CD 4.27Å; K227-K567 HydrophobicContact CG-CG 3.88Å
568	V	94.3	Very high	91.9	Very high	84 Å²	84	78.3 Å²	78.3	51%	0.509	42%	0.415	S	S	.	.			trans	-92.2	-26.1	-178.4	-61.2	0	0	0	0	112.6	K227 S228 P566	K227-V568 WeakPolarHBondContact O-CG2 3.31Å; K227-V568 PolarHBondContact O-N 3.05Å; S228-V568 VanDerWaalsContact C-CG2 3.48Å; P566-V568 HydrophobicContact CG-CG1 4.31Å; P566-V568 PolarHBondContact O-N 3.26Å
569	A	94	Very high	91.2	Very high	11 Å²	11	81.8 Å²	81.8	9%	0.091	44%	0.438	C	S	.	.	S	Bend	trans	-143.1	158.8	-179.8	0	0	0	0	0	111.8	K227 Y230	K227-A569 WeakPolarHBondContact CA-O 3.39Å; K227-A569 PolarHBondContact O-N 3.32Å; Y230-A569 HydrophobicContact CD1-CB 3.95Å
570	P	94.2	Very high	90.5	Very high	63 Å²	63	84.9 Å²	84.9	41%	0.409	44%	0.442	S	S	.	.			trans	-60.4	140	163.7	-20.4	33.2	0	0	0	110.8	R244 F572 I573	R244-P570 PolarHBondContact NH1-O 3.37Å; R244-P570 PolarHBondContact NH2-O 3.46Å; R244-P570 VanDerWaalsContact NH2-O 3.13Å; P570-F572 VanDerWaalsContact C-N 3.33Å; P570-I573 HydrophobicContact CB-CD1 4.45Å; P570-I573 HydrophobicContact CB-CG1 4.01Å; P570-I573 HydrophobicContact CG-CD1 4.24Å; P570-I573 HydrophobicContact CG-CG1 4.31Å
571	E	92.8	Very high	89.6	Confident	85 Å²	85	86.8 Å²	86.8	40%	0.397	45%	0.452	S	S	.	.	S	Bend	trans	-62.1	-42.6	176.1	60.9	-154.4	-165.1	0	0	111.4	K227 R244	K227-E571 HydrophobicContact CB-CB 4.36Å; K227-E571 IonicContact NZ-OE2 3.96Å; R244-E571 PolarHBondContact NH2-O 3.26Å
572	F	94.2	Very high	89.1	Confident	57 Å²	57	80.1 Å²	80.1	25%	0.25	42%	0.423	C	S	.	.			trans	-144.6	137.6	-178.4	178.5	-116.6	0	0	0	110.3	L241 D242 P570 P574	L241-F572 VanDerWaalsContact C-CE2 3.48Å; L241-F572 HydrophobicContact CB-CE2 4.06Å; L241-F572 HydrophobicContact CB-CZ 3.95Å; L241-F572 VanDerWaalsContact O-CE2 3.24Å; L241-F572 WeakPolarHBondContact O-CE2 3.22Å; L241-F572 WeakPolarHBondContact O-CZ 3.31Å; D242-F572 HydrophobicContact CB-CD2 4.05Å; D242-F572 HydrophobicContact CB-CE2 3.96Å; P570-F572 VanDerWaalsContact C-N 3.33Å; F572-P574 HydrophobicContact CD1-CG 4.12Å; F572-P574 HydrophobicContact CE1-CB 4.04Å; F572-P574 HydrophobicContact CE1-CG 3.74Å; F572-P574 HydrophobicContact CZ-CB 4.44Å
573	I	94	Very high	88.8	Confident	63 Å²	63	77.9 Å²	77.9	32%	0.323	42%	0.422	S	S	.	.			trans	-119.9	111.7	170	-57.3	-178.6	0	0	0	107.2	D242 A243 R244 P570 R575	D242-I573 CarbonylContact C-O 3.56Å; D242-I573 VanDerWaalsContact CA-O 3.27Å; D242-I573 WeakPolarHBondContact CA-O 3.37Å; D242-I573 PolarHBondContact OD2-N 3.42Å; A243-I573 HydrophobicContact CB-CB 4.23Å; A243-I573 HydrophobicContact CB-CG2 3.78Å; A243-I573 PolarHBondContact N-O 3.12Å; R244-I573 HydrophobicContact CG-CD1 4.15Å; P570-I573 HydrophobicContact CB-CD1 4.45Å; P570-I573 HydrophobicContact CB-CG1 4.01Å; P570-I573 HydrophobicContact CG-CD1 4.24Å; P570-I573 HydrophobicContact CG-CG1 4.31Å; I573-R575 PolarHBondContact O-N 2.84Å
574	P	93.2	Very high	88.5	Confident	96 Å²	96	79.3 Å²	79.3	62%	0.623	42%	0.423	S	S	*	.	B	Isolated β-bridge	trans	-57	131.7	-179.1	-22.6	31.1	0	0	0	112.1	F572	F572-P574 HydrophobicContact CD1-CG 4.12Å; F572-P574 HydrophobicContact CE1-CB 4.04Å; F572-P574 HydrophobicContact CE1-CG 3.74Å; F572-P574 HydrophobicContact CZ-CB 4.44Å
575	R	92	Very high	88.1	Confident	32 Å²	32	75.7 Å²	75.7	12%	0.121	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-85.4	141.4	172.5	-167.7	164.9	74.3	105.6	2.2	110.7	P240 L241 A243 Y353 Q355 I357 I573 I577	P240-R575 VanDerWaalsContact O-CZ 3.29Å; P240-R575 PolarHBondContact O-NE 3.05Å; P240-R575 PolarHBondContact O-NH2 3.24Å; L241-R575 VanDerWaalsContact O-CB 3.31Å; L241-R575 WeakPolarHBondContact O-CB 3.46Å; L241-R575 PolarHBondContact O-N 3.23Å; A243-R575 HydrophobicContact CB-CB 4.49Å; Y353-R575 PolarHBondContact O-NH2 2.76Å; Q355-R575 VanDerWaalsContact O-CZ 3.29Å; Q355-R575 PolarHBondContact O-NH1 3.44Å; Q355-R575 PolarHBondContact O-NH2 3.02Å; I357-R575 VanDerWaalsContact CG2-CZ 3.45Å; I573-R575 PolarHBondContact O-N 2.84Å; R575-I577 PolarHBondContact O-N 3.39Å
576	D	87.8	Confident	87.8	Confident	151 Å²	151	75.4 Å²	75.4	81%	0.807	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-76.6	118.2	169.1	-170.2	14.2	0	0	0	109.7
577	I	85.5	Confident	87.6	Confident	35 Å²	35	73.9 Å²	73.9	18%	0.179	39%	0.394	C	S	.	.			trans	-107.5	133.7	179.5	-62.7	177.1	0	0	0	107.3	L241 Y353 Q355 R575 P579 E582	L241-I577 HydrophobicContact CD2-CD1 3.37Å; Y353-I577 HydrophobicContact CD1-CD1 4.49Å; Q355-I577 HydrophobicContact CG-CG2 4.28Å; R575-I577 PolarHBondContact O-N 3.39Å; I577-P579 WeakPolarHBondContact O-CD 3.22Å; I577-E582 HydrophobicContact CG2-CB 4.44Å
578	N	82.8	Confident	87.1	Confident	69 Å²	69	68.9 Å²	68.9	37%	0.369	38%	0.375	S	S	.	.			trans	-52.9	110.9	179.1	-177.9	-31.2	0	0	0	110.7	E580 M581 E582	N578-E580 VanDerWaalsContact C-N 3.35Å; N578-E580 PolarHBondContact O-N 3.37Å; N578-E580 WeakPolarHBondContact OD1-CB 3.14Å; N578-E580 PolarHBondContact OD1-N 2.98Å; N578-M581 HydrophobicContact CB-CB 4.24Å; N578-M581 HydrophobicContact CB-CE 3.7Å; N578-M581 HydrophobicContact CB-CG 4.34Å; N578-M581 PolarHBondContact O-N 3.49Å; N578-M581 PolarHBondContact OD1-N 3.02Å; N578-E582 PolarHBondContact O-N 3.48Å
579	P	81.4	Confident	86.5	Confident	80 Å²	80	65.2 Å²	65.2	52%	0.519	35%	0.352	S	S	.	.	H	α-helix	trans	-69.8	-32.9	-172.7	26.6	-34	0	0	0	112.1	I577 E582 N583	I577-P579 WeakPolarHBondContact O-CD 3.22Å; P579-E582 PolarHBondContact O-N 3.41Å; P579-N583 VanDerWaalsContact O-CB 3.22Å; P579-N583 WeakPolarHBondContact O-CB 3.41Å; P579-N583 PolarHBondContact O-N 2.88Å; P579-N583 PolarHBondContact O-ND2 2.98Å; P579-N583 VanDerWaalsContact O-ND2 3.13Å
580	E	82.3	Confident	86	Confident	158 Å²	158	67.4 Å²	67.4	74%	0.738	37%	0.37	S	S	*	.	H	α-helix	trans	-66	-44	179.1	-62	-178.1	171.2	0	0	111.2	N578 N583 R584	N578-E580 VanDerWaalsContact C-N 3.35Å; N578-E580 PolarHBondContact O-N 3.37Å; N578-E580 WeakPolarHBondContact OD1-CB 3.14Å; N578-E580 PolarHBondContact OD1-N 2.98Å; E580-N583 PolarHBondContact O-N 2.94Å; E580-R584 WeakPolarHBondContact O-CB 3.36Å; E580-R584 PolarHBondContact O-N 2.95Å
581	M	74.7	Confident	85.5	Confident	52 Å²	52	67.4 Å²	67.4	26%	0.256	38%	0.376	S	S	.	.	H	α-helix	trans	-66.9	-44.2	176.9	-69.8	-157.4	-63.1	0	0	111.8	Q355 N578 N583 R584 L585	Q355-M581 HydrophobicContact CG-CE 4.47Å; N578-M581 HydrophobicContact CB-CB 4.24Å; N578-M581 HydrophobicContact CB-CE 3.7Å; N578-M581 HydrophobicContact CB-CG 4.34Å; N578-M581 PolarHBondContact O-N 3.49Å; N578-M581 PolarHBondContact OD1-N 3.02Å; M581-N583 VanDerWaalsContact C-N 3.34Å; M581-N583 PolarHBondContact O-N 3.26Å; M581-R584 PolarHBondContact O-N 3.38Å; M581-L585 WeakPolarHBondContact O-CB 3.28Å; M581-L585 PolarHBondContact O-N 3.41Å
582	E	82.8	Confident	84.7	Confident	33 Å²	33	65.5 Å²	65.5	15%	0.154	37%	0.365	C	S	.	.	H	α-helix	trans	-63.3	-40.4	177.3	-172.4	63.2	-166.4	0	0	111.3	R352 Q355 I577 N578 P579 L585 S586	R352-E582 IonicContact CZ-OE1 3.48Å; R352-E582 IonicContact NE-OE1 2.76Å; R352-E582 PolarHBondContact NE-OE1 3.39Å; R352-E582 IonicContact NE-OE2 3.39Å; R352-E582 IonicContact NH2-OE1 3.2Å; R352-E582 PolarHBondContact NH2-OE1 2.95Å; Q355-E582 PolarHBondContact NE2-OE2 3.4Å; I577-E582 HydrophobicContact CG2-CB 4.44Å; N578-E582 PolarHBondContact O-N 3.48Å; P579-E582 PolarHBondContact O-N 3.41Å; E582-L585 PolarHBondContact O-N 2.85Å; E582-S586 WeakPolarHBondContact O-CB 3.38Å; E582-S586 PolarHBondContact O-N 3.41Å; E582-S586 PolarHBondContact O-OG 2.96Å
