A0A3Q0KR76_SCHMA Loading...

Reticulocalbin-3

Probable molecular chaperone assisting protein biosynthesis and transport in the endoplasmic reticulum. Required for the proper biosynthesis and transport of pulmonary surfactant-associated protein A/SP-A, pulmonary surfactant-associated protein D/SP-D and the lipid transporter ABCA3. By regulating both the proper expression and the degradation through the endoplasmic reticulum-associated protein degradation pathway of these proteins plays a crucial role in pulmonary surfactant homeostasis. Has an anti-fibrotic activity by negatively regulating the secretion of type I and type III collagens. This calcium-binding protein also transiently associates with immature PCSK6 and regulates its secretion.

AlphaFold DB , UniProt , Accession A0A3Q0KR76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 332 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	36.6	Very low	38.4	Very low	240 Å²	240	125.5 Å²	125.5	100%	1.182	64%	0.643	S	S	*	*				0	100.4	0	-70.5	-160.6	-164.7	0	0	106.9	S3	M1-S3 PolarHBondContact O-N 2.87Å
2	L	38.2	Very low	37.7	Very low	170 Å²	170	126.1 Å²	126.1	89%	0.89	64%	0.641	S	S	*	*			trans	-61.3	105.2	170.2	-81.3	144.2	0	0	0	105.9
3	S	36.9	Very low	37.4	Very low	70 Å²	70	126.5 Å²	126.5	49%	0.49	64%	0.644	S	S	.	*			trans	-65	141	-170.3	90.8	0	0	0	0	108.7	M1 H5 Y6	M1-S3 PolarHBondContact O-N 2.87Å; S3-H5 PolarHBondContact O-N 2.79Å; S3-H5 PolarHBondContact OG-ND1 2.78Å; S3-Y6 PolarHBondContact O-N 2.93Å
4	L	42.2	Very low	36.9	Very low	130 Å²	130	124.4 Å²	124.4	68%	0.681	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-40.1	-18.2	176.8	-159	67.5	0	0	0	115.3	Y6 L7 I8	L4-Y6 VanDerWaalsContact C-N 3.34Å; L4-Y6 PolarHBondContact O-N 2.82Å; L4-L7 PolarHBondContact O-N 3.27Å; L4-I8 PolarHBondContact O-N 3.04Å
5	H	43.3	Very low	36.5	Very low	135 Å²	135	121.3 Å²	121.3	63%	0.625	63%	0.629	S	S	*	*	H	α-helix	trans	-60.7	-32.8	172.9	-61.9	89.5	0	0	0	114.2	S3 L7 I8 S9	S3-H5 PolarHBondContact O-N 2.79Å; S3-H5 PolarHBondContact OG-ND1 2.78Å; H5-L7 VanDerWaalsContact C-N 3.29Å; H5-L7 PolarHBondContact O-N 3.38Å; H5-I8 PolarHBondContact O-N 3.24Å; H5-S9 PolarHBondContact O-N 2.94Å; H5-S9 PolarHBondContact O-OG 3.37Å
6	Y	41.2	Very low	36.3	Very low	166 Å²	166	118.6 Å²	118.6	65%	0.651	62%	0.622	S	S	*	*	H	α-helix	trans	-72	-26.5	178.6	-152.5	-95.3	0	0	0	112.3	S3 L4 I10	S3-Y6 PolarHBondContact O-N 2.93Å; L4-Y6 VanDerWaalsContact C-N 3.34Å; L4-Y6 PolarHBondContact O-N 2.82Å; Y6-I10 HydrophobicContact CD1-CD1 4.1Å; Y6-I10 HydrophobicContact CE1-CD1 4.11Å; Y6-I10 PolarHBondContact O-N 3.36Å
7	L	36.5	Very low	36.2	Very low	111 Å²	111	116.4 Å²	116.4	58%	0.581	62%	0.619	S	S	*	*	H	α-helix	trans	-78.3	-28.6	175	-105.9	150.2	0	0	0	112.4	L4 H5 L11	L4-L7 PolarHBondContact O-N 3.27Å; H5-L7 VanDerWaalsContact C-N 3.29Å; H5-L7 PolarHBondContact O-N 3.38Å; L7-L11 PolarHBondContact O-N 3.25Å
8	I	41.8	Very low	36.1	Very low	89 Å²	89	113.5 Å²	113.5	46%	0.456	61%	0.61	S	S	.	*	H	α-helix	trans	-72.8	-35.3	174.3	-63.6	170.5	0	0	0	110.8	L4 H5 I10 L11 Q12	L4-I8 PolarHBondContact O-N 3.04Å; H5-I8 PolarHBondContact O-N 3.24Å; I8-I10 VanDerWaalsContact C-N 3.34Å; I8-I10 PolarHBondContact O-N 3.26Å; I8-L11 PolarHBondContact O-N 2.71Å; I8-Q12 PolarHBondContact O-N 2.84Å
9	S	37.5	Very low	35.9	Very low	67 Å²	67	111.5 Å²	111.5	47%	0.469	60%	0.599	S	S	.	*	H	α-helix	trans	-67.1	-33.9	174.3	-59.9	0	0	0	0	112.8	H5 I13	H5-S9 PolarHBondContact O-N 2.94Å; H5-S9 PolarHBondContact O-OG 3.37Å; S9-I13 WeakPolarHBondContact O-CD1 3.43Å; S9-I13 VanDerWaalsContact O-CG1 3.31Å; S9-I13 WeakPolarHBondContact O-CG1 3.5Å; S9-I13 PolarHBondContact O-N 3.3Å
10	I	37.9	Very low	36.2	Very low	88 Å²	88	112.6 Å²	112.6	45%	0.451	60%	0.598	S	S	.	*	H	α-helix	trans	-73.1	-36.8	172.6	-63.4	172.6	0	0	0	110.5	Y6 I8 Q12 I13 V14	Y6-I10 HydrophobicContact CD1-CD1 4.1Å; Y6-I10 HydrophobicContact CE1-CD1 4.11Å; Y6-I10 PolarHBondContact O-N 3.36Å; I8-I10 VanDerWaalsContact C-N 3.34Å; I8-I10 PolarHBondContact O-N 3.26Å; I10-Q12 PolarHBondContact O-N 3.14Å; I10-I13 PolarHBondContact O-N 3.11Å; I10-V14 HydrophobicContact CG2-CG2 4.48Å; I10-V14 VanDerWaalsContact O-CG2 3.3Å; I10-V14 WeakPolarHBondContact O-CG2 3.47Å; I10-V14 PolarHBondContact O-N 2.9Å
11	L	30.8	Very low	36	Very low	114 Å²	114	113.7 Å²	113.7	60%	0.597	61%	0.605	S	S	*	*	H	α-helix	trans	-67.2	-32.7	175.6	-115.5	94.9	0	0	0	113.4	L7 I8 V14 T15	L7-L11 PolarHBondContact O-N 3.25Å; I8-L11 PolarHBondContact O-N 2.71Å; L11-V14 PolarHBondContact O-N 3.26Å; L11-T15 PolarHBondContact O-N 3.49Å
12	Q	29.6	Very low	35.7	Very low	133 Å²	133	105.7 Å²	105.7	62%	0.621	57%	0.566	S	S	*	*	H	α-helix	trans	-76.2	-27	176.1	-74.5	-163.6	-71.6	0	0	113.3	I8 I10 T15	I8-Q12 PolarHBondContact O-N 2.84Å; I10-Q12 PolarHBondContact O-N 3.14Å; Q12-T15 WeakPolarHBondContact CA-OG1 3.36Å; Q12-T15 PolarHBondContact O-N 3.11Å; Q12-T15 PolarHBondContact O-OG1 2.96Å
13	I	33.2	Very low	35.5	Very low	131 Å²	131	99.8 Å²	99.8	67%	0.672	54%	0.535	S	S	*	.	H	α-helix	trans	-74.9	-32.3	172.8	-66.2	168.5	0	0	0	110.3	S9 I10 T15 C16	S9-I13 WeakPolarHBondContact O-CD1 3.43Å; S9-I13 VanDerWaalsContact O-CG1 3.31Å; S9-I13 WeakPolarHBondContact O-CG1 3.5Å; S9-I13 PolarHBondContact O-N 3.3Å; I10-I13 PolarHBondContact O-N 3.11Å; I13-T15 VanDerWaalsContact C-N 3.3Å; I13-T15 PolarHBondContact O-N 3.03Å; I13-C16 PolarHBondContact O-N 3.45Å