583	N	85.8	Confident	83.9	Confident	109 Å²	109	66.2 Å²	66.2	58%	0.583	37%	0.369	S	S	*	.	H	α-helix	trans	-63.8	-46.3	176.3	-74.3	-22.7	0	0	0	111.9	P579 E580 M581 L585 S586 A587	P579-N583 VanDerWaalsContact O-CB 3.22Å; P579-N583 WeakPolarHBondContact O-CB 3.41Å; P579-N583 PolarHBondContact O-N 2.88Å; P579-N583 PolarHBondContact O-ND2 2.98Å; P579-N583 VanDerWaalsContact O-ND2 3.13Å; E580-N583 PolarHBondContact O-N 2.94Å; M581-N583 VanDerWaalsContact C-N 3.34Å; M581-N583 PolarHBondContact O-N 3.26Å; N583-L585 PolarHBondContact O-N 3.5Å; N583-S586 PolarHBondContact O-N 3Å; N583-A587 PolarHBondContact O-N 3.48Å
584	R	83.8	Confident	83.3	Confident	118 Å²	118	65.9 Å²	65.9	45%	0.445	38%	0.375	S	S	.	.	H	α-helix	trans	-59.8	-47.3	177.1	-178.4	-177.7	63.3	119	3.6	111.1	D306 E580 M581 A587 V588	D306-R584 VanDerWaalsContact CG-NH2 3.34Å; D306-R584 IonicContact OD1-CZ 2.82Å; D306-R584 IonicContact OD1-NH1 3.77Å; D306-R584 PolarHBondContact OD1-NH1 2.85Å; D306-R584 IonicContact OD1-NH2 3.54Å; D306-R584 PolarHBondContact OD1-NH2 2.87Å; D306-R584 IonicContact OD2-CZ 3.79Å; D306-R584 IonicContact OD2-NH1 3.84Å; D306-R584 PolarHBondContact OD2-NH1 3.37Å; D306-R584 IonicContact OD2-NH2 3.29Å; D306-R584 PolarHBondContact OD2-NH2 3.31Å; E580-R584 WeakPolarHBondContact O-CB 3.36Å; E580-R584 PolarHBondContact O-N 2.95Å; M581-R584 PolarHBondContact O-N 3.38Å; R584-A587 PolarHBondContact O-N 3.48Å; R584-V588 WeakPolarHBondContact O-CG2 3.4Å; R584-V588 PolarHBondContact O-N 3.42Å; R584-V588 VanDerWaalsContact O-N 3.16Å
585	L	80.9	Confident	82.5	Confident	7 Å²	7	63.9 Å²	63.9	4%	0.037	36%	0.358	C	S	.	.	H	α-helix	trans	-70.1	-38.1	-179	-176.7	59.8	0	0	0	111.7	V305 R352 M581 E582 N583 A587 V588 L589	V305-L585 HydrophobicContact CG1-CD1 3.74Å; V305-L585 HydrophobicContact CG1-CD2 3.56Å; V305-L585 HydrophobicContact CG1-CG 4.32Å; R352-L585 HydrophobicContact CB-CD2 3.33Å; R352-L585 HydrophobicContact CG-CD2 4.01Å; M581-L585 WeakPolarHBondContact O-CB 3.28Å; M581-L585 PolarHBondContact O-N 3.41Å; E582-L585 PolarHBondContact O-N 2.85Å; N583-L585 PolarHBondContact O-N 3.5Å; L585-A587 VanDerWaalsContact C-N 3.29Å; L585-A587 PolarHBondContact O-N 2.99Å; L585-V588 WeakPolarHBondContact O-CB 3.47Å; L585-V588 PolarHBondContact O-N 3.46Å; L585-L589 HydrophobicContact CD1-CG 4.33Å; L585-L589 HydrophobicContact CG-CD1 4.13Å; L585-L589 HydrophobicContact CG-CG 4.34Å; L585-L589 WeakPolarHBondContact O-CB 3.25Å; L585-L589 VanDerWaalsContact O-CG 3.26Å; L585-L589 WeakPolarHBondContact O-CG 3.35Å; L585-L589 PolarHBondContact O-N 2.93Å
586	S	84.6	Confident	81.5	Confident	44 Å²	44	63.5 Å²	63.5	31%	0.308	36%	0.364	S	S	.	.	H	α-helix	trans	-59.9	-40.3	174.2	-64	0	0	0	0	111.7	E582 N583 L589 A590	E582-S586 WeakPolarHBondContact O-CB 3.38Å; E582-S586 PolarHBondContact O-N 3.41Å; E582-S586 PolarHBondContact O-OG 2.96Å; N583-S586 PolarHBondContact O-N 3Å; S586-L589 PolarHBondContact O-N 2.92Å; S586-A590 WeakPolarHBondContact O-CB 3.33Å; S586-A590 PolarHBondContact O-N 3.48Å
587	A	85.2	Confident	80.9	Confident	65 Å²	65	65 Å²	65	54%	0.537	36%	0.358	S	S	.	.	H	α-helix	trans	-64.2	-41.8	174.9	0	0	0	0	0	112.4	N583 R584 L585 A591	N583-A587 PolarHBondContact O-N 3.48Å; R584-A587 PolarHBondContact O-N 3.48Å; L585-A587 VanDerWaalsContact C-N 3.29Å; L585-A587 PolarHBondContact O-N 2.99Å; A587-A591 PolarHBondContact O-N 2.82Å; A587-A591 VanDerWaalsContact O-N 3.09Å
588	V	81.9	Confident	80.3	Confident	35 Å²	35	69.9 Å²	69.9	21%	0.212	38%	0.38	C	S	.	.	H	α-helix	trans	-61.7	-47.4	174.1	169.6	0	0	0	0	110.8	R584 L585 A591 R592	R584-V588 WeakPolarHBondContact O-CG2 3.4Å; R584-V588 PolarHBondContact O-N 3.42Å; R584-V588 VanDerWaalsContact O-N 3.16Å; L585-V588 WeakPolarHBondContact O-CB 3.47Å; L585-V588 PolarHBondContact O-N 3.46Å; V588-A591 PolarHBondContact O-N 2.89Å; V588-R592 HydrophobicContact CG1-CG 4.43Å; V588-R592 VanDerWaalsContact O-CG 3.31Å; V588-R592 WeakPolarHBondContact O-CG 3.37Å; V588-R592 PolarHBondContact O-N 2.86Å
589	L	81.7	Confident	79.5	Confident	7 Å²	7	68.9 Å²	68.9	4%	0.037	37%	0.374	C	S	.	.	H	α-helix	trans	-63.6	-42.5	-179.3	-68.6	173.8	0	0	0	111.6	L309 T345 K349 R352 L585 S586 A591 R592 E593	L309-L589 HydrophobicContact CD1-CD2 3.93Å; T345-L589 HydrophobicContact CG2-CD2 3.41Å; T345-L589 VanDerWaalsContact CG2-CD2 3.41Å; K349-L589 HydrophobicContact CB-CD1 4.15Å; K349-L589 HydrophobicContact CB-CD2 4.16Å; R352-L589 VanDerWaalsContact NH1-CD1 3.31Å; L585-L589 HydrophobicContact CD1-CG 4.33Å; L585-L589 HydrophobicContact CG-CD1 4.13Å; L585-L589 HydrophobicContact CG-CG 4.34Å; L585-L589 WeakPolarHBondContact O-CB 3.25Å; L585-L589 VanDerWaalsContact O-CG 3.26Å; L585-L589 WeakPolarHBondContact O-CG 3.35Å; L585-L589 PolarHBondContact O-N 2.93Å; S586-L589 PolarHBondContact O-N 2.92Å; L589-A591 VanDerWaalsContact C-N 3.33Å; L589-A591 PolarHBondContact O-N 3.38Å; L589-R592 PolarHBondContact O-N 2.96Å; L589-R592 VanDerWaalsContact O-N 3.15Å; L589-E593 WeakPolarHBondContact O-CG 3.45Å; L589-E593 PolarHBondContact O-N 3.33Å
590	A	85	Confident	78.8	Confident	57 Å²	57	67.4 Å²	67.4	47%	0.471	37%	0.368	S	S	.	.	H	α-helix	trans	-60.6	-42.4	175.5	0	0	0	0	0	111.9	S586 R592 E593 A594	S586-A590 WeakPolarHBondContact O-CB 3.33Å; S586-A590 PolarHBondContact O-N 3.48Å; A590-R592 VanDerWaalsContact C-N 3.32Å; A590-R592 PolarHBondContact O-N 3.05Å; A590-E593 PolarHBondContact O-N 3.29Å; A590-A594 WeakPolarHBondContact O-CB 3.39Å; A590-A594 PolarHBondContact O-N 3.3Å
591	A	82.3	Confident	78.2	Confident	63 Å²	63	63.1 Å²	63.1	52%	0.521	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-37.8	174.7	0	0	0	0	0	112.3	A587 V588 L589 A594 E595	A587-A591 PolarHBondContact O-N 2.82Å; A587-A591 VanDerWaalsContact O-N 3.09Å; V588-A591 PolarHBondContact O-N 2.89Å; L589-A591 VanDerWaalsContact C-N 3.33Å; L589-A591 PolarHBondContact O-N 3.38Å; A591-A594 PolarHBondContact O-N 3.01Å; A591-E595 PolarHBondContact O-N 2.79Å
592	R	76.3	Confident	77.5	Confident	44 Å²	44	66 Å²	66	17%	0.166	37%	0.372	C	S	.	.	H	α-helix	trans	-71.8	-41	177.3	-69.5	-65.2	-176.2	-148.4	-8.5	113.2	L309 R341 V588 L589 A590 A594 E595 G596	L309-R592 PolarHBondContact O-NE 3.33Å; R341-R592 VanDerWaalsContact NH2-CZ 3.27Å; V588-R592 HydrophobicContact CG1-CG 4.43Å; V588-R592 VanDerWaalsContact O-CG 3.31Å; V588-R592 WeakPolarHBondContact O-CG 3.37Å; V588-R592 PolarHBondContact O-N 2.86Å; L589-R592 PolarHBondContact O-N 2.96Å; L589-R592 VanDerWaalsContact O-N 3.15Å; A590-R592 VanDerWaalsContact C-N 3.32Å; A590-R592 PolarHBondContact O-N 3.05Å; R592-A594 PolarHBondContact O-N 3.43Å; R592-E595 WeakPolarHBondContact CD-OE2 3.47Å; R592-E595 IonicContact CZ-OE2 3.6Å; R592-E595 IonicContact NH1-OE1 3.6Å; R592-E595 IonicContact NH1-OE2 2.72Å; R592-E595 PolarHBondContact NH1-OE2 3.4Å; R592-E595 PolarHBondContact O-N 2.98Å; R592-G596 PolarHBondContact O-N 3.3Å