14	V	30.3	Very low	35.2	Very low	97 Å²	97	101 Å²	101	59%	0.588	54%	0.536	S	S	*	.	H	α-helix	trans	-72.5	-21.3	174.2	176.7	0	0	0	0	112.6	I10 L11 C16	I10-V14 HydrophobicContact CG2-CG2 4.48Å; I10-V14 VanDerWaalsContact O-CG2 3.3Å; I10-V14 WeakPolarHBondContact O-CG2 3.47Å; I10-V14 PolarHBondContact O-N 2.9Å; L11-V14 PolarHBondContact O-N 3.26Å; V14-C16 VanDerWaalsContact C-N 3.32Å; V14-C16 PolarHBondContact O-N 3.48Å
15	T	30.8	Very low	34.9	Very low	79 Å²	79	98.9 Å²	98.9	49%	0.485	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-77	-12.1	175.3	47.6	0	0	0	0	114.8	L11 Q12 I13 S17 S18	L11-T15 PolarHBondContact O-N 3.49Å; Q12-T15 WeakPolarHBondContact CA-OG1 3.36Å; Q12-T15 PolarHBondContact O-N 3.11Å; Q12-T15 PolarHBondContact O-OG1 2.96Å; I13-T15 VanDerWaalsContact C-N 3.3Å; I13-T15 PolarHBondContact O-N 3.03Å; T15-S17 VanDerWaalsContact C-N 3.3Å; T15-S17 PolarHBondContact O-N 3.14Å; T15-S18 PolarHBondContact O-N 3.31Å; T15-S18 PolarHBondContact O-OG 3.22Å
16	C	33.5	Very low	34.5	Very low	77 Å²	77	95.3 Å²	95.3	52%	0.52	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-79	-8.7	174	-79.5	0	0	0	0	114	I13 V14 S18 F20	I13-C16 PolarHBondContact O-N 3.45Å; V14-C16 VanDerWaalsContact C-N 3.32Å; V14-C16 PolarHBondContact O-N 3.48Å; C16-S18 VanDerWaalsContact C-N 3.31Å; C16-F20 VanDerWaalsContact O-CD2 3.26Å; C16-F20 WeakPolarHBondContact O-CD2 3Å
17	S	35	Very low	34.4	Very low	81 Å²	81	88.6 Å²	88.6	57%	0.566	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-72	-25.6	170.3	-68.9	0	0	0	0	112.8	T15 D19 F20	T15-S17 VanDerWaalsContact C-N 3.3Å; T15-S17 PolarHBondContact O-N 3.14Å; S17-D19 VanDerWaalsContact C-N 3.34Å; S17-D19 PolarHBondContact O-N 3.07Å; S17-F20 PolarHBondContact O-N 3.2Å
18	S	34.5	Very low	34.8	Very low	65 Å²	65	86.9 Å²	86.9	46%	0.455	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-14.8	-177.4	67.2	0	0	0	0	115.1	T15 C16 N22	T15-S18 PolarHBondContact O-N 3.31Å; T15-S18 PolarHBondContact O-OG 3.22Å; C16-S18 VanDerWaalsContact C-N 3.31Å; S18-N22 PolarHBondContact O-ND2 3.39Å
19	D	33.2	Very low	35.3	Very low	75 Å²	75	88.8 Å²	88.8	40%	0.401	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-24.4	172.1	-89.5	-43.1	0	0	0	111.5	S17 N22 I23 K26	S17-D19 VanDerWaalsContact C-N 3.34Å; S17-D19 PolarHBondContact O-N 3.07Å; D19-N22 CarbonylContact O-C 3.57Å; D19-N22 PolarHBondContact O-N 3.16Å; D19-I23 WeakPolarHBondContact O-CG1 3.49Å; D19-I23 PolarHBondContact O-N 3.07Å; D19-K26 IonicContact OD1-NZ 3.95Å; D19-K26 PolarHBondContact OD1-NZ 3.12Å
20	F	40.7	Very low	36	Very low	133 Å²	133	87.5 Å²	87.5	58%	0.583	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-39.4	-179.9	-74.4	-87.1	0	0	0	112.8	C16 S17 N22 I23	C16-F20 VanDerWaalsContact O-CD2 3.26Å; C16-F20 WeakPolarHBondContact O-CD2 3Å; S17-F20 PolarHBondContact O-N 3.2Å; F20-N22 PolarHBondContact O-N 3.44Å; F20-I23 HydrophobicContact CB-CD1 4.39Å; F20-I23 HydrophobicContact CD1-CD1 3.31Å; F20-I23 HydrophobicContact CD1-CG1 4.5Å; F20-I23 HydrophobicContact CE1-CD1 3.71Å; F20-I23 HydrophobicContact CG-CD1 4.04Å; F20-I23 PolarHBondContact O-N 3.32Å
21	D	33	Very low	36.3	Very low	137 Å²	137	84.3 Å²	84.3	73%	0.733	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-17	170.3	-67.7	-27	0	0	0	112.3
22	N	30.1	Very low	36.7	Very low	71 Å²	71	84.9 Å²	84.9	38%	0.38	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	1.5	177.3	-80.4	-64.2	0	0	0	114.2	S18 D19 F20 N24 V25 K26	S18-N22 PolarHBondContact O-ND2 3.39Å; D19-N22 CarbonylContact O-C 3.57Å; D19-N22 PolarHBondContact O-N 3.16Å; F20-N22 PolarHBondContact O-N 3.44Å; N22-N24 VanDerWaalsContact C-N 3.31Å; N22-N24 PolarHBondContact O-N 3.06Å; N22-V25 PolarHBondContact O-N 3.43Å; N22-K26 WeakPolarHBondContact O-CB 3.37Å; N22-K26 WeakPolarHBondContact O-CG 3.32Å; N22-K26 PolarHBondContact O-N 3.39Å
23	I	32.6	Very low	37.4	Very low	46 Å²	46	84.5 Å²	84.5	24%	0.236	46%	0.461	C	S	.	.	H	α-helix	trans	-62.2	-43.3	178	-73.8	173	0	0	0	110	D19 F20 V25 K26 F27	D19-I23 WeakPolarHBondContact O-CG1 3.49Å; D19-I23 PolarHBondContact O-N 3.07Å; F20-I23 HydrophobicContact CB-CD1 4.39Å; F20-I23 HydrophobicContact CD1-CD1 3.31Å; F20-I23 HydrophobicContact CD1-CG1 4.5Å; F20-I23 HydrophobicContact CE1-CD1 3.71Å; F20-I23 HydrophobicContact CG-CD1 4.04Å; F20-I23 PolarHBondContact O-N 3.32Å; I23-V25 VanDerWaalsContact C-N 3.33Å; I23-V25 PolarHBondContact O-N 3.17Å; I23-K26 PolarHBondContact O-N 3.3Å; I23-K26 VanDerWaalsContact O-N 3.12Å; I23-F27 HydrophobicContact CG2-CD2 3.79Å; I23-F27 HydrophobicContact CG2-CE2 4.01Å; I23-F27 WeakPolarHBondContact O-CB 3.5Å; I23-F27 PolarHBondContact O-N 3.44Å
24	N	31.7	Very low	37.7	Very low	95 Å²	95	85.8 Å²	85.8	51%	0.508	47%	0.469	S	S	.	.	H	α-helix	trans	-57.9	-46	176.7	-66	-2.4	0	0	0	111.1	N22 K26 F27	N22-N24 VanDerWaalsContact C-N 3.31Å; N22-N24 PolarHBondContact O-N 3.06Å; N24-K26 PolarHBondContact O-N 2.83Å; N24-F27 PolarHBondContact O-N 3.12Å
25	V	35.8	Very low	38	Very low	86 Å²	86	85 Å²	85	52%	0.521	46%	0.459	S	S	.	.	H	α-helix	trans	-70.4	-28.9	178.2	-176.5	0	0	0	0	112.8	N22 I23 N29	N22-V25 PolarHBondContact O-N 3.43Å; I23-V25 VanDerWaalsContact C-N 3.33Å; I23-V25 PolarHBondContact O-N 3.17Å; V25-N29 PolarHBondContact O-ND2 3.03Å
26	K	35.8	Very low	37.9	Very low	61 Å²	61	86.6 Å²	86.6	27%	0.265	47%	0.47	S	S	.	.	H	α-helix	trans	-78.3	-32.1	177.4	-78.5	-178.7	-173.3	171.6	0	111.8	D19 N22 I23 N24 D28 N29	D19-K26 IonicContact OD1-NZ 3.95Å; D19-K26 PolarHBondContact OD1-NZ 3.12Å; N22-K26 WeakPolarHBondContact O-CB 3.37Å; N22-K26 WeakPolarHBondContact O-CG 3.32Å; N22-K26 PolarHBondContact O-N 3.39Å; I23-K26 PolarHBondContact O-N 3.3Å; I23-K26 VanDerWaalsContact O-N 3.12Å; N24-K26 PolarHBondContact O-N 2.83Å; K26-D28 VanDerWaalsContact C-N 3.34Å; K26-N29 WeakPolarHBondContact O-CB 3.22Å; K26-N29 PolarHBondContact O-N 3.47Å; K26-N29 PolarHBondContact O-ND2 3.4Å
27	F	37.8	Very low	37.9	Very low	24 Å²	24	85.8 Å²	85.8	11%	0.105	46%	0.461	C	S	.	.	H	α-helix	trans	-61.2	-38.9	176.9	-115.6	-99.3	0	0	0	112.8	I23 N24 N29 Y30 L31 Y150 S174	I23-F27 HydrophobicContact CG2-CD2 3.79Å; I23-F27 HydrophobicContact CG2-CE2 4.01Å; I23-F27 WeakPolarHBondContact O-CB 3.5Å; I23-F27 PolarHBondContact O-N 3.44Å; N24-F27 PolarHBondContact O-N 3.12Å; F27-N29 PolarHBondContact O-N 2.8Å; F27-Y30 WeakPolarHBondContact O-CA 3.38Å; F27-Y30 PolarHBondContact O-N 2.87Å; F27-L31 PolarHBondContact O-N 3.11Å; F27-Y150 AromaticContact CE1-CE1 3.97Å; F27-Y150 HydrophobicContact CE1-CE1 3.97Å; F27-S174 VanDerWaalsContact CZ-CB 3.42Å; F27-S174 WeakPolarHBondContact CZ-OG 3.28Å
28	D	45.7	Very low	38	Very low	75 Å²	75	84.5 Å²	84.5	40%	0.401	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-31.6	174.8	-76.3	-14.9	0	0	0	113.4	K26 Y30	K26-D28 VanDerWaalsContact C-N 3.34Å; D28-Y30 PolarHBondContact O-N 3.42Å
29	N	52.3	Low	38	Very low	130 Å²	130	86.4 Å²	86.4	70%	0.695	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-15.4	179.8	-59.5	-64.5	0	0	0	113.4	V25 K26 F27	V25-N29 PolarHBondContact O-ND2 3.03Å; K26-N29 WeakPolarHBondContact O-CB 3.22Å; K26-N29 PolarHBondContact O-N 3.47Å; K26-N29 PolarHBondContact O-ND2 3.4Å; F27-N29 PolarHBondContact O-N 2.8Å
30	Y	51.2	Low	37.7	Very low	40 Å²	40	90 Å²	90	16%	0.157	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-14.5	178.4	-70.8	-80.2	0	0	0	113.1	F27 D28 Y152 D167 T168 F171	F27-Y30 WeakPolarHBondContact O-CA 3.38Å; F27-Y30 PolarHBondContact O-N 2.87Å; D28-Y30 PolarHBondContact O-N 3.42Å; Y30-Y152 WeakPolarHBondContact O-CE2 3.32Å; Y30-Y152 PolarHBondContact O-OH 3.44Å; Y30-D167 HydrophobicContact CE2-CB 4.14Å; Y30-D167 WeakPolarHBondContact OH-CB 3.08Å; Y30-T168 PolarHBondContact OH-N 3.07Å; Y30-T168 VanDerWaalsContact OH-N 3.14Å; Y30-F171 HydrophobicContact CD1-CB 4.44Å; Y30-F171 HydrophobicContact CD1-CD1 4.31Å; Y30-F171 HydrophobicContact CD1-CD2 4.5Å; Y30-F171 HydrophobicContact CD1-CG 4.16Å; Y30-F171 HydrophobicContact CD2-CB 4.39Å; Y30-F171 HydrophobicContact CE1-CB 4.49Å; Y30-F171 HydrophobicContact CE2-CB 4.44Å; Y30-F171 HydrophobicContact CG-CB 4.39Å; Y30-F171 HydrophobicContact CG-CD2 4.13Å; Y30-F171 HydrophobicContact CG-CG 4.17Å
31	L	44.5	Very low	37.3	Very low	21 Å²	21	89.9 Å²	89.9	11%	0.11	47%	0.47	C	S	.	.	S	Bend	trans	-72.4	143.1	166.6	-63	174.7	0	0	0	109.4	F27 I149 Y150	F27-L31 PolarHBondContact O-N 3.11Å; L31-I149 WeakPolarHBondContact CD2-O 3.18Å; L31-Y150 HydrophobicContact CD2-CD1 4.27Å
32	R	39.6	Very low	37.2	Very low	125 Å²	125	86.5 Å²	86.5	47%	0.472	45%	0.452	S	S	.	.			trans	-67.1	142.9	172.1	-77.7	-168.7	-176.9	-136	0.9	109.1	D34 E35 G151 E156	R32-D34 PolarHBondContact O-N 3.16Å; R32-E35 PolarHBondContact O-N 3.42Å; R32-G151 PolarHBondContact NE-O 3.45Å; R32-G151 PolarHBondContact NH2-O 3.24Å; R32-E156 IonicContact NH2-OE1 3.72Å
33	P	43.9	Very low	37.3	Very low	126 Å²	126	90.3 Å²	90.3	82%	0.818	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-13.6	-172.6	-25.9	33.1	0	0	0	117.1
34	D	40.3	Very low	37.1	Very low	157 Å²	157	92.3 Å²	92.3	84%	0.84	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	11	-171.1	-57.5	-30.4	0	0	0	112.9	R32	R32-D34 PolarHBondContact O-N 3.16Å
35	E	35.5	Very low	37	Very low	81 Å²	81	94.6 Å²	94.6	38%	0.379	50%	0.503	S	S	.	.	S	Bend	trans	-118.8	141.6	-179.3	-78.8	171.7	175.8	0	0	112.7	R32	R32-E35 PolarHBondContact O-N 3.42Å
36	P	29.5	Very low	37	Very low	113 Å²	113	96 Å²	96	73%	0.734	50%	0.499	S	S	*	.			trans	-67	138.2	-177.8	25.9	-31.1	0	0	0	111.7	L38	P36-L38 PolarHBondContact O-N 2.9Å
37	D	32.5	Very low	36.8	Very low	59 Å²	59	98.2 Å²	98.2	32%	0.316	51%	0.511	S	S	.	.			trans	-60.7	109.9	179.2	-166.4	3.7	0	0	0	111.3	H39 M40	D37-H39 VanDerWaalsContact C-N 3.34Å; D37-H39 PolarHBondContact O-N 3.49Å; D37-M40 HydrophobicContact CB-CG 4.27Å; D37-M40 WeakPolarHBondContact O-CB 3.12Å; D37-M40 PolarHBondContact O-N 3.44Å; D37-M40 VanDerWaalsContact O-N 3.16Å
38	L	37.1	Very low	36.7	Very low	55 Å²	55	98 Å²	98	29%	0.288	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-73.1	-21.6	-169.2	-89.2	142.8	0	0	0	114.5	P36 M40 L41 I149	P36-L38 PolarHBondContact O-N 2.9Å; L38-M40 PolarHBondContact O-N 3.35Å; L38-L41 HydrophobicContact CD2-CD1 4.2Å; L38-L41 PolarHBondContact O-N 3.41Å; L38-I149 HydrophobicContact CD1-CB 3.86Å; L38-I149 HydrophobicContact CD1-CD1 3.37Å; L38-I149 HydrophobicContact CD1-CG1 4.17Å; L38-I149 HydrophobicContact CD1-CG2 3.37Å; L38-I149 HydrophobicContact CD2-CD1 3.49Å; L38-I149 VanDerWaalsContact CD2-CD1 3.49Å; L38-I149 HydrophobicContact CG-CD1 4.06Å
39	H	35.3	Very low	36.7	Very low	105 Å²	105	97.3 Å²	97.3	49%	0.486	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-72.6	-5.6	172.7	-72.3	-68.4	0	0	0	112.8	D37 L41 D42	D37-H39 VanDerWaalsContact C-N 3.34Å; D37-H39 PolarHBondContact O-N 3.49Å; H39-L41 VanDerWaalsContact C-N 3.28Å; H39-D42 PolarHBondContact O-N 3.12Å