593	E	78.8	Confident	76.7	Confident	72 Å²	72	72 Å²	72	34%	0.336	40%	0.398	S	S	.	.	H	α-helix	trans	-63.6	-35.5	175.1	-72.8	-179.2	178.6	0	0	110.4	K349 L589 A590 R597	K349-E593 IonicContact NZ-OE1 2.83Å; K349-E593 PolarHBondContact NZ-OE1 3.44Å; K349-E593 VanDerWaalsContact NZ-OE1 3.11Å; L589-E593 WeakPolarHBondContact O-CG 3.45Å; L589-E593 PolarHBondContact O-N 3.33Å; A590-E593 PolarHBondContact O-N 3.29Å; E593-R597 VanDerWaalsContact O-CG 3.29Å; E593-R597 WeakPolarHBondContact O-CG 3.37Å; E593-R597 PolarHBondContact O-N 3.37Å
594	A	79.9	Confident	75.5	Confident	56 Å²	56	73.4 Å²	73.4	46%	0.463	40%	0.401	S	S	.	.	H	α-helix	trans	-66	-47.5	171.8	0	0	0	0	0	112.5	A590 A591 R592 G596 R597 Q598	A590-A594 WeakPolarHBondContact O-CB 3.39Å; A590-A594 PolarHBondContact O-N 3.3Å; A591-A594 PolarHBondContact O-N 3.01Å; R592-A594 PolarHBondContact O-N 3.43Å; A594-G596 VanDerWaalsContact C-N 3.33Å; A594-G596 PolarHBondContact O-N 2.98Å; A594-R597 PolarHBondContact O-N 3.26Å; A594-Q598 WeakPolarHBondContact O-CB 3.4Å; A594-Q598 PolarHBondContact O-N 3.13Å
595	E	77.5	Confident	73.6	Confident	55 Å²	55	73.3 Å²	73.3	26%	0.257	42%	0.416	S	S	.	.	H	α-helix	trans	-59.7	-43	176	-174	-178.1	-158.2	0	0	111.6	I338 A591 R592 Q598 M599	I338-E595 HydrophobicContact CG2-CG 4.27Å; A591-E595 PolarHBondContact O-N 2.79Å; R592-E595 WeakPolarHBondContact CD-OE2 3.47Å; R592-E595 IonicContact CZ-OE2 3.6Å; R592-E595 IonicContact NH1-OE1 3.6Å; R592-E595 IonicContact NH1-OE2 2.72Å; R592-E595 PolarHBondContact NH1-OE2 3.4Å; R592-E595 PolarHBondContact O-N 2.98Å; E595-Q598 PolarHBondContact O-N 2.74Å; E595-M599 WeakPolarHBondContact O-CG 3.42Å; E595-M599 PolarHBondContact O-N 3.32Å
596	G	70.9	Confident	71.9	Confident	24 Å²	24	80.5 Å²	80.5	25%	0.247	45%	0.454	C	S	.	.	H	α-helix	trans	-63.6	-42.3	177.5	0	0	0	0	0	113.1	R592 A594 Q598 M599 A600	R592-G596 PolarHBondContact O-N 3.3Å; A594-G596 VanDerWaalsContact C-N 3.33Å; A594-G596 PolarHBondContact O-N 2.98Å; G596-Q598 VanDerWaalsContact C-N 3.35Å; G596-M599 PolarHBondContact O-N 3.31Å; G596-A600 PolarHBondContact O-N 3.2Å
597	R	75.1	Confident	69.9	Low	183 Å²	183	84.4 Å²	84.4	69%	0.691	48%	0.476	S	S	*	.	H	α-helix	trans	-63.1	-41.4	174	-73.7	176.6	-160.9	-179	7	111.9	E593 A594 M599 A600 S601	E593-R597 VanDerWaalsContact O-CG 3.29Å; E593-R597 WeakPolarHBondContact O-CG 3.37Å; E593-R597 PolarHBondContact O-N 3.37Å; A594-R597 PolarHBondContact O-N 3.26Å; R597-M599 PolarHBondContact O-N 2.89Å; R597-A600 PolarHBondContact O-N 3.35Å; R597-S601 PolarHBondContact O-N 3.44Å; R597-S601 VanDerWaalsContact O-N 3.14Å
598	Q	73.5	Confident	67.8	Low	136 Å²	136	86.5 Å²	86.5	64%	0.636	48%	0.484	S	S	*	.	H	α-helix	trans	-67.4	-26.3	179	-146.2	177.6	8	0	0	112.8	A594 E595 G596 S601	A594-Q598 WeakPolarHBondContact O-CB 3.4Å; A594-Q598 PolarHBondContact O-N 3.13Å; E595-Q598 PolarHBondContact O-N 2.74Å; G596-Q598 VanDerWaalsContact C-N 3.35Å; Q598-S601 PolarHBondContact O-OG 3.43Å
599	M	64.7	Low	65.6	Low	48 Å²	48	93.4 Å²	93.4	24%	0.236	51%	0.514	C	S	.	.	H	α-helix	trans	-81.7	-38.5	171.6	-68.8	-63.2	98.1	0	0	112.3	E595 G596 R597 S601 L602 F603	E595-M599 WeakPolarHBondContact O-CG 3.42Å; E595-M599 PolarHBondContact O-N 3.32Å; G596-M599 PolarHBondContact O-N 3.31Å; R597-M599 PolarHBondContact O-N 2.89Å; M599-S601 PolarHBondContact O-N 3.42Å; M599-L602 HydrophobicContact CE-CD1 3.55Å; M599-L602 VanDerWaalsContact O-CB 3.29Å; M599-L602 WeakPolarHBondContact O-CB 3.28Å; M599-L602 PolarHBondContact O-N 3.33Å; M599-L602 HydrophobicContact SD-CD1 3.74Å; M599-F603 VanDerWaalsContact O-CD2 3.26Å; M599-F603 WeakPolarHBondContact O-CD2 3.19Å
600	A	66.2	Low	63.5	Low	49 Å²	49	99.4 Å²	99.4	41%	0.405	55%	0.551	S	S	.	*	H	α-helix	trans	-58.4	-38.5	176.4	0	0	0	0	0	111.8	G596 R597 L602 F603 E604	G596-A600 PolarHBondContact O-N 3.2Å; R597-A600 PolarHBondContact O-N 3.35Å; A600-L602 PolarHBondContact O-N 2.85Å; A600-L602 VanDerWaalsContact O-N 3.1Å; A600-F603 PolarHBondContact O-N 3.41Å; A600-E604 PolarHBondContact O-N 3.28Å
601	S	71.8	Confident	60.9	Low	68 Å²	68	103.2 Å²	103.2	48%	0.476	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.8	-12.6	174.4	59.9	0	0	0	0	114.5	R597 Q598 M599 F603	R597-S601 PolarHBondContact O-N 3.44Å; R597-S601 VanDerWaalsContact O-N 3.14Å; Q598-S601 PolarHBondContact O-OG 3.43Å; M599-S601 PolarHBondContact O-N 3.42Å; S601-F603 VanDerWaalsContact C-N 3.35Å
602	L	60	Low	58.6	Low	114 Å²	114	105.3 Å²	105.3	60%	0.597	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-13.7	171.7	-61	172.5	0	0	0	112.9	M599 A600	M599-L602 HydrophobicContact CE-CD1 3.55Å; M599-L602 VanDerWaalsContact O-CB 3.29Å; M599-L602 WeakPolarHBondContact O-CB 3.28Å; M599-L602 PolarHBondContact O-N 3.33Å; M599-L602 HydrophobicContact SD-CD1 3.74Å; A600-L602 PolarHBondContact O-N 2.85Å; A600-L602 VanDerWaalsContact O-N 3.1Å
603	F	64.5	Low	56.4	Low	157 Å²	157	106.4 Å²	106.4	69%	0.689	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	-8.2	-178.8	-62.2	-78.7	0	0	0	113.1	M599 A600 S601	M599-F603 VanDerWaalsContact O-CD2 3.26Å; M599-F603 WeakPolarHBondContact O-CD2 3.19Å; A600-F603 PolarHBondContact O-N 3.41Å; S601-F603 VanDerWaalsContact C-N 3.35Å
604	E	60.5	Low	53.9	Low	140 Å²	140	112 Å²	112	65%	0.654	63%	0.63	S	S	*	*	S	Bend	trans	-69.3	123.3	167.5	-72.9	-178.8	173.4	0	0	108.3	A600 D606	A600-E604 PolarHBondContact O-N 3.28Å; E604-D606 PolarHBondContact O-N 3.07Å
605	P	44.4	Very low	51.4	Low	116 Å²	116	116.4 Å²	116.4	75%	0.753	65%	0.645	S	S	*	*			trans	-64.7	130.3	176.4	24.3	-29.8	0	0	0	109.1	V607	P605-V607 PolarHBondContact O-N 2.87Å
606	D	44.9	Very low	49	Very low	157 Å²	157	120.8 Å²	120.8	84%	0.84	68%	0.676	S	S	*	*			trans	-52.1	107.5	172.4	-70.1	-37.1	0	0	0	108.3	E604 P608	E604-D606 PolarHBondContact O-N 3.07Å; D606-P608 WeakPolarHBondContact O-CD 3.4Å
607	V	43.1	Very low	46.9	Very low	126 Å²	126	125.7 Å²	125.7	76%	0.764	70%	0.701	S	S	*	*			trans	-62	121.3	165.7	-179.1	0	0	0	0	104.8	P605 E609	P605-V607 PolarHBondContact O-N 2.87Å; V607-E609 PolarHBondContact O-N 2.94Å
608	P	41.8	Very low	44.3	Very low	110 Å²	110	126 Å²	126	71%	0.714	71%	0.71	S	S	*	*			trans	-59.6	112.8	-177.1	-18	29.1	0	0	0	108	D606 V610	D606-P608 WeakPolarHBondContact O-CD 3.4Å; P608-V610 PolarHBondContact O-N 3.45Å
609	E	35.1	Very low	42	Very low	180 Å²	180	123.7 Å²	123.7	84%	0.841	71%	0.714	S	S	*	*			trans	-53.4	115.8	167.1	-84.1	-176.8	147.9	0	0	106.6	V607 V611	V607-E609 PolarHBondContact O-N 2.94Å; E609-V611 VanDerWaalsContact C-N 3.29Å; E609-V611 PolarHBondContact O-N 2.91Å
610	V	36.8	Very low	40.1	Very low	133 Å²	133	130 Å²	130	81%	0.806	74%	0.743	S	S	*	*			trans	-59.5	102.5	168.6	179.6	0	0	0	0	105.5	P608 S612	P608-V610 PolarHBondContact O-N 3.45Å; V610-S612 PolarHBondContact O-N 3.44Å
611	V	30	Very low	38	Very low	137 Å²	137	136.6 Å²	136.6	83%	0.83	77%	0.766	S	S	*	*			trans	-61.8	87.6	173	-175.6	0	0	0	0	107	E609	E609-V611 VanDerWaalsContact C-N 3.29Å; E609-V611 PolarHBondContact O-N 2.91Å
612	S	33.8	Very low	36.4	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	78%	0.776	S	S	*	*			trans	-83.9	114.6	161.4	49.2	0	0	0	0	106.1	V610	V610-S612 PolarHBondContact O-N 3.44Å