40	M	27.1	Very low	36.1	Very low	149 Å²	149	96.3 Å²	96.3	73%	0.734	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-85.9	2.6	168.3	-62.6	-94.4	-95.8	0	0	112.8	D37 L38 D42	D37-M40 HydrophobicContact CB-CG 4.27Å; D37-M40 WeakPolarHBondContact O-CB 3.12Å; D37-M40 PolarHBondContact O-N 3.44Å; D37-M40 VanDerWaalsContact O-N 3.16Å; L38-M40 PolarHBondContact O-N 3.35Å; M40-D42 PolarHBondContact O-N 3.29Å
41	L	32.5	Very low	35.9	Very low	131 Å²	131	95.1 Å²	95.1	69%	0.686	50%	0.497	S	S	*	.	S	Bend	trans	-83.4	39.1	151.4	-60.2	179.4	0	0	0	110.2	L38 H39	L38-L41 HydrophobicContact CD2-CD1 4.2Å; L38-L41 PolarHBondContact O-N 3.41Å; H39-L41 VanDerWaalsContact C-N 3.28Å
42	D	30.4	Very low	35.7	Very low	66 Å²	66	98.5 Å²	98.5	35%	0.353	51%	0.508	S	S	.	.			trans	21.5	105.5	138.3	-164.1	18.9	0	0	0	116.5	H39 M40 S44 N45	H39-D42 PolarHBondContact O-N 3.12Å; M40-D42 PolarHBondContact O-N 3.29Å; D42-S44 PolarHBondContact O-N 3Å; D42-S44 WeakPolarHBondContact OD1-CA 3.31Å; D42-S44 WeakPolarHBondContact OD1-CB 3.47Å; D42-S44 PolarHBondContact OD1-N 3.02Å; D42-S44 PolarHBondContact OD1-OG 2.93Å; D42-S44 WeakPolarHBondContact OD2-CB 3.05Å; D42-S44 PolarHBondContact OD2-OG 3.05Å; D42-N45 PolarHBondContact O-N 3.47Å
43	D	33	Very low	35.8	Very low	151 Å²	151	94.2 Å²	94.2	81%	0.807	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-53.4	-14.7	157.7	-83.1	-34.2	0	0	0	111.7	N45 Y46	D43-N45 VanDerWaalsContact C-N 3.26Å; D43-N45 PolarHBondContact O-N 2.95Å; D43-Y46 WeakPolarHBondContact O-CA 3.38Å; D43-Y46 WeakPolarHBondContact O-CB 3.37Å; D43-Y46 PolarHBondContact O-N 2.84Å
44	S	28.7	Very low	35.5	Very low	89 Å²	89	95.6 Å²	95.6	62%	0.622	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-71.8	-15.9	168.8	-22.8	0	0	0	0	114	D42	D42-S44 PolarHBondContact O-N 3Å; D42-S44 WeakPolarHBondContact OD1-CA 3.31Å; D42-S44 WeakPolarHBondContact OD1-CB 3.47Å; D42-S44 PolarHBondContact OD1-N 3.02Å; D42-S44 PolarHBondContact OD1-OG 2.93Å; D42-S44 WeakPolarHBondContact OD2-CB 3.05Å; D42-S44 PolarHBondContact OD2-OG 3.05Å
45	N	28.2	Very low	35.4	Very low	143 Å²	143	96.2 Å²	96.2	77%	0.765	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-83.4	-3.7	166.4	-104.7	17	0	0	0	111.9	D42 D43 Q47	D42-N45 PolarHBondContact O-N 3.47Å; D43-N45 VanDerWaalsContact C-N 3.26Å; D43-N45 PolarHBondContact O-N 2.95Å; N45-Q47 PolarHBondContact O-N 3.22Å
46	Y	35.6	Very low	35.7	Very low	115 Å²	115	94.5 Å²	94.5	45%	0.451	50%	0.495	S	S	.	.			trans	-71.5	74.5	159	-169.4	-110.7	0	0	0	108.8	D43 G48 H205	D43-Y46 WeakPolarHBondContact O-CA 3.38Å; D43-Y46 WeakPolarHBondContact O-CB 3.37Å; D43-Y46 PolarHBondContact O-N 2.84Å; Y46-G48 VanDerWaalsContact CE2-CA 3.44Å; Y46-G48 PolarHBondContact O-N 3.3Å; Y46-H205 AromaticContact CD2-CE1 3.9Å; Y46-H205 AromaticContact CE2-CD2 3.92Å; Y46-H205 AromaticContact CE2-CE1 3.07Å; Y46-H205 WeakPolarHBondContact CE2-CE1 3.35Å; Y46-H205 AromaticContact CE2-ND1 3.77Å; Y46-H205 AromaticContact CE2-NE2 3.18Å; Y46-H205 WeakPolarHBondContact CE2-NE2 2.92Å; Y46-H205 AromaticContact CZ-CD2 3.8Å; Y46-H205 AromaticContact CZ-CE1 3.68Å; Y46-H205 AromaticContact CZ-NE2 3.56Å; Y46-H205 PolarHBondContact OH-CD2 3.14Å; Y46-H205 PolarHBondContact OH-NE2 3.05Å; Y46-H205 VanDerWaalsContact OH-NE2 3.16Å
47	Q	32.4	Very low	36.2	Very low	108 Å²	108	95 Å²	95	51%	0.505	49%	0.488	S	S	.	.			trans	-69.4	83.8	144.2	-71.1	-177	-33.9	0	0	104.7	N45 H49	N45-Q47 PolarHBondContact O-N 3.22Å; Q47-H49 PolarHBondContact O-N 3.34Å
48	G	35.9	Very low	36.9	Very low	20 Å²	20	94.5 Å²	94.5	21%	0.206	48%	0.484	C	S	.	.			trans	-60.8	91.6	175.3	0	0	0	0	0	108.4	Y46 E50	Y46-G48 VanDerWaalsContact CE2-CA 3.44Å; Y46-G48 PolarHBondContact O-N 3.3Å; G48-E50 PolarHBondContact O-N 2.96Å
49	H	45.9	Very low	37.5	Very low	59 Å²	59	96.2 Å²	96.2	27%	0.273	49%	0.487	S	S	.	.			trans	14.2	60.9	-174	-53.3	-79.4	0	0	0	112.6	Q47 H51 F117 D121	Q47-H49 PolarHBondContact O-N 3.34Å; H49-H51 PolarHBondContact O-CD2 2.95Å; H49-H51 PolarHBondContact O-N 3.48Å; H49-F117 HydrophobicContact CB-CE1 4.28Å; H49-D121 IonicContact CE1-OD1 3.58Å; H49-D121 PolarHBondContact CE1-OD1 3.28Å; H49-D121 IonicContact NE2-OD1 3.58Å
50	E	38.8	Very low	38.5	Very low	109 Å²	109	92.1 Å²	92.1	51%	0.509	47%	0.47	S	S	.	.			trans	-75.9	89.7	-178.3	-85.8	-177.5	177.4	0	0	105.1	G48 Y52 Y59	G48-E50 PolarHBondContact O-N 2.96Å; E50-Y52 PolarHBondContact O-N 2.76Å; E50-Y52 VanDerWaalsContact O-N 3.16Å; E50-Y59 WeakPolarHBondContact O-CD2 3.41Å; E50-Y59 WeakPolarHBondContact O-CE2 3.42Å
51	H	47.2	Very low	39.8	Very low	16 Å²	16	89.7 Å²	89.7	7%	0.074	46%	0.457	C	S	.	.	S	Bend	trans	-58	-23.6	177.3	-75.3	-81	0	0	0	112.5	H49 H58 Y59 D63 F117 T280	H49-H51 PolarHBondContact O-CD2 2.95Å; H49-H51 PolarHBondContact O-N 3.48Å; H51-H58 VanDerWaalsContact O-CA 3.3Å; H51-H58 WeakPolarHBondContact O-CA 3.44Å; H51-Y59 PolarHBondContact O-N 3.14Å; H51-Y59 VanDerWaalsContact O-N 3.08Å; H51-D63 IonicContact ND1-OD1 3.07Å; H51-F117 AromaticContact CE1-CE1 3.71Å; H51-F117 AromaticContact CE1-CZ 3.51Å; H51-F117 AromaticContact NE2-CE1 3.37Å; H51-F117 WeakPolarHBondContact NE2-CE1 3.38Å; H51-F117 AromaticContact NE2-CZ 3.17Å; H51-F117 WeakPolarHBondContact NE2-CZ 3.31Å; H51-T280 WeakPolarHBondContact CD2-CG2 3.39Å; H51-T280 WeakPolarHBondContact NE2-CG2 3.5Å
52	Y	40.1	Very low	41.1	Very low	91 Å²	91	89.4 Å²	89.4	36%	0.357	45%	0.448	S	S	.	.	B	Isolated β-bridge	trans	-111.8	135.1	179.2	-63.2	-78.8	0	0	0	109.1	E50 G56 Q57 H58	E50-Y52 PolarHBondContact O-N 2.76Å; E50-Y52 VanDerWaalsContact O-N 3.16Å; Y52-G56 WeakPolarHBondContact CD1-O 3.47Å; Y52-Q57 CarbonylContact C-O 3.51Å; Y52-Q57 VanDerWaalsContact CA-O 3.31Å; Y52-Q57 WeakPolarHBondContact CA-O 3.45Å; Y52-H58 AromaticContact CE1-CD2 3.72Å; Y52-H58 AromaticContact CE1-NE2 3.48Å; Y52-H58 WeakPolarHBondContact CE1-NE2 3.36Å; Y52-H58 AromaticContact CZ-NE2 3.77Å
53	D	43	Very low	42.8	Very low	36 Å²	36	86.9 Å²	86.9	19%	0.193	43%	0.434	C	S	.	.			trans	-63.1	172.2	161.8	71.7	4.7	0	0	0	111	F55 G56 Q57 Y59	D53-F55 PolarHBondContact O-N 3Å; D53-F55 WeakPolarHBondContact OD1-CA 3.19Å; D53-F55 VanDerWaalsContact OD1-CB 3.28Å; D53-F55 WeakPolarHBondContact OD1-CB 3.19Å; D53-F55 PolarHBondContact OD1-N 3.08Å; D53-G56 PolarHBondContact O-N 3.23Å; D53-G56 PolarHBondContact OD1-N 3.04Å; D53-Q57 PolarHBondContact N-O 3.38Å; D53-Q57 WeakPolarHBondContact OD1-CB 3.42Å; D53-Q57 PolarHBondContact OD1-N 2.94Å; D53-Q57 WeakPolarHBondContact OD2-CB 3.36Å; D53-Q57 PolarHBondContact OD2-NE2 2.93Å; D53-Y59 HydrophobicContact CB-CE2 4.3Å
54	D	37.3	Very low	44.9	Very low	154 Å²	154	80 Å²	80	82%	0.824	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-12.5	173	-78.6	-25.7	0	0	0	114.1
55	F	38.4	Very low	47.4	Very low	170 Å²	170	76.4 Å²	76.4	75%	0.746	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	2.7	-179	-52.9	-76.8	0	0	0	113.8	D53	D53-F55 PolarHBondContact O-N 3Å; D53-F55 WeakPolarHBondContact OD1-CA 3.19Å; D53-F55 VanDerWaalsContact OD1-CB 3.28Å; D53-F55 WeakPolarHBondContact OD1-CB 3.19Å; D53-F55 PolarHBondContact OD1-N 3.08Å
56	G	41.6	Very low	49.7	Very low	46 Å²	46	69.7 Å²	69.7	47%	0.474	34%	0.335	S	S	.	.	S	Bend	trans	79.2	22.1	-178.2	0	0	0	0	0	114.5	Y52 D53	Y52-G56 WeakPolarHBondContact CD1-O 3.47Å; D53-G56 PolarHBondContact O-N 3.23Å; D53-G56 PolarHBondContact OD1-N 3.04Å
57	Q	39.6	Very low	51.9	Low	122 Å²	122	64.3 Å²	64.3	57%	0.57	31%	0.314	S	S	*	.			trans	-99.8	138.2	176.2	-57.2	177.1	67.2	0	0	111.9	Y52 D53	Y52-Q57 CarbonylContact C-O 3.51Å; Y52-Q57 VanDerWaalsContact CA-O 3.31Å; Y52-Q57 WeakPolarHBondContact CA-O 3.45Å; D53-Q57 PolarHBondContact N-O 3.38Å; D53-Q57 WeakPolarHBondContact OD1-CB 3.42Å; D53-Q57 PolarHBondContact OD1-N 2.94Å; D53-Q57 WeakPolarHBondContact OD2-CB 3.36Å; D53-Q57 PolarHBondContact OD2-NE2 2.93Å
58	H	46.3	Very low	54.4	Low	50 Å²	50	59.6 Å²	59.6	23%	0.231	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-64.1	130.5	179.9	-85.3	-95.9	0	0	0	113.8	H51 Y52 S60 D63 E284 H287	H51-H58 VanDerWaalsContact O-CA 3.3Å; H51-H58 WeakPolarHBondContact O-CA 3.44Å; Y52-H58 AromaticContact CE1-CD2 3.72Å; Y52-H58 AromaticContact CE1-NE2 3.48Å; Y52-H58 WeakPolarHBondContact CE1-NE2 3.36Å; Y52-H58 AromaticContact CZ-NE2 3.77Å; H58-S60 VanDerWaalsContact C-N 3.29Å; H58-S60 PolarHBondContact O-N 3.15Å; H58-D63 WeakPolarHBondContact CB-OD2 3.32Å; H58-D63 IonicContact CG-OD2 2.72Å; H58-D63 IonicContact ND1-OD1 3.51Å; H58-D63 IonicContact ND1-OD2 3.58Å; H58-D63 PolarHBondContact ND1-OD2 3.06Å; H58-D63 VanDerWaalsContact ND1-OD2 3.07Å; H58-E284 IonicContact CE1-OE2 3.52Å; H58-H287 AromaticContact CE1-CD2 3.69Å; H58-H287 AromaticContact CE1-CG 3.92Å; H58-H287 AromaticContact CE1-NE2 3.98Å; H58-H287 AromaticContact NE2-CD2 3.84Å; H58-H287 AromaticContact NE2-CE1 3.7Å; H58-H287 AromaticContact NE2-CG 3.81Å; H58-H287 AromaticContact NE2-ND1 3.71Å; H58-H287 AromaticContact NE2-NE2 3.81Å
59	Y	50.8	Low	56.6	Low	90 Å²	90	59.1 Å²	59.1	35%	0.353	29%	0.288	S	S	.	.			trans	-76.9	81.4	162.9	-69.6	-80.7	0	0	0	110.6	E50 H51 D53 E61 Y62 D63	E50-Y59 WeakPolarHBondContact O-CD2 3.41Å; E50-Y59 WeakPolarHBondContact O-CE2 3.42Å; H51-Y59 PolarHBondContact O-N 3.14Å; H51-Y59 VanDerWaalsContact O-N 3.08Å; D53-Y59 HydrophobicContact CB-CE2 4.3Å; Y59-E61 PolarHBondContact O-N 3.09Å; Y59-Y62 HydrophobicContact CG-CD2 4.44Å; Y59-Y62 PolarHBondContact O-N 2.92Å; Y59-D63 PolarHBondContact O-N 3.49Å; Y59-D63 VanDerWaalsContact O-N 3.16Å
60	S	55.5	Low	58.5	Low	20 Å²	20	57.6 Å²	57.6	14%	0.14	28%	0.284	C	S	.	.	H	α-helix	trans	-50.5	-28.5	-176.5	156.4	0	0	0	0	115.6	H58 H64 R322	H58-S60 VanDerWaalsContact C-N 3.29Å; H58-S60 PolarHBondContact O-N 3.15Å; S60-H64 PolarHBondContact O-CD2 3.13Å; S60-H64 PolarHBondContact O-N 2.89Å; S60-H64 PolarHBondContact O-NE2 2.77Å; S60-H64 PolarHBondContact OG-NE2 2.78Å; S60-R322 VanDerWaalsContact CB-NH1 3.34Å; S60-R322 VanDerWaalsContact CB-NH2 3.29Å; S60-R322 PolarHBondContact OG-NH2 2.93Å
61	E	54.4	Low	60.5	Low	98 Å²	98	56.5 Å²	56.5	46%	0.458	28%	0.279	S	S	.	.	H	α-helix	trans	-66.6	-42.7	174.4	-64.5	-167.9	158.6	0	0	112.4	Y59 D63 H64 D65 K78	Y59-E61 PolarHBondContact O-N 3.09Å; E61-D63 VanDerWaalsContact C-N 3.34Å; E61-H64 PolarHBondContact O-N 2.88Å; E61-D65 PolarHBondContact O-N 3.44Å; E61-K78 IonicContact OE1-NZ 3.83Å
62	Y	59.5	Low	61.9	Low	125 Å²	125	61.4 Å²	61.4	49%	0.49	30%	0.301	S	S	.	.	H	α-helix	trans	-69.6	-34	177.5	-77.3	-88	0	0	0	111.6	Y59 H64 D65 L66	Y59-Y62 HydrophobicContact CG-CD2 4.44Å; Y59-Y62 PolarHBondContact O-N 2.92Å; Y62-H64 VanDerWaalsContact C-N 3.29Å; Y62-H64 PolarHBondContact O-N 3.27Å; Y62-D65 PolarHBondContact O-N 3.3Å; Y62-L66 WeakPolarHBondContact O-CB 3.44Å; Y62-L66 PolarHBondContact O-N 3.27Å