613	G	31.8	Very low	34.7	Very low	67 Å²	67	142.6 Å²	142.6	69%	0.691	79%	0.792	S	S	*	*			trans	-54.8	146.3	-173.3	0	0	0	0	0	113.4	D615	G613-D615 PolarHBondContact O-N 3.44Å
614	E	26.6	Very low	32.6	Very low	190 Å²	190	144 Å²	144	89%	0.888	80%	0.801	S	S	*	*			trans	-41.9	121.9	160.2	-61.5	167.8	140.8	0	0	111.3
615	D	26.8	Very low	31.4	Very low	147 Å²	147	142.5 Å²	142.5	79%	0.786	80%	0.804	S	S	*	*			trans	164.5	91.1	130.3	-88.6	-25.7	0	0	0	109.6	G613	G613-D615 PolarHBondContact O-N 3.44Å
616	V	26.4	Very low	30.5	Very low	148 Å²	148	146.5 Å²	146.5	90%	0.897	81%	0.812	S	S	*	*			trans	-135.2	92.8	153	-173.6	0	0	0	0	108.4
617	T	26.7	Very low	29.2	Very low	127 Å²	127	147.9 Å²	147.9	78%	0.779	81%	0.814	S	S	*	*			trans	-65.4	147.9	160.5	0.2	0	0	0	0	109.9
618	Q	21.5	Very low	28.4	Very low	189 Å²	189	147 Å²	147	88%	0.883	81%	0.81	S	S	*	*			trans	-48.5	140.7	179.2	-65	164.2	-20.1	0	0	114.6
619	A	25	Very low	27.6	Very low	87 Å²	87	150.7 Å²	150.7	72%	0.719	82%	0.818	S	S	*	*				139.7	132.8	118.4	0	0	0	0	0	115
620	E	25	Very low	26.8	Very low	180 Å²	180	150.9 Å²	150.9	84%	0.841	82%	0.819	S	S	*	*			trans	71.5	101.6	148.4	-69.5	177.4	135.1	0	0	122.3
621	Q	22.1	Very low	26.4	Very low	189 Å²	189	149.7 Å²	149.7	88%	0.883	81%	0.814	S	S	*	*				58.7	155.9	122.8	-82.9	-164.3	-3.3	0	0	122.9
622	P	38.4	Very low	26.1	Very low	108 Å²	108	152 Å²	152	70%	0.701	82%	0.816	S	S	*	*			trans	-109.1	157.3	-140.7	39.7	-32.6	0	0	0	115.8
623	Q	23.7	Very low	25.4	Very low	200 Å²	200	156.1 Å²	156.1	94%	0.935	82%	0.823	S	S	*	*			trans	-178.2	132.7	139.9	-102.9	163.3	13.4	0	0	113.5
624	Q	19.7	Very low	25.1	Very low	185 Å²	185	158.3 Å²	158.3	86%	0.864	83%	0.825	S	S	*	*			trans	-72.2	178.3	161.1	-78.4	177.4	-22.4	0	0	111.4
625	P	35.1	Very low	24.8	Very low	110 Å²	110	158.1 Å²	158.1	71%	0.714	82%	0.824	S	S	*	*			cis	-132.8	157.8	-47.7	36.3	-21.2	0	0	0	111.5
626	Q	25.3	Very low	24.6	Very low	199 Å²	199	160 Å²	160	93%	0.93	83%	0.828	S	S	*	*			trans	-156.1	110.2	159.5	-109.4	163.7	32.2	0	0	111.6
627	Q	18.7	Very low	24.4	Very low	187 Å²	187	158.1 Å²	158.1	87%	0.874	82%	0.819	S	S	*	*			trans	-66.2	147.5	148.8	-84.6	175.3	-12.4	0	0	107.9
628	P	26.1	Very low	24.1	Very low	107 Å²	107	160.2 Å²	160.2	70%	0.695	82%	0.82	S	S	*	*				-154.2	171.5	63.2	39.2	-17.5	0	0	0	118.5
629	Q	25.2	Very low	24.1	Very low	187 Å²	187	159.4 Å²	159.4	87%	0.874	82%	0.816	S	S	*	*			trans	84.2	110.3	147.9	-79.7	163.4	3.5	0	0	121.8
630	Q	18.8	Very low	24.4	Very low	185 Å²	185	160.8 Å²	160.8	86%	0.864	82%	0.818	S	S	*	*			trans	-53	166.2	143.3	-73.3	173.6	-16	0	0	111.6
631	P	27.8	Very low	24.2	Very low	108 Å²	108	158.3 Å²	158.3	70%	0.701	82%	0.815	S	S	*	*			cis	-142.3	168.6	20.2	35.9	-14.7	0	0	0	116.5
632	Q	24.6	Very low	24.1	Very low	186 Å²	186	154.4 Å²	154.4	87%	0.869	81%	0.808	S	S	*	*				160.2	125	125.8	-88.4	171	-1.8	0	0	112.7
633	Q	19.2	Very low	23.4	Very low	193 Å²	193	155.4 Å²	155.4	90%	0.902	82%	0.815	S	S	*	*			trans	-67	152.3	160.3	-76.5	172.6	-23	0	0	110.5
634	P	23.7	Very low	23.3	Very low	112 Å²	112	150.5 Å²	150.5	73%	0.727	81%	0.809	S	S	*	*				-145.3	137.8	107.9	29.8	-10.9	0	0	0	116.1
635	Q	22.2	Very low	23.6	Very low	187 Å²	187	149.5 Å²	149.5	87%	0.874	81%	0.808	S	S	*	*			trans	55	124.3	131.8	-68.5	172.9	-16.6	0	0	122.5
636	Q	21	Very low	22.9	Very low	186 Å²	186	151.2 Å²	151.2	87%	0.869	81%	0.811	S	S	*	*			trans	-51.6	155.9	157.6	-71	173	-24.8	0	0	113.2
637	P	23.2	Very low	23	Very low	109 Å²	109	149.5 Å²	149.5	71%	0.708	81%	0.808	S	S	*	*				-148.4	141	105.1	34.2	-16	0	0	0	116.8
638	Q	20.4	Very low	23.2	Very low	171 Å²	171	149.3 Å²	149.3	80%	0.799	81%	0.805	S	S	*	*				65.1	139.2	127.4	-66.6	-178.9	-8.1	0	0	124.5
639	Q	21.5	Very low	23.1	Very low	171 Å²	171	153.8 Å²	153.8	80%	0.799	81%	0.813	S	S	*	*			trans	86.6	157.4	146.8	-81.8	-178.2	9.9	0	0	120.1
640	P	31.8	Very low	23	Very low	116 Å²	116	149.9 Å²	149.9	75%	0.753	81%	0.806	S	S	*	*			cis	-139.8	-176.9	-26.6	35.8	-15.9	0	0	0	115.8
641	V	20.2	Very low	23.2	Very low	129 Å²	129	148.2 Å²	148.2	78%	0.782	80%	0.803	S	S	*	*			trans	-63.9	141.7	-176.2	-163.6	0	0	0	0	116.4
642	S	19.1	Very low	22.9	Very low	106 Å²	106	148.6 Å²	148.6	74%	0.741	81%	0.809	S	S	*	*			trans	25.1	147.2	148	-42.8	0	0	0	0	123.7
643	P	24.7	Very low	22.9	Very low	129 Å²	129	143.1 Å²	143.1	84%	0.838	80%	0.802	S	S	*	*			trans	-125.9	139.6	135.3	33.2	-19.6	0	0	0	113.2
644	A	21.6	Very low	23.1	Very low	98 Å²	98	140.8 Å²	140.8	81%	0.81	80%	0.8	S	S	*	*			trans	-103.8	138.1	168	0	0	0	0	0	109.4
645	I	24.5	Very low	23.1	Very low	163 Å²	163	142.4 Å²	142.4	84%	0.836	80%	0.803	S	S	*	*			trans	-131.6	124.1	165.3	-67	177.4	0	0	0	108.5
646	N	22.1	Very low	23.3	Very low	146 Å²	146	139.6 Å²	139.6	78%	0.781	80%	0.798	S	S	*	*			trans	-86.9	144.8	172.2	-106.6	-30.5	0	0	0	109.3
647	D	27.7	Very low	23.8	Very low	164 Å²	164	136.4 Å²	136.4	88%	0.877	79%	0.793	S	S	*	*			trans	-144.1	143.6	150.2	-101.7	-36.2	0	0	0	112
648	K	22.6	Very low	23.9	Very low	183 Å²	183	136.6 Å²	136.6	80%	0.796	81%	0.805	S	S	*	*			trans	-114.2	163.7	-167.1	-78.7	178.8	170.5	176.5	0	111.8
649	K	22.4	Very low	24.1	Very low	201 Å²	201	131.6 Å²	131.6	87%	0.874	80%	0.798	S	S	*	*			trans	88	140.6	161.8	-64.2	-178.4	174.3	-178.9	0	114.9
650	S	24	Very low	24.3	Very low	104 Å²	104	127.1 Å²	127.1	73%	0.727	80%	0.799	S	S	*	*			cis	-168.7	149.8	19.3	32.3	0	0	0	0	112.3
651	D	23.3	Very low	24.2	Very low	151 Å²	151	129.1 Å²	129.1	81%	0.807	80%	0.801	S	S	*	*			trans	63.9	112.7	141	-78.1	-13.9	0	0	0	125.8
652	S	22.1	Very low	24.4	Very low	116 Å²	116	131.9 Å²	131.9	81%	0.811	81%	0.806	S	S	*	*				69.5	119.9	122.5	73.9	0	0	0	0	122.4
653	G	23.2	Very low	24.8	Very low	70 Å²	70	135.2 Å²	135.2	72%	0.722	81%	0.81	S	S	*	*			trans	151.3	93.7	143.7	0	0	0	0	0	118.2
654	V	24.1	Very low	25	Very low	144 Å²	144	137.8 Å²	137.8	87%	0.873	81%	0.81	S	S	*	*			trans	65.8	97.2	146.5	-166.7	0	0	0	0	118.5
655	N	24	Very low	25.3	Very low	147 Å²	147	141.2 Å²	141.2	79%	0.786	81%	0.814	S	S	*	*				89.6	109.3	82.6	-121.8	10.2	0	0	0	118.2
656	V	25.5	Very low	25.6	Very low	127 Å²	127	142.7 Å²	142.7	77%	0.77	81%	0.814	S	S	*	*			trans	82	137.4	142.5	-170.2	0	0	0	0	119.4
657	P	32.2	Very low	26.1	Very low	119 Å²	119	139.5 Å²	139.5	77%	0.773	80%	0.796	S	S	*	*			trans	-116	157.1	-139.3	41	-29.5	0	0	0	115.2
658	A	25.4	Very low	26.4	Very low	114 Å²	114	138.1 Å²	138.1	94%	0.942	78%	0.782	S	S	*	*			trans	-143.8	74.6	159.1	0	0	0	0	0	108.4
659	G	23.4	Very low	27.3	Very low	65 Å²	65	134.1 Å²	134.1	67%	0.67	78%	0.775	S	S	*	*			trans	-137.3	89.7	177.2	0	0	0	0	0	109	I661	G659-I661 PolarHBondContact O-N 2.94Å
660	G	26.5	Very low	28.3	Very low	78 Å²	78	131.5 Å²	131.5	80%	0.804	77%	0.766	S	S	*	*			trans	-64.7	121.2	164.5	0	0	0	0	0	107.8	E662	G660-E662 PolarHBondContact O-N 3.02Å; G660-E662 VanDerWaalsContact O-N 3.17Å
661	I	29.1	Very low	29.2	Very low	157 Å²	157	131.1 Å²	131.1	81%	0.805	75%	0.752	S	S	*	*			trans	-66.3	111.8	173.4	-64.2	167.5	0	0	0	106.3	G659 Q663	G659-I661 PolarHBondContact O-N 2.94Å; I661-Q663 PolarHBondContact O-N 3.31Å