63	D	66.3	Low	63.8	Low	13 Å²	13	60 Å²	60	7%	0.07	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-36.9	176.7	-59.4	-22.5	0	0	0	111.5	H51 H58 Y59 E61 L66 I67	H51-D63 IonicContact ND1-OD1 3.07Å; H58-D63 WeakPolarHBondContact CB-OD2 3.32Å; H58-D63 IonicContact CG-OD2 2.72Å; H58-D63 IonicContact ND1-OD1 3.51Å; H58-D63 IonicContact ND1-OD2 3.58Å; H58-D63 PolarHBondContact ND1-OD2 3.06Å; H58-D63 VanDerWaalsContact ND1-OD2 3.07Å; Y59-D63 PolarHBondContact O-N 3.49Å; Y59-D63 VanDerWaalsContact O-N 3.16Å; E61-D63 VanDerWaalsContact C-N 3.34Å; D63-L66 WeakPolarHBondContact O-CB 3.29Å; D63-L66 PolarHBondContact O-N 3.06Å; D63-I67 WeakPolarHBondContact O-CG1 3.47Å; D63-I67 PolarHBondContact O-N 3.48Å
64	H	77.6	Confident	65.6	Low	6 Å²	6	58.2 Å²	58.2	3%	0.028	29%	0.287	C	S	.	.	H	α-helix	trans	-72.4	-39.3	177.7	-58.8	-29.8	0	0	0	112.5	S60 E61 Y62 L66 I67 T68 G314	S60-H64 PolarHBondContact O-CD2 3.13Å; S60-H64 PolarHBondContact O-N 2.89Å; S60-H64 PolarHBondContact O-NE2 2.77Å; S60-H64 PolarHBondContact OG-NE2 2.78Å; E61-H64 PolarHBondContact O-N 2.88Å; Y62-H64 VanDerWaalsContact C-N 3.29Å; Y62-H64 PolarHBondContact O-N 3.27Å; H64-L66 PolarHBondContact O-N 3.24Å; H64-I67 PolarHBondContact O-N 3.07Å; H64-T68 WeakPolarHBondContact O-CB 3.37Å; H64-T68 VanDerWaalsContact O-CG2 3.27Å; H64-T68 WeakPolarHBondContact O-CG2 3Å; H64-T68 PolarHBondContact O-N 3.4Å; H64-T68 PolarHBondContact O-OG1 3.19Å; H64-G314 WeakPolarHBondContact CE1-CA 3.05Å; H64-G314 PolarHBondContact CE1-N 3.32Å; H64-G314 PolarHBondContact ND1-N 2.8Å; H64-G314 WeakPolarHBondContact NE2-CA 3.11Å
65	D	80.4	Confident	67.6	Low	14 Å²	14	54.4 Å²	54.4	8%	0.075	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-39.6	172.6	-70.8	1.3	0	0	0	110.6	E61 Y62 T68 G69 S70 H71 S74 L120	E61-D65 PolarHBondContact O-N 3.44Å; Y62-D65 PolarHBondContact O-N 3.3Å; D65-T68 PolarHBondContact O-OG1 3.4Å; D65-T68 VanDerWaalsContact O-OG1 3.14Å; D65-G69 WeakPolarHBondContact O-CA 3.47Å; D65-G69 PolarHBondContact O-N 3.01Å; D65-S70 PolarHBondContact O-N 3.07Å; D65-H71 IonicContact OD1-ND1 2.73Å; D65-H71 IonicContact OD2-CE1 2.8Å; D65-H71 IonicContact OD2-CG 3.21Å; D65-H71 IonicContact OD2-ND1 3.5Å; D65-H71 PolarHBondContact OD2-ND1 3.5Å; D65-S74 WeakPolarHBondContact OD1-CB 3.11Å; D65-S74 PolarHBondContact OD1-OG 3.44Å; D65-L120 HydrophobicContact CB-CD1 4.23Å; D65-L120 HydrophobicContact CB-CD2 4.05Å
66	L	77	Confident	69.5	Low	1 Å²	1	51.5 Å²	51.5	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-66	-47	178.4	-174.7	64.3	0	0	0	112.4	Y62 D63 H64 T68 G69 I113 S116 F117 L120 E284	Y62-L66 WeakPolarHBondContact O-CB 3.44Å; Y62-L66 PolarHBondContact O-N 3.27Å; D63-L66 WeakPolarHBondContact O-CB 3.29Å; D63-L66 PolarHBondContact O-N 3.06Å; H64-L66 PolarHBondContact O-N 3.24Å; L66-T68 VanDerWaalsContact C-N 3.3Å; L66-T68 PolarHBondContact O-N 3.33Å; L66-G69 PolarHBondContact O-N 2.91Å; L66-I113 HydrophobicContact CD1-CG2 4Å; L66-I113 HydrophobicContact CD2-CG2 3.76Å; L66-I113 HydrophobicContact CG-CG2 4Å; L66-S116 WeakPolarHBondContact O-CB 3.42Å; L66-S116 PolarHBondContact O-OG 3Å; L66-S116 VanDerWaalsContact O-OG 3.1Å; L66-F117 HydrophobicContact CD1-CD1 3.6Å; L66-F117 HydrophobicContact CD1-CD2 3.62Å; L66-F117 HydrophobicContact CD1-CE1 3.52Å; L66-F117 HydrophobicContact CD1-CE2 3.56Å; L66-F117 HydrophobicContact CD1-CG 3.63Å; L66-F117 HydrophobicContact CD1-CZ 3.48Å; L66-F117 VanDerWaalsContact CD1-CZ 3.48Å; L66-F117 HydrophobicContact CD2-CE1 4.21Å; L66-F117 HydrophobicContact CD2-CE2 3.98Å; L66-F117 HydrophobicContact CD2-CZ 3.6Å; L66-F117 HydrophobicContact CG-CE1 4.46Å; L66-F117 HydrophobicContact CG-CE2 4.38Å; L66-F117 HydrophobicContact CG-CZ 4.17Å; L66-L120 HydrophobicContact CD1-CD1 4.43Å; L66-E284 HydrophobicContact CD2-CG 3.96Å
67	I	82.8	Confident	71.1	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-67.3	-36.6	179.8	-68	-67	0	0	0	111.4	D63 H64 L92 W112 L288 W312 V313	D63-I67 WeakPolarHBondContact O-CG1 3.47Å; D63-I67 PolarHBondContact O-N 3.48Å; H64-I67 PolarHBondContact O-N 3.07Å; I67-L92 HydrophobicContact CG2-CD2 3.66Å; I67-L92 WeakPolarHBondContact O-CD2 3.45Å; I67-W112 PolarHBondContact O-NE1 3.14Å; I67-L288 HydrophobicContact CD1-CD1 3.41Å; I67-L288 VanDerWaalsContact CD1-CD1 3.41Å; I67-L288 HydrophobicContact CG1-CD1 4.44Å; I67-W312 VanDerWaalsContact CB-O 3.26Å; I67-W312 WeakPolarHBondContact CB-O 3.23Å; I67-W312 HydrophobicContact CD1-CE3 4.39Å; I67-W312 HydrophobicContact CG2-CB 4.41Å; I67-W312 HydrophobicContact CG2-CE3 3.92Å; I67-W312 VanDerWaalsContact CG2-O 3.29Å; I67-W312 WeakPolarHBondContact CG2-O 3.24Å; I67-V313 HydrophobicContact CG2-CG1 4.43Å
68	T	83.8	Confident	72.7	Confident	9 Å²	9	45.1 Å²	45.1	6%	0.055	21%	0.208	C	C	.	.	H	α-helix	trans	-78.8	-20.9	179	59.6	0	0	0	0	113.4	H64 D65 L66 S70 Y73 S74 F77 V313	H64-T68 WeakPolarHBondContact O-CB 3.37Å; H64-T68 VanDerWaalsContact O-CG2 3.27Å; H64-T68 WeakPolarHBondContact O-CG2 3Å; H64-T68 PolarHBondContact O-N 3.4Å; H64-T68 PolarHBondContact O-OG1 3.19Å; D65-T68 PolarHBondContact O-OG1 3.4Å; D65-T68 VanDerWaalsContact O-OG1 3.14Å; L66-T68 VanDerWaalsContact C-N 3.3Å; L66-T68 PolarHBondContact O-N 3.33Å; T68-S70 PolarHBondContact O-N 3.37Å; T68-S70 PolarHBondContact OG1-O 3.37Å; T68-Y73 HydrophobicContact CG2-CD1 4.34Å; T68-S74 WeakPolarHBondContact OG1-CB 3.49Å; T68-F77 HydrophobicContact CG2-CD2 3.59Å; T68-F77 HydrophobicContact CG2-CE2 3.67Å; T68-F77 HydrophobicContact CG2-CG 4.47Å; T68-V313 HydrophobicContact CG2-CG1 4.16Å
69	G	82.5	Confident	74.2	Confident	10 Å²	10	50.2 Å²	50.2	10%	0.103	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	13.8	-177.3	0	0	0	0	0	114.6	D65 L66 S119	D65-G69 WeakPolarHBondContact O-CA 3.47Å; D65-G69 PolarHBondContact O-N 3.01Å; L66-G69 PolarHBondContact O-N 2.91Å; G69-S119 VanDerWaalsContact O-CB 3.29Å; G69-S119 WeakPolarHBondContact O-CB 3.31Å