662	E	25.6	Very low	30	Very low	187 Å²	187	129.2 Å²	129.2	87%	0.874	74%	0.739	S	S	*	*			trans	-57.1	105.8	162.8	-76.9	176.3	155.8	0	0	107	G660 E664	G660-E662 PolarHBondContact O-N 3.02Å; G660-E662 VanDerWaalsContact O-N 3.17Å; E662-E664 PolarHBondContact O-N 3.01Å
663	Q	27.7	Very low	31.1	Very low	177 Å²	177	130.4 Å²	130.4	83%	0.827	73%	0.733	S	S	*	*			trans	-67.5	112.6	161.6	-82.7	-179.7	-25.4	0	0	106.2	I661 L665	I661-Q663 PolarHBondContact O-N 3.31Å; Q663-L665 PolarHBondContact O-N 3.18Å; Q663-L665 VanDerWaalsContact O-N 3.09Å
664	E	28.3	Very low	32.2	Very low	182 Å²	182	135.5 Å²	135.5	85%	0.85	74%	0.738	S	S	*	*			trans	-45.4	119.6	164.7	-77.9	179	148.7	0	0	108.3	E662 K666	E662-E664 PolarHBondContact O-N 3.01Å; E664-K666 VanDerWaalsContact C-N 3.34Å; E664-K666 PolarHBondContact O-N 3.2Å
665	L	28.2	Very low	33.2	Very low	170 Å²	170	136 Å²	136	89%	0.89	73%	0.731	S	S	*	*			trans	-60.9	100.3	172	-85.2	99.1	0	0	0	107.5	Q663 M667	Q663-L665 PolarHBondContact O-N 3.18Å; Q663-L665 VanDerWaalsContact O-N 3.09Å; L665-M667 PolarHBondContact O-N 3.5Å
666	K	30.3	Very low	34.9	Very low	194 Å²	194	135.8 Å²	135.8	84%	0.843	73%	0.725	S	S	*	*			trans	-66.4	113.5	161.2	-73.1	-172.6	174.9	-174.5	0	106.8	E664	E664-K666 VanDerWaalsContact C-N 3.34Å; E664-K666 PolarHBondContact O-N 3.2Å
667	M	31.6	Very low	37.2	Very low	79 Å²	79	134.5 Å²	134.5	39%	0.389	71%	0.714	S	S	.	*			trans	-51.8	144.5	173.4	-77.6	171.9	68.3	0	0	109.5	L665 E671 E672	L665-M667 PolarHBondContact O-N 3.5Å; M667-E671 HydrophobicContact CB-CB 4.38Å; M667-E671 HydrophobicContact CE-CB 3.42Å; M667-E671 VanDerWaalsContact CE-CB 3.42Å; M667-E671 HydrophobicContact CE-CG 4.48Å; M667-E672 HydrophobicContact CB-CG 4.48Å
668	K	35.5	Very low	39.5	Very low	136 Å²	136	130 Å²	130	59%	0.591	68%	0.684	S	S	*	*			trans	-64.3	145.5	175.5	-74.3	177.3	176.6	177.4	0	108.3	E670 E671 E672	K668-E670 PolarHBondContact O-N 2.92Å; K668-E671 PolarHBondContact O-N 3.37Å; K668-E672 PolarHBondContact O-N 3.46Å
669	P	40.3	Very low	42	Very low	99 Å²	99	127.9 Å²	127.9	64%	0.643	66%	0.661	S	S	*	*	H	α-helix	trans	-51.8	-28	-179.8	-25.9	32.8	0	0	0	114	E672 M673	P669-E672 PolarHBondContact O-N 3.33Å; P669-M673 PolarHBondContact O-N 3.03Å
670	E	43.9	Very low	44.7	Very low	145 Å²	145	125.7 Å²	125.7	68%	0.678	64%	0.639	S	S	*	*	H	α-helix	trans	-63.3	-37.3	176.1	-66.4	159.4	178	0	0	112.4	K668	K668-E670 PolarHBondContact O-N 2.92Å
671	E	42	Very low	47.3	Very low	96 Å²	96	123.9 Å²	123.9	45%	0.449	61%	0.61	S	S	.	*	H	α-helix	trans	-80.9	-25.5	179.6	-61.3	176.1	164.7	0	0	112.4	M667 K668	M667-E671 HydrophobicContact CB-CB 4.38Å; M667-E671 HydrophobicContact CE-CB 3.42Å; M667-E671 VanDerWaalsContact CE-CB 3.42Å; M667-E671 HydrophobicContact CE-CG 4.48Å; K668-E671 PolarHBondContact O-N 3.37Å
672	E	42	Very low	49.7	Very low	112 Å²	112	117.7 Å²	117.7	52%	0.523	58%	0.58	S	S	.	*	H	α-helix	trans	-72.2	-30	171.9	-75.1	-175	168.2	0	0	112.3	M667 K668 P669	M667-E672 HydrophobicContact CB-CG 4.48Å; K668-E672 PolarHBondContact O-N 3.46Å; P669-E672 PolarHBondContact O-N 3.33Å
673	M	44.9	Very low	52.1	Low	141 Å²	141	117.9 Å²	117.9	70%	0.695	58%	0.581	S	S	*	*	H	α-helix	trans	-71.3	-33.6	176.3	-84.2	-173.2	59.7	0	0	113.1	P669 Q675	P669-M673 PolarHBondContact O-N 3.03Å; M673-Q675 VanDerWaalsContact C-N 3.34Å; M673-Q675 PolarHBondContact O-N 3.06Å
674	E	46.1	Very low	54.3	Low	176 Å²	176	114.1 Å²	114.1	82%	0.822	58%	0.575	S	S	*	*	H	α-helix	trans	-73.7	-21.3	-177.4	-77.2	-169.8	158.6	0	0	114.1
675	Q	44.5	Very low	56.5	Low	154 Å²	154	107.9 Å²	107.9	72%	0.72	56%	0.56	S	S	*	*	H	α-helix	trans	-94.7	-12.4	-178.2	-67.6	-173.4	13.4	0	0	114.4	M673	M673-Q675 VanDerWaalsContact C-N 3.34Å; M673-Q675 PolarHBondContact O-N 3.06Å
676	Q	60.4	Low	58.5	Low	143 Å²	143	106.4 Å²	106.4	67%	0.668	55%	0.548	S	S	*	.	S	Bend	trans	-82.3	122.6	179.1	-70.3	-180	30.4	0	0	110.5
677	L	73.4	Confident	60.9	Low	101 Å²	101	100.3 Å²	100.3	53%	0.529	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-54	138.5	172.3	-76.4	161.6	0	0	0	109.8
678	P	80.1	Confident	63.3	Low	24 Å²	24	102 Å²	102	16%	0.156	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-51.7	138.3	178.1	-28	34.5	0	0	0	112.1	G680 I681 Y693 W696	P678-G680 PolarHBondContact O-N 3.44Å; P678-I681 HydrophobicContact CB-CD1 3.88Å; P678-I681 HydrophobicContact CB-CG1 4.15Å; P678-I681 HydrophobicContact CG-CD1 3.86Å; P678-I681 PolarHBondContact O-N 3.45Å; P678-Y693 HydrophobicContact CB-CD2 4.01Å; P678-Y693 HydrophobicContact CB-CE2 4.03Å; P678-Y693 HydrophobicContact CG-CE2 4.45Å; P678-W696 HydrophobicContact CB-CD2 3.71Å; P678-W696 HydrophobicContact CB-CE3 3.76Å; P678-W696 HydrophobicContact CB-CG 4.32Å; P678-W696 HydrophobicContact CB-CH2 4.13Å; P678-W696 HydrophobicContact CB-CZ2 4.07Å; P678-W696 HydrophobicContact CB-CZ3 3.97Å; P678-W696 HydrophobicContact CG-CD2 4.3Å; P678-W696 HydrophobicContact CG-CE3 4.14Å; P678-W696 HydrophobicContact CG-CH2 3.63Å; P678-W696 HydrophobicContact CG-CZ2 3.77Å; P678-W696 HydrophobicContact CG-CZ3 3.81Å
679	P	78.7	Confident	65.5	Low	69 Å²	69	99.4 Å²	99.4	45%	0.448	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	129.7	173.7	-22.8	31.8	0	0	0	111	A692 Y693 W696	P679-A692 HydrophobicContact CB-CB 4.35Å; P679-A692 CarbonylContact O-C 3.56Å; P679-Y693 WeakPolarHBondContact O-CA 3.48Å; P679-Y693 PolarHBondContact O-N 3.23Å; P679-W696 HydrophobicContact CG-CG 4.42Å
680	G	80.3	Confident	67.4	Low	20 Å²	20	99.7 Å²	99.7	21%	0.206	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	-4	-177	0	0	0	0	0	115.3	P678 V687 V688 D689	P678-G680 PolarHBondContact O-N 3.44Å; G680-V687 CarbonylContact O-C 3.54Å; G680-V687 WeakPolarHBondContact O-CA 3.47Å; G680-V688 PolarHBondContact O-N 3.39Å; G680-D689 PolarHBondContact O-N 3.39Å
681	I	80.9	Confident	69.2	Low	39 Å²	39	96 Å²	96	20%	0.2	52%	0.523	C	S	.	.	B	Isolated β-bridge	trans	-99.2	131.4	171.8	-58	-171.3	0	0	0	110.4	P678 E686 V687 Y693	P678-I681 HydrophobicContact CB-CD1 3.88Å; P678-I681 HydrophobicContact CB-CG1 4.15Å; P678-I681 HydrophobicContact CG-CD1 3.86Å; P678-I681 PolarHBondContact O-N 3.45Å; I681-E686 WeakPolarHBondContact CA-O 3.21Å; I681-V687 HydrophobicContact CG1-CG2 4.44Å; I681-Y693 HydrophobicContact CD1-CD2 3.89Å; I681-Y693 HydrophobicContact CD1-CE2 3.58Å; I681-Y693 HydrophobicContact CG1-CD2 3.93Å; I681-Y693 HydrophobicContact CG1-CE2 4.15Å
682	S	78.2	Confident	71	Confident	27 Å²	27	93 Å²	93	19%	0.189	51%	0.514	C	S	.	.			trans	-72.8	163.3	172.7	53.8	0	0	0	0	112.5	S684 G685 E686	S682-S684 PolarHBondContact O-N 2.99Å; S682-S684 VanDerWaalsContact O-N 3.1Å; S682-S684 PolarHBondContact OG-OG 3.07Å; S682-S684 VanDerWaalsContact OG-OG 3.12Å; S682-G685 PolarHBondContact O-N 3.02Å; S682-E686 PolarHBondContact N-O 3.43Å; S682-E686 PolarHBondContact OG-N 3.29Å; S682-E686 PolarHBondContact OG-O 3.43Å
683	E	77.4	Confident	72.9	Confident	191 Å²	191	90 Å²	90	89%	0.893	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-25.6	173.2	-69.4	-177.6	170	0	0	113.5	G685	E683-G685 VanDerWaalsContact C-N 3.31Å
684	S	73.2	Confident	74.6	Confident	99 Å²	99	87.9 Å²	87.9	69%	0.692	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.4	174.8	54.4	0	0	0	0	114.3	S682	S682-S684 PolarHBondContact O-N 2.99Å; S682-S684 VanDerWaalsContact O-N 3.1Å; S682-S684 PolarHBondContact OG-OG 3.07Å; S682-S684 VanDerWaalsContact OG-OG 3.12Å
685	G	73.8	Confident	76.1	Confident	51 Å²	51	82 Å²	82	53%	0.526	47%	0.467	S	S	.	.	S	Bend	trans	86.1	9.8	178.3	0	0	0	0	0	115.6	S682 E683	S682-G685 PolarHBondContact O-N 3.02Å; E683-G685 VanDerWaalsContact C-N 3.31Å
686	E	71.6	Confident	78	Confident	138 Å²	138	78.7 Å²	78.7	65%	0.645	45%	0.449	S	S	*	.			trans	-89.5	140.9	175.5	-62.5	-171.1	162.1	0	0	111.5	I681 S682 V688	I681-E686 WeakPolarHBondContact CA-O 3.21Å; S682-E686 PolarHBondContact N-O 3.43Å; S682-E686 PolarHBondContact OG-N 3.29Å; S682-E686 PolarHBondContact OG-O 3.43Å; E686-V688 PolarHBondContact O-N 3.1Å
687	V	79.8	Confident	79	Confident	67 Å²	67	76.3 Å²	76.3	41%	0.406	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-76.6	105.1	175.3	-175.9	0	0	0	0	109.3	G680 I681 M690 Y693	G680-V687 CarbonylContact O-C 3.54Å; G680-V687 WeakPolarHBondContact O-CA 3.47Å; I681-V687 HydrophobicContact CG1-CG2 4.44Å; V687-M690 HydrophobicContact CG1-CB 4.38Å; V687-M690 HydrophobicContact CG1-SD 3.85Å; V687-Y693 HydrophobicContact CG1-CD1 4.38Å; V687-Y693 HydrophobicContact CG1-CG 4.4Å; V687-Y693 HydrophobicContact CG2-CD1 4.22Å; V687-Y693 HydrophobicContact CG2-CE1 4.45Å
688	V	81.8	Confident	79.1	Confident	114 Å²	114	78.3 Å²	78.3	69%	0.691	44%	0.444	S	S	*	.	S	Bend	trans	-88.2	-30.7	178.5	-172.9	0	0	0	0	111.4	G680 E686	G680-V688 PolarHBondContact O-N 3.39Å; E686-V688 PolarHBondContact O-N 3.1Å
689	D	82.3	Confident	78.9	Confident	81 Å²	81	84 Å²	84	43%	0.433	47%	0.469	S	S	.	.			trans	-131.3	99	176.5	-172	-20.9	0	0	0	110.3	G680 A691 A692 Y693	G680-D689 PolarHBondContact O-N 3.39Å; D689-A691 VanDerWaalsContact C-N 3.32Å; D689-A691 PolarHBondContact O-N 2.99Å; D689-A691 PolarHBondContact OD1-N 3.23Å; D689-A691 VanDerWaalsContact OD1-N 3.09Å; D689-A692 HydrophobicContact CB-CB 4.04Å; D689-A692 PolarHBondContact OD1-N 3.17Å; D689-A692 VanDerWaalsContact OD1-N 3.15Å; D689-Y693 PolarHBondContact O-N 3.41Å; D689-Y693 VanDerWaalsContact O-N 3.15Å
690	M	80.6	Confident	78.6	Confident	105 Å²	105	83.6 Å²	83.6	52%	0.517	46%	0.463	S	S	.	.	H	α-helix	trans	-65.4	-33.6	-177.3	-165.8	71.3	-167.8	0	0	112.4	V687 Y693 E694	V687-M690 HydrophobicContact CG1-CB 4.38Å; V687-M690 HydrophobicContact CG1-SD 3.85Å; M690-Y693 PolarHBondContact O-N 3.16Å; M690-E694 HydrophobicContact CE-CG 4.01Å; M690-E694 WeakPolarHBondContact CE-OE1 3.48Å; M690-E694 HydrophobicContact CG-CG 4.39Å; M690-E694 WeakPolarHBondContact O-CB 3.38Å; M690-E694 VanDerWaalsContact O-CG 3.32Å; M690-E694 WeakPolarHBondContact O-CG 3.31Å; M690-E694 PolarHBondContact O-N 2.95Å
691	A	81.1	Confident	78.2	Confident	69 Å²	69	87 Å²	87	57%	0.57	47%	0.473	S	S	*	.	H	α-helix	trans	-72.5	-39.7	-177.7	0	0	0	0	0	111.3	D689 Y693 A695	D689-A691 VanDerWaalsContact C-N 3.32Å; D689-A691 PolarHBondContact O-N 2.99Å; D689-A691 PolarHBondContact OD1-N 3.23Å; D689-A691 VanDerWaalsContact OD1-N 3.09Å; A691-Y693 VanDerWaalsContact C-N 3.34Å; A691-A695 WeakPolarHBondContact O-CB 3.49Å; A691-A695 PolarHBondContact O-N 3.15Å; A691-A695 VanDerWaalsContact O-N 3.09Å
692	A	80.1	Confident	77.2	Confident	31 Å²	31	88.8 Å²	88.8	26%	0.256	49%	0.487	S	S	.	.	H	α-helix	trans	-63.2	-41.7	173	0	0	0	0	0	111.6	P679 D689 W696	P679-A692 HydrophobicContact CB-CB 4.35Å; P679-A692 CarbonylContact O-C 3.56Å; D689-A692 HydrophobicContact CB-CB 4.04Å; D689-A692 PolarHBondContact OD1-N 3.17Å; D689-A692 VanDerWaalsContact OD1-N 3.15Å; A692-W696 WeakPolarHBondContact O-CB 3.49Å; A692-W696 PolarHBondContact O-N 2.98Å
693	Y	81.5	Confident	76.7	Confident	49 Å²	49	91.7 Å²	91.7	19%	0.192	50%	0.5	C	S	.	.	H	α-helix	trans	-68.9	-41.5	179.1	-176.6	-116.8	0	0	0	112.9	P678 P679 I681 V687 D689 M690 A691 W696 Q697	P678-Y693 HydrophobicContact CB-CD2 4.01Å; P678-Y693 HydrophobicContact CB-CE2 4.03Å; P678-Y693 HydrophobicContact CG-CE2 4.45Å; P679-Y693 WeakPolarHBondContact O-CA 3.48Å; P679-Y693 PolarHBondContact O-N 3.23Å; I681-Y693 HydrophobicContact CD1-CD2 3.89Å; I681-Y693 HydrophobicContact CD1-CE2 3.58Å; I681-Y693 HydrophobicContact CG1-CD2 3.93Å; I681-Y693 HydrophobicContact CG1-CE2 4.15Å; V687-Y693 HydrophobicContact CG1-CD1 4.38Å; V687-Y693 HydrophobicContact CG1-CG 4.4Å; V687-Y693 HydrophobicContact CG2-CD1 4.22Å; V687-Y693 HydrophobicContact CG2-CE1 4.45Å; D689-Y693 PolarHBondContact O-N 3.41Å; D689-Y693 VanDerWaalsContact O-N 3.15Å; M690-Y693 PolarHBondContact O-N 3.16Å; A691-Y693 VanDerWaalsContact C-N 3.34Å; Y693-W696 HydrophobicContact CD2-CE3 4.28Å; Y693-W696 HydrophobicContact CE2-CE3 4.01Å; Y693-W696 HydrophobicContact CE2-CZ3 4.15Å; Y693-W696 PolarHBondContact O-N 3.47Å; Y693-Q697 HydrophobicContact CE1-CG 4.13Å; Y693-Q697 VanDerWaalsContact CE1-NE2 3.35Å; Y693-Q697 HydrophobicContact CE2-CG 4.2Å; Y693-Q697 VanDerWaalsContact CZ-NE2 3.28Å; Y693-Q697 WeakPolarHBondContact O-CG 3.38Å; Y693-Q697 PolarHBondContact O-N 3.44Å; Y693-Q697 PolarHBondContact OH-NE2 2.9Å
694	E	80.1	Confident	76.2	Confident	98 Å²	98	85.4 Å²	85.4	46%	0.458	47%	0.473	S	S	.	.	H	α-helix	trans	-64.7	-40.1	176.1	-76.8	178.6	-177.4	0	0	112.3	M690 Q697 Q698	M690-E694 HydrophobicContact CE-CG 4.01Å; M690-E694 WeakPolarHBondContact CE-OE1 3.48Å; M690-E694 HydrophobicContact CG-CG 4.39Å; M690-E694 WeakPolarHBondContact O-CB 3.38Å; M690-E694 VanDerWaalsContact O-CG 3.32Å; M690-E694 WeakPolarHBondContact O-CG 3.31Å; M690-E694 PolarHBondContact O-N 2.95Å; E694-Q697 PolarHBondContact O-N 3.09Å; E694-Q698 WeakPolarHBondContact O-CG 3.38Å; E694-Q698 PolarHBondContact O-N 3.44Å
695	A	78.5	Confident	75.7	Confident	51 Å²	51	86.9 Å²	86.9	42%	0.421	47%	0.468	S	S	.	.	H	α-helix	trans	-62.7	-44.3	174.1	0	0	0	0	0	111.4	A691 Q697 Q698 E699	A691-A695 WeakPolarHBondContact O-CB 3.49Å; A691-A695 PolarHBondContact O-N 3.15Å; A691-A695 VanDerWaalsContact O-N 3.09Å; A695-Q697 PolarHBondContact O-N 3.03Å; A695-Q698 PolarHBondContact O-N 2.89Å; A695-E699 PolarHBondContact O-N 3.34Å; A695-E699 VanDerWaalsContact O-N 3.11Å
696	W	83.5	Confident	75.4	Confident	85 Å²	85	89 Å²	89	32%	0.322	47%	0.465	S	S	.	.	H	α-helix	trans	-63.4	-39.3	175.8	-179.8	88.2	0	0	0	112.6	P678 P679 A692 Y693 Q698 E699 N700	P678-W696 HydrophobicContact CB-CD2 3.71Å; P678-W696 HydrophobicContact CB-CE3 3.76Å; P678-W696 HydrophobicContact CB-CG 4.32Å; P678-W696 HydrophobicContact CB-CH2 4.13Å; P678-W696 HydrophobicContact CB-CZ2 4.07Å; P678-W696 HydrophobicContact CB-CZ3 3.97Å; P678-W696 HydrophobicContact CG-CD2 4.3Å; P678-W696 HydrophobicContact CG-CE3 4.14Å; P678-W696 HydrophobicContact CG-CH2 3.63Å; P678-W696 HydrophobicContact CG-CZ2 3.77Å; P678-W696 HydrophobicContact CG-CZ3 3.81Å; P679-W696 HydrophobicContact CG-CG 4.42Å; A692-W696 WeakPolarHBondContact O-CB 3.49Å; A692-W696 PolarHBondContact O-N 2.98Å; Y693-W696 HydrophobicContact CD2-CE3 4.28Å; Y693-W696 HydrophobicContact CE2-CE3 4.01Å; Y693-W696 HydrophobicContact CE2-CZ3 4.15Å; Y693-W696 PolarHBondContact O-N 3.47Å; W696-Q698 VanDerWaalsContact C-N 3.33Å; W696-Q698 PolarHBondContact O-N 2.92Å; W696-E699 PolarHBondContact O-N 3.14Å; W696-N700 VanDerWaalsContact CD1-ND2 3.3Å; W696-N700 VanDerWaalsContact CE2-ND2 3.29Å; W696-N700 HydrophobicContact CZ2-CB 4.34Å; W696-N700 PolarHBondContact NE1-ND2 2.87Å; W696-N700 VanDerWaalsContact NE1-ND2 3.12Å; W696-N700 WeakPolarHBondContact O-CB 3.46Å; W696-N700 PolarHBondContact O-N 2.88Å; W696-N700 PolarHBondContact O-ND2 2.92Å