70	S	84.9	Confident	75.5	Confident	28 Å²	28	47.9 Å²	47.9	20%	0.196	23%	0.225	C	C	.	.			trans	-162.1	129	179.4	170.5	0	0	0	0	111.1	D65 T68 E72 Y73 S74 E123	D65-S70 PolarHBondContact O-N 3.07Å; T68-S70 PolarHBondContact O-N 3.37Å; T68-S70 PolarHBondContact OG1-O 3.37Å; S70-E72 PolarHBondContact OG-N 2.86Å; S70-Y73 PolarHBondContact O-N 3.23Å; S70-Y73 VanDerWaalsContact O-N 3.13Å; S70-Y73 PolarHBondContact OG-N 2.84Å; S70-S74 PolarHBondContact O-N 3.22Å; S70-E123 WeakPolarHBondContact CA-OE2 3.13Å; S70-E123 WeakPolarHBondContact CB-OE2 3.32Å; S70-E123 PolarHBondContact OG-OE2 3.41Å
71	H	81.2	Confident	76.7	Confident	86 Å²	86	52.2 Å²	52.2	40%	0.398	25%	0.247	S	C	.	.	H	α-helix	trans	-61.5	-47.1	176.8	-179.6	75.6	0	0	0	110.8	D65 Y73 S74 Q75 E123	D65-H71 IonicContact OD1-ND1 2.73Å; D65-H71 IonicContact OD2-CE1 2.8Å; D65-H71 IonicContact OD2-CG 3.21Å; D65-H71 IonicContact OD2-ND1 3.5Å; D65-H71 PolarHBondContact OD2-ND1 3.5Å; H71-Y73 PolarHBondContact O-N 2.97Å; H71-S74 PolarHBondContact O-N 3.32Å; H71-Q75 PolarHBondContact CE1-NE2 3.32Å; H71-Q75 WeakPolarHBondContact O-CG 3.26Å; H71-Q75 PolarHBondContact O-N 3.15Å; H71-E123 PolarHBondContact N-OE1 2.85Å; H71-E123 PolarHBondContact N-OE2 3.12Å
72	E	77.5	Confident	77.7	Confident	119 Å²	119	51.3 Å²	51.3	56%	0.556	25%	0.25	S	C	*	.	H	α-helix	trans	-57	-35.4	175.1	-78.2	-170	-165.6	0	0	113.4	S70 K76 E123	S70-E72 PolarHBondContact OG-N 2.86Å; E72-K76 WeakPolarHBondContact O-CD 3.48Å; E72-K76 VanDerWaalsContact O-CG 3.32Å; E72-K76 WeakPolarHBondContact O-CG 3.41Å; E72-K76 PolarHBondContact O-N 2.75Å; E72-K76 IonicContact OE2-NZ 2.75Å; E72-K76 PolarHBondContact OE2-NZ 2.92Å; E72-E123 PolarHBondContact N-OE1 2.73Å; E72-E123 VanDerWaalsContact N-OE1 3.09Å
73	Y	79.1	Confident	78.8	Confident	60 Å²	60	52.4 Å²	52.4	24%	0.235	26%	0.259	C	S	.	.	H	α-helix	trans	-76.6	-40.2	-178.9	-168.3	-137.1	0	0	0	111.8	T68 S70 H71 K76 F77 Q88	T68-Y73 HydrophobicContact CG2-CD1 4.34Å; S70-Y73 PolarHBondContact O-N 3.23Å; S70-Y73 VanDerWaalsContact O-N 3.13Å; S70-Y73 PolarHBondContact OG-N 2.84Å; H71-Y73 PolarHBondContact O-N 2.97Å; Y73-K76 WeakPolarHBondContact O-CB 3.37Å; Y73-K76 PolarHBondContact O-N 2.81Å; Y73-F77 HydrophobicContact CD1-CD2 4.14Å; Y73-F77 AromaticContact CD1-CE2 3.83Å; Y73-F77 HydrophobicContact CD1-CE2 3.83Å; Y73-F77 HydrophobicContact CD2-CD2 4.39Å; Y73-F77 AromaticContact CE1-CD2 4Å; Y73-F77 HydrophobicContact CE1-CD2 4Å; Y73-F77 AromaticContact CE1-CE2 3.28Å; Y73-F77 HydrophobicContact CE1-CE2 3.28Å; Y73-F77 HydrophobicContact CE1-CZ 4.23Å; Y73-F77 HydrophobicContact CE2-CD2 4.25Å; Y73-F77 HydrophobicContact CE2-CE2 4.04Å; Y73-F77 HydrophobicContact CG-CD2 4.32Å; Y73-F77 HydrophobicContact CG-CE2 4.4Å; Y73-F77 AromaticContact CZ-CE2 3.37Å; Y73-F77 WeakPolarHBondContact O-CD2 3.49Å; Y73-F77 PolarHBondContact O-N 2.95Å; Y73-Q88 PolarHBondContact OH-OE1 3.44Å
74	S	80.3	Confident	79.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-57.4	-47	171	175.3	0	0	0	0	112.5	D65 T68 S70 H71 K76 F77 K78	D65-S74 WeakPolarHBondContact OD1-CB 3.11Å; D65-S74 PolarHBondContact OD1-OG 3.44Å; T68-S74 WeakPolarHBondContact OG1-CB 3.49Å; S70-S74 PolarHBondContact O-N 3.22Å; H71-S74 PolarHBondContact O-N 3.32Å; S74-K76 VanDerWaalsContact C-N 3.31Å; S74-K76 PolarHBondContact O-N 2.95Å; S74-F77 WeakPolarHBondContact O-CA 3.41Å; S74-F77 VanDerWaalsContact O-CB 3.25Å; S74-F77 WeakPolarHBondContact O-CB 3.2Å; S74-F77 PolarHBondContact O-N 2.84Å; S74-K78 PolarHBondContact O-N 3.4Å
75	Q	79.3	Confident	79.7	Confident	74 Å²	74	56.9 Å²	56.9	35%	0.346	28%	0.281	S	S	.	.	H	α-helix	trans	-60	-41.7	175.9	-65.8	-58.4	-41	0	0	112	H71 F77 K78 E79	H71-Q75 PolarHBondContact CE1-NE2 3.32Å; H71-Q75 WeakPolarHBondContact O-CG 3.26Å; H71-Q75 PolarHBondContact O-N 3.15Å; Q75-F77 VanDerWaalsContact C-N 3.32Å; Q75-F77 PolarHBondContact O-N 2.95Å; Q75-K78 PolarHBondContact O-N 3.33Å; Q75-E79 PolarHBondContact O-N 2.98Å
76	K	78.5	Confident	79.9	Confident	109 Å²	109	59.8 Å²	59.8	47%	0.474	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-39.7	174.1	-72.5	164.8	-170.4	147.4	0	111.5	E72 Y73 S74 K78 E79 L80	E72-K76 WeakPolarHBondContact O-CD 3.48Å; E72-K76 VanDerWaalsContact O-CG 3.32Å; E72-K76 WeakPolarHBondContact O-CG 3.41Å; E72-K76 PolarHBondContact O-N 2.75Å; E72-K76 IonicContact OE2-NZ 2.75Å; E72-K76 PolarHBondContact OE2-NZ 2.92Å; Y73-K76 WeakPolarHBondContact O-CB 3.37Å; Y73-K76 PolarHBondContact O-N 2.81Å; S74-K76 VanDerWaalsContact C-N 3.31Å; S74-K76 PolarHBondContact O-N 2.95Å; K76-K78 VanDerWaalsContact C-N 3.32Å; K76-K78 PolarHBondContact O-N 3.3Å; K76-E79 PolarHBondContact O-N 3.43Å; K76-E79 VanDerWaalsContact O-N 3.1Å; K76-L80 WeakPolarHBondContact O-CG 3.46Å; K76-L80 PolarHBondContact O-N 3.21Å