697	Q	81.7	Confident	75.2	Confident	93 Å²	93	88 Å²	88	44%	0.435	46%	0.46	S	S	.	.	H	α-helix	trans	-64.4	-36.9	174.9	-80.3	-158.8	-17.7	0	0	112.6	Y693 E694 A695 H701	Y693-Q697 HydrophobicContact CE1-CG 4.13Å; Y693-Q697 VanDerWaalsContact CE1-NE2 3.35Å; Y693-Q697 HydrophobicContact CE2-CG 4.2Å; Y693-Q697 VanDerWaalsContact CZ-NE2 3.28Å; Y693-Q697 WeakPolarHBondContact O-CG 3.38Å; Y693-Q697 PolarHBondContact O-N 3.44Å; Y693-Q697 PolarHBondContact OH-NE2 2.9Å; E694-Q697 PolarHBondContact O-N 3.09Å; A695-Q697 PolarHBondContact O-N 3.03Å; Q697-H701 PolarHBondContact O-N 3.2Å; Q697-H701 VanDerWaalsContact O-N 3.13Å
698	Q	76.4	Confident	74.4	Confident	143 Å²	143	90.5 Å²	90.5	67%	0.668	47%	0.469	S	S	*	.	H	α-helix	trans	-67.4	-38.6	176.5	-75.4	-177.7	16.6	0	0	111.8	E694 A695 W696 I704	E694-Q698 WeakPolarHBondContact O-CG 3.38Å; E694-Q698 PolarHBondContact O-N 3.44Å; A695-Q698 PolarHBondContact O-N 2.89Å; W696-Q698 VanDerWaalsContact C-N 3.33Å; W696-Q698 PolarHBondContact O-N 2.92Å; Q698-I704 WeakPolarHBondContact O-CD1 3.17Å
699	E	74.4	Confident	73.6	Confident	145 Å²	145	90.8 Å²	90.8	68%	0.678	46%	0.462	S	S	*	.	H	α-helix	trans	-72.5	-35.8	177.5	-72.7	-175.2	167.3	0	0	113.1	A695 W696	A695-E699 PolarHBondContact O-N 3.34Å; A695-E699 VanDerWaalsContact O-N 3.11Å; W696-E699 PolarHBondContact O-N 3.14Å
700	N	72.7	Confident	72.9	Confident	59 Å²	59	94.1 Å²	94.1	32%	0.316	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	14.3	-178.2	-67.8	-80.9	0	0	0	113.8	W696	W696-N700 VanDerWaalsContact CD1-ND2 3.3Å; W696-N700 VanDerWaalsContact CE2-ND2 3.29Å; W696-N700 HydrophobicContact CZ2-CB 4.34Å; W696-N700 PolarHBondContact NE1-ND2 2.87Å; W696-N700 VanDerWaalsContact NE1-ND2 3.12Å; W696-N700 WeakPolarHBondContact O-CB 3.46Å; W696-N700 PolarHBondContact O-N 2.88Å; W696-N700 PolarHBondContact O-ND2 2.92Å
701	H	72.3	Confident	71.9	Confident	92 Å²	92	98.3 Å²	98.3	43%	0.426	48%	0.479	S	S	.	.			trans	-61.1	132	177.7	-161.8	-87.4	0	0	0	109.9	Q697 D703 I704	Q697-H701 PolarHBondContact O-N 3.2Å; Q697-H701 VanDerWaalsContact O-N 3.13Å; H701-D703 IonicContact CE1-OD2 3.4Å; H701-D703 PolarHBondContact CE1-OD2 3.23Å; H701-D703 IonicContact ND1-OD2 2.67Å; H701-D703 PolarHBondContact ND1-OD2 2.99Å; H701-D703 PolarHBondContact O-N 2.88Å; H701-I704 WeakPolarHBondContact O-CB 3.42Å; H701-I704 PolarHBondContact O-N 2.76Å
702	P	60.5	Low	70.8	Confident	76 Å²	76	101.1 Å²	101.1	49%	0.494	48%	0.48	S	S	.	.	H	α-helix	trans	-58.3	-26	-172.2	16.7	-29.7	0	0	0	114.2	I704 Q705 Q706	P702-I704 VanDerWaalsContact C-N 3.27Å; P702-I704 PolarHBondContact O-N 3.05Å; P702-Q705 PolarHBondContact O-N 2.84Å; P702-Q706 WeakPolarHBondContact O-CG 3.39Å; P702-Q706 PolarHBondContact O-N 3.46Å; P702-Q706 VanDerWaalsContact O-N 3.11Å
703	D	67	Low	69.9	Low	88 Å²	88	105.3 Å²	105.3	47%	0.471	49%	0.494	S	S	.	.	H	α-helix	trans	-63.7	-29.6	173.7	-71.5	-31.2	0	0	0	113.2	H701 Q707	H701-D703 IonicContact CE1-OD2 3.4Å; H701-D703 PolarHBondContact CE1-OD2 3.23Å; H701-D703 IonicContact ND1-OD2 2.67Å; H701-D703 PolarHBondContact ND1-OD2 2.99Å; H701-D703 PolarHBondContact O-N 2.88Å; D703-Q707 WeakPolarHBondContact O-CB 3.32Å; D703-Q707 VanDerWaalsContact O-CG 3.27Å; D703-Q707 WeakPolarHBondContact O-CG 3.32Å; D703-Q707 PolarHBondContact O-N 2.81Å
704	I	67.3	Low	68.7	Low	60 Å²	60	107.6 Å²	107.6	31%	0.308	51%	0.513	S	S	.	.	H	α-helix	trans	-73.8	-43.7	178.4	-61.8	-178.3	0	0	0	110.4	Q698 H701 P702 Q706 Q707 M708	Q698-I704 WeakPolarHBondContact O-CD1 3.17Å; H701-I704 WeakPolarHBondContact O-CB 3.42Å; H701-I704 PolarHBondContact O-N 2.76Å; P702-I704 VanDerWaalsContact C-N 3.27Å; P702-I704 PolarHBondContact O-N 3.05Å; I704-Q706 VanDerWaalsContact C-N 3.33Å; I704-Q706 PolarHBondContact O-N 2.92Å; I704-Q707 CarbonylContact O-C 3.5Å; I704-Q707 PolarHBondContact O-N 3.03Å; I704-Q707 VanDerWaalsContact O-N 3.12Å; I704-M708 HydrophobicContact CG2-CE 4.07Å; I704-M708 HydrophobicContact CG2-CG 4.49Å; I704-M708 WeakPolarHBondContact O-CG 3.47Å; I704-M708 PolarHBondContact O-N 3.4Å
705	Q	63.4	Low	67.2	Low	129 Å²	129	108.6 Å²	108.6	60%	0.603	52%	0.522	S	S	*	.	H	α-helix	trans	-59.9	-43.5	173.6	-85.5	-176.1	-18.5	0	0	111.5	P702 Q707 M708 Q709	P702-Q705 PolarHBondContact O-N 2.84Å; Q705-Q707 VanDerWaalsContact C-N 3.3Å; Q705-Q707 PolarHBondContact O-N 3.32Å; Q705-M708 PolarHBondContact O-N 2.84Å; Q705-Q709 PolarHBondContact O-N 3.09Å
706	Q	66.3	Low	65.8	Low	96 Å²	96	112.7 Å²	112.7	45%	0.449	54%	0.535	S	S	.	.	H	α-helix	trans	-64.9	-32.3	175	-72.2	-174.8	10.5	0	0	113	P702 I704 R710	P702-Q706 WeakPolarHBondContact O-CG 3.39Å; P702-Q706 PolarHBondContact O-N 3.46Å; P702-Q706 VanDerWaalsContact O-N 3.11Å; I704-Q706 VanDerWaalsContact C-N 3.33Å; I704-Q706 PolarHBondContact O-N 2.92Å; Q706-R710 WeakPolarHBondContact O-CB 3.33Å; Q706-R710 WeakPolarHBondContact O-CG 3.29Å; Q706-R710 PolarHBondContact O-N 2.86Å
707	Q	68.4	Low	63.7	Low	118 Å²	118	114.7 Å²	114.7	55%	0.551	55%	0.552	S	S	*	*	H	α-helix	trans	-73.8	-36.1	173.7	-79.2	-178.8	25.5	0	0	112.5	D703 I704 Q705 R710 R711	D703-Q707 WeakPolarHBondContact O-CB 3.32Å; D703-Q707 VanDerWaalsContact O-CG 3.27Å; D703-Q707 WeakPolarHBondContact O-CG 3.32Å; D703-Q707 PolarHBondContact O-N 2.81Å; I704-Q707 CarbonylContact O-C 3.5Å; I704-Q707 PolarHBondContact O-N 3.03Å; I704-Q707 VanDerWaalsContact O-N 3.12Å; Q705-Q707 VanDerWaalsContact C-N 3.3Å; Q705-Q707 PolarHBondContact O-N 3.32Å; Q707-R710 PolarHBondContact O-N 2.81Å; Q707-R711 WeakPolarHBondContact O-CB 3.48Å; Q707-R711 WeakPolarHBondContact O-CG 3.39Å; Q707-R711 PolarHBondContact O-N 3.1Å
708	M	63	Low	61.5	Low	118 Å²	118	114.8 Å²	114.8	58%	0.581	56%	0.559	S	S	*	*	H	α-helix	trans	-66.1	-48.3	173.5	-76.7	-171.2	-178.6	0	0	110.9	I704 Q705 R710 R711 E712	I704-M708 HydrophobicContact CG2-CE 4.07Å; I704-M708 HydrophobicContact CG2-CG 4.49Å; I704-M708 WeakPolarHBondContact O-CG 3.47Å; I704-M708 PolarHBondContact O-N 3.4Å; Q705-M708 PolarHBondContact O-N 2.84Å; M708-R710 VanDerWaalsContact C-N 3.32Å; M708-R710 PolarHBondContact O-N 2.98Å; M708-R711 CarbonylContact O-C 3.56Å; M708-R711 WeakPolarHBondContact O-CA 3.15Å; M708-R711 WeakPolarHBondContact O-CB 3.27Å; M708-R711 PolarHBondContact O-N 3.01Å; M708-E712 PolarHBondContact O-N 3.08Å
709	Q	63.9	Low	59.4	Low	120 Å²	120	116.2 Å²	116.2	56%	0.561	57%	0.566	S	S	*	*	H	α-helix	trans	-56.3	-46.1	172.6	-85.6	-177.5	-16.6	0	0	111.3	Q705 R711 E712 E713	Q705-Q709 PolarHBondContact O-N 3.09Å; Q709-R711 VanDerWaalsContact C-N 3.3Å; Q709-R711 PolarHBondContact O-N 3.13Å; Q709-E712 PolarHBondContact O-N 3.41Å; Q709-E713 WeakPolarHBondContact O-CB 3.46Å; Q709-E713 WeakPolarHBondContact O-CG 3.44Å; Q709-E713 PolarHBondContact O-N 3.38Å
710	R	68.2	Low	57.5	Low	151 Å²	151	120.9 Å²	120.9	57%	0.57	58%	0.577	S	S	*	*	H	α-helix	trans	-61.2	-36.6	174.4	-86.2	-172	-99.6	-168.4	-9.5	112.9	Q706 Q707 M708 V714	Q706-R710 WeakPolarHBondContact O-CB 3.33Å; Q706-R710 WeakPolarHBondContact O-CG 3.29Å; Q706-R710 PolarHBondContact O-N 2.86Å; Q707-R710 PolarHBondContact O-N 2.81Å; M708-R710 VanDerWaalsContact C-N 3.32Å; M708-R710 PolarHBondContact O-N 2.98Å; R710-V714 WeakPolarHBondContact O-CB 3.12Å; R710-V714 WeakPolarHBondContact O-CG2 3.45Å; R710-V714 PolarHBondContact O-N 3.44Å
711	R	60	Low	55.5	Low	193 Å²	193	127 Å²	127	73%	0.728	60%	0.603	S	S	*	*	H	α-helix	trans	-69.4	-38.6	174.9	-83.9	-175.7	174.7	-160.4	0.8	112.2	Q707 M708 Q709 V714 N715	Q707-R711 WeakPolarHBondContact O-CB 3.48Å; Q707-R711 WeakPolarHBondContact O-CG 3.39Å; Q707-R711 PolarHBondContact O-N 3.1Å; M708-R711 CarbonylContact O-C 3.56Å; M708-R711 WeakPolarHBondContact O-CA 3.15Å; M708-R711 WeakPolarHBondContact O-CB 3.27Å; M708-R711 PolarHBondContact O-N 3.01Å; Q709-R711 VanDerWaalsContact C-N 3.3Å; Q709-R711 PolarHBondContact O-N 3.13Å; R711-V714 PolarHBondContact O-N 3.31Å; R711-N715 WeakPolarHBondContact O-CB 3.4Å; R711-N715 PolarHBondContact O-N 3.48Å
712	E	59	Low	53.6	Low	129 Å²	129	134.3 Å²	134.3	60%	0.603	63%	0.627	S	S	*	*	H	α-helix	trans	-67.9	-44.7	176.1	-73.7	-173.9	164.2	0	0	111.4	M708 Q709 V714 N715 I716	M708-E712 PolarHBondContact O-N 3.08Å; Q709-E712 PolarHBondContact O-N 3.41Å; E712-V714 VanDerWaalsContact C-N 3.26Å; E712-V714 PolarHBondContact O-N 2.96Å; E712-N715 PolarHBondContact O-N 3.02Å; E712-N715 VanDerWaalsContact O-N 3.09Å; E712-I716 VanDerWaalsContact O-CG1 3.27Å; E712-I716 WeakPolarHBondContact O-CG1 3.12Å; E712-I716 PolarHBondContact O-N 2.98Å
713	E	60.8	Low	52.3	Low	118 Å²	118	133 Å²	133	55%	0.551	63%	0.628	S	S	*	*	H	α-helix	trans	-59.1	-37.4	172.7	-73.4	179.2	173.6	0	0	111.9	Q709 N717	Q709-E713 WeakPolarHBondContact O-CB 3.46Å; Q709-E713 WeakPolarHBondContact O-CG 3.44Å; Q709-E713 PolarHBondContact O-N 3.38Å; E713-N717 PolarHBondContact O-N 2.91Å; E713-N717 PolarHBondContact O-ND2 3.5Å
714	V	54.9	Low	50.8	Low	97 Å²	97	137.9 Å²	137.9	59%	0.588	65%	0.648	S	S	*	*	H	α-helix	trans	-71.4	-37.4	174.6	173.6	0	0	0	0	111.4	R710 R711 E712 N717 V718	R710-V714 WeakPolarHBondContact O-CB 3.12Å; R710-V714 WeakPolarHBondContact O-CG2 3.45Å; R710-V714 PolarHBondContact O-N 3.44Å; R711-V714 PolarHBondContact O-N 3.31Å; E712-V714 VanDerWaalsContact C-N 3.26Å; E712-V714 PolarHBondContact O-N 2.96Å; V714-N717 PolarHBondContact O-N 3.31Å; V714-V718 PolarHBondContact O-N 2.89Å
715	N	49.3	Very low	49.5	Very low	120 Å²	120	142.5 Å²	142.5	64%	0.642	67%	0.673	S	S	*	*	H	α-helix	trans	-72.2	-34.3	177.7	-97.1	-8.8	0	0	0	113.2	R711 E712 N717 V718	R711-N715 WeakPolarHBondContact O-CB 3.4Å; R711-N715 PolarHBondContact O-N 3.48Å; E712-N715 PolarHBondContact O-N 3.02Å; E712-N715 VanDerWaalsContact O-N 3.09Å; N715-N717 PolarHBondContact O-N 3.21Å; N715-V718 PolarHBondContact O-N 3.24Å
716	I	49.2	Very low	48.4	Very low	136 Å²	136	142.4 Å²	142.4	70%	0.697	68%	0.681	S	S	*	*	H	α-helix	trans	-62.7	-29.4	172.4	-67.1	164	0	0	0	110.3	E712	E712-I716 VanDerWaalsContact O-CG1 3.27Å; E712-I716 WeakPolarHBondContact O-CG1 3.12Å; E712-I716 PolarHBondContact O-N 2.98Å
717	N	38.8	Very low	47.3	Very low	128 Å²	128	145.5 Å²	145.5	68%	0.684	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	2	178.3	-74.2	-34.5	0	0	0	114.7	E713 V714 N715 H719	E713-N717 PolarHBondContact O-N 2.91Å; E713-N717 PolarHBondContact O-ND2 3.5Å; V714-N717 PolarHBondContact O-N 3.31Å; N715-N717 PolarHBondContact O-N 3.21Å; N717-H719 PolarHBondContact O-N 2.9Å
718	V	35.8	Very low	45.6	Very low	95 Å²	95	146.5 Å²	146.5	58%	0.576	71%	0.713	S	S	*	*	S	Bend	trans	-80.7	103	169.5	-175.9	0	0	0	0	108.5	V714 N715 R720	V714-V718 PolarHBondContact O-N 2.89Å; N715-V718 PolarHBondContact O-N 3.24Å; V718-R720 PolarHBondContact O-N 3.2Å; V718-R720 VanDerWaalsContact O-N 3.11Å
719	H	33.3	Very low	44.7	Very low	173 Å²	173	143.4 Å²	143.4	80%	0.801	71%	0.711	S	S	*	*			trans	-21.9	105.3	172.2	-69.4	-77.9	0	0	0	114.5	N717 E721	N717-H719 PolarHBondContact O-N 2.9Å; H719-E721 VanDerWaalsContact C-N 3.29Å; H719-E721 PolarHBondContact O-N 3.21Å
720	R	32.9	Very low	43.8	Very low	243 Å²	243	144.7 Å²	144.7	92%	0.917	72%	0.722	S	S	*	*			trans	-63.8	100.6	147.7	-86.3	-178.2	172.9	172	-1.9	106.1	V718 R722	V718-R720 PolarHBondContact O-N 3.2Å; V718-R720 VanDerWaalsContact O-N 3.11Å; R720-R722 PolarHBondContact O-N 2.99Å
721	E	32.2	Very low	42.8	Very low	186 Å²	186	145.4 Å²	145.4	87%	0.869	74%	0.737	S	S	*	*			trans	-49.6	107.3	158.5	-72.5	-178.3	161.5	0	0	106.6	H719 G723	H719-E721 VanDerWaalsContact C-N 3.29Å; H719-E721 PolarHBondContact O-N 3.21Å; E721-G723 PolarHBondContact O-N 3.44Å
722	R	31.6	Very low	42.2	Very low	246 Å²	246	149 Å²	149	93%	0.928	76%	0.758	S	S	*	*			trans	-66.9	90.3	167.7	-88.1	-176.7	172.4	-176.2	-4	106.1	R720	R720-R722 PolarHBondContact O-N 2.99Å
723	G	33.4	Very low	41.4	Very low	50 Å²	50	150.1 Å²	150.1	52%	0.515	77%	0.766	S	S	.	*			trans	-53.2	141.6	149.7	0	0	0	0	0	108.3	E721 D725	E721-G723 PolarHBondContact O-N 3.44Å; G723-D725 VanDerWaalsContact C-N 3.28Å; G723-D725 PolarHBondContact O-N 2.9Å
724	E	35	Very low	40.4	Very low	189 Å²	189	151.7 Å²	151.7	88%	0.883	78%	0.777	S	S	*	*			trans	-61	84.2	-179.7	-64.1	169.9	152.3	0	0	110.4	V726	E724-V726 VanDerWaalsContact C-N 3.34Å; E724-V726 PolarHBondContact O-N 3.06Å; E724-V726 VanDerWaalsContact O-N 3.13Å
725	D	40.2	Very low	39.6	Very low	157 Å²	157	154.8 Å²	154.8	84%	0.84	79%	0.788	S	S	*	*			trans	-81.1	90.1	167.6	-72	-30.3	0	0	0	107.6	G723 E727	G723-D725 VanDerWaalsContact C-N 3.28Å; G723-D725 PolarHBondContact O-N 2.9Å; D725-E727 PolarHBondContact O-N 3.41Å
726	V	40.3	Very low	39	Very low	127 Å²	127	156.8 Å²	156.8	77%	0.77	80%	0.797	S	S	*	*			trans	-48.6	119.1	170	176.6	0	0	0	0	109.3	E724	E724-V726 VanDerWaalsContact C-N 3.34Å; E724-V726 PolarHBondContact O-N 3.06Å; E724-V726 VanDerWaalsContact O-N 3.13Å
727	E	42.8	Very low	38.4	Very low	161 Å²	161	158.1 Å²	158.1	75%	0.752	80%	0.803	S	S	*	*			trans	-66.3	136.3	174.6	-78.7	-174	165.1	0	0	110	D725 G729	D725-E727 PolarHBondContact O-N 3.41Å; E727-G729 PolarHBondContact O-N 3.43Å
728	P	34.1	Very low	38.3	Very low	140 Å²	140	160.1 Å²	160.1	91%	0.909	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	99.6	-179	24.3	-26.5	0	0	0	110.2
729	G	43	Very low	38.5	Very low	53 Å²	53	164.8 Å²	164.8	55%	0.546	83%	0.827	S	S	.	*	T	Hydrogen-bonded Turn	trans	168.4	-16.3	176.1	0	0	0	0	0	117.3	E727 D731	E727-G729 PolarHBondContact O-N 3.43Å; G729-D731 PolarHBondContact O-N 2.95Å
730	D	46	Very low	38.9	Very low	147 Å²	147	164.2 Å²	164.2	79%	0.786	83%	0.829	S	S	*	*	S	Bend	trans	-89.5	12.5	-168.7	-86.6	-6.8	0	0	0	116.7
731	D	45.4	Very low	39.4	Very low	165 Å²	165	157.6 Å²	157.6	88%	0.882	82%	0.822	S	S	*	*			trans	-125.2	50.1	175	-87.2	-26.4	0	0	0	113.6	G729	G729-D731 PolarHBondContact O-N 2.95Å
732	F	49.1	Very low	40.1	Very low	270 Å²	270	155 Å²	155	100%	1.184	82%	0.818	S	S	*	*			trans	-129.6	0	158.9	-75.8	-77.6	0	0	0	110.1

Retrieved 732 of 732 residues in 624.7 ms (Link to these results)

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