77	F	76.3	Confident	80.4	Confident	8 Å²	8	63 Å²	63	4%	0.035	32%	0.315	C	S	.	.	H	α-helix	trans	-58.2	-42.9	176.2	-102.7	-78.1	0	0	0	112.5	T68 Y73 S74 Q75 E79 L80 A85 Q88 V313	T68-F77 HydrophobicContact CG2-CD2 3.59Å; T68-F77 HydrophobicContact CG2-CE2 3.67Å; T68-F77 HydrophobicContact CG2-CG 4.47Å; Y73-F77 HydrophobicContact CD1-CD2 4.14Å; Y73-F77 AromaticContact CD1-CE2 3.83Å; Y73-F77 HydrophobicContact CD1-CE2 3.83Å; Y73-F77 HydrophobicContact CD2-CD2 4.39Å; Y73-F77 AromaticContact CE1-CD2 4Å; Y73-F77 HydrophobicContact CE1-CD2 4Å; Y73-F77 AromaticContact CE1-CE2 3.28Å; Y73-F77 HydrophobicContact CE1-CE2 3.28Å; Y73-F77 HydrophobicContact CE1-CZ 4.23Å; Y73-F77 HydrophobicContact CE2-CD2 4.25Å; Y73-F77 HydrophobicContact CE2-CE2 4.04Å; Y73-F77 HydrophobicContact CG-CD2 4.32Å; Y73-F77 HydrophobicContact CG-CE2 4.4Å; Y73-F77 AromaticContact CZ-CE2 3.37Å; Y73-F77 WeakPolarHBondContact O-CD2 3.49Å; Y73-F77 PolarHBondContact O-N 2.95Å; S74-F77 WeakPolarHBondContact O-CA 3.41Å; S74-F77 VanDerWaalsContact O-CB 3.25Å; S74-F77 WeakPolarHBondContact O-CB 3.2Å; S74-F77 PolarHBondContact O-N 2.84Å; Q75-F77 VanDerWaalsContact C-N 3.32Å; Q75-F77 PolarHBondContact O-N 2.95Å; F77-E79 PolarHBondContact O-N 3.39Å; F77-L80 HydrophobicContact CD1-CD1 4.23Å; F77-L80 WeakPolarHBondContact O-CB 3.36Å; F77-L80 PolarHBondContact O-N 3.29Å; F77-L80 VanDerWaalsContact O-N 3.13Å; F77-A85 HydrophobicContact CD1-CB 4.35Å; F77-A85 WeakPolarHBondContact CE1-O 3.33Å; F77-Q88 HydrophobicContact CD1-CB 4.32Å; F77-Q88 HydrophobicContact CE1-CB 3.39Å; F77-Q88 HydrophobicContact CE1-CG 4.4Å; F77-Q88 HydrophobicContact CE2-CB 4.16Å; F77-Q88 HydrophobicContact CZ-CB 3.29Å; F77-Q88 HydrophobicContact CZ-CG 4.43Å; F77-V313 HydrophobicContact CD1-CB 4.02Å; F77-V313 HydrophobicContact CD1-CG1 4.24Å; F77-V313 HydrophobicContact CD1-CG2 4.05Å; F77-V313 HydrophobicContact CE1-CB 4.18Å; F77-V313 HydrophobicContact CE1-CG1 3.95Å; F77-V313 HydrophobicContact CE1-CG2 4.12Å; F77-V313 HydrophobicContact CE2-CG1 4.39Å; F77-V313 HydrophobicContact CG-CB 4.38Å; F77-V313 HydrophobicContact CZ-CG1 4.02Å
78	K	73	Confident	80.5	Confident	25 Å²	25	65.1 Å²	65.1	11%	0.109	33%	0.325	C	S	.	.	H	α-helix	trans	-61.3	-28.3	176.4	-63.9	-173.9	-176	-161.8	0	112.1	E61 S74 Q75 K76 Q316 D319	E61-K78 IonicContact OE1-NZ 3.83Å; S74-K78 PolarHBondContact O-N 3.4Å; Q75-K78 PolarHBondContact O-N 3.33Å; K76-K78 VanDerWaalsContact C-N 3.32Å; K76-K78 PolarHBondContact O-N 3.3Å; K78-Q316 VanDerWaalsContact O-CD 3.26Å; K78-Q316 WeakPolarHBondContact O-CG 3.35Å; K78-Q316 PolarHBondContact O-NE2 3.19Å; K78-D319 WeakPolarHBondContact CE-OD2 3.39Å; K78-D319 IonicContact NZ-OD2 2.94Å; K78-D319 PolarHBondContact NZ-OD2 3.47Å
79	E	77.2	Confident	80.7	Confident	157 Å²	157	64.7 Å²	64.7	73%	0.734	32%	0.323	S	S	*	.	H	α-helix	trans	-83.1	-13.4	178.3	-65	-177.6	169.7	0	0	114.2	Q75 K76 F77	Q75-E79 PolarHBondContact O-N 2.98Å; K76-E79 PolarHBondContact O-N 3.43Å; K76-E79 VanDerWaalsContact O-N 3.1Å; F77-E79 PolarHBondContact O-N 3.39Å
80	L	78.1	Confident	81.1	Confident	41 Å²	41	64.5 Å²	64.5	22%	0.215	32%	0.321	C	S	.	.	S	Bend	trans	-75.2	148.1	-176.1	-65	177.1	0	0	0	112.8	K76 F77 E84 A85 Q88	K76-L80 WeakPolarHBondContact O-CG 3.46Å; K76-L80 PolarHBondContact O-N 3.21Å; F77-L80 HydrophobicContact CD1-CD1 4.23Å; F77-L80 WeakPolarHBondContact O-CB 3.36Å; F77-L80 PolarHBondContact O-N 3.29Å; F77-L80 VanDerWaalsContact O-N 3.13Å; L80-E84 HydrophobicContact CB-CB 4.14Å; L80-E84 HydrophobicContact CD1-CB 4.46Å; L80-E84 HydrophobicContact CD2-CB 4.27Å; L80-A85 HydrophobicContact CB-CB 4.26Å; L80-Q88 HydrophobicContact CD1-CB 4.39Å; L80-Q88 HydrophobicContact CD1-CG 3.61Å
81	D	80.8	Confident	81.3	Confident	111 Å²	111	68.2 Å²	68.2	59%	0.594	33%	0.333	S	S	*	.			trans	-63.3	150.2	165.3	-77.5	-41.2	0	0	0	110.3	E83 E84 A85	D81-E83 PolarHBondContact O-N 3.43Å; D81-E84 WeakPolarHBondContact O-CA 3.1Å; D81-E84 PolarHBondContact O-N 3.44Å; D81-A85 PolarHBondContact O-N 3.49Å
82	P	75.8	Confident	81.7	Confident	80 Å²	80	64.3 Å²	64.3	52%	0.519	32%	0.315	S	S	.	.	H	α-helix	trans	-53.6	-35.1	-175.2	-29	34.9	0	0	0	115.2	K86	P82-K86 WeakPolarHBondContact O-CG 3.35Å; P82-K86 PolarHBondContact O-N 3.24Å
83	E	82.4	Confident	82.4	Confident	147 Å²	147	58.7 Å²	58.7	69%	0.687	29%	0.289	S	S	*	.	H	α-helix	trans	-70.9	-36	177.6	-66.1	-62.4	127.3	0	0	112.3	D81 S87	D81-E83 PolarHBondContact O-N 3.43Å; E83-S87 PolarHBondContact O-N 3.34Å
84	E	84.3	Confident	83	Confident	106 Å²	106	59.6 Å²	59.6	50%	0.495	30%	0.295	S	S	.	.	H	α-helix	trans	-74.3	-40.2	176	-65.8	-169.3	152.6	0	0	111.1	L80 D81 K86 S87 Q88	L80-E84 HydrophobicContact CB-CB 4.14Å; L80-E84 HydrophobicContact CD1-CB 4.46Å; L80-E84 HydrophobicContact CD2-CB 4.27Å; D81-E84 WeakPolarHBondContact O-CA 3.1Å; D81-E84 PolarHBondContact O-N 3.44Å; E84-K86 VanDerWaalsContact C-N 3.34Å; E84-K86 PolarHBondContact O-N 3.22Å; E84-S87 WeakPolarHBondContact O-CA 3.35Å; E84-S87 VanDerWaalsContact O-CB 3.31Å; E84-S87 WeakPolarHBondContact O-CB 3.29Å; E84-S87 PolarHBondContact O-N 3.44Å; E84-Q88 WeakPolarHBondContact O-CG 3.49Å; E84-Q88 PolarHBondContact O-N 3.49Å
85	A	79.3	Confident	83.6	Confident	8 Å²	8	65.8 Å²	65.8	7%	0.066	32%	0.322	C	S	.	.	H	α-helix	trans	-56.8	-47.5	172.9	0	0	0	0	0	111	F77 L80 D81 S87 Q88 L89	F77-A85 HydrophobicContact CD1-CB 4.35Å; F77-A85 WeakPolarHBondContact CE1-O 3.33Å; L80-A85 HydrophobicContact CB-CB 4.26Å; D81-A85 PolarHBondContact O-N 3.49Å; A85-S87 VanDerWaalsContact C-N 3.31Å; A85-S87 PolarHBondContact O-N 2.91Å; A85-Q88 PolarHBondContact O-N 3.05Å; A85-L89 WeakPolarHBondContact O-CB 3.5Å; A85-L89 PolarHBondContact O-N 3.32Å
86	K	83.5	Confident	84.2	Confident	74 Å²	74	62.3 Å²	62.3	32%	0.322	31%	0.306	S	S	.	.	H	α-helix	trans	-60.6	-38.1	173	-75.8	178.1	179.5	-178.9	0	112.9	P82 E84 G90 L306 H309	P82-K86 WeakPolarHBondContact O-CG 3.35Å; P82-K86 PolarHBondContact O-N 3.24Å; E84-K86 VanDerWaalsContact C-N 3.34Å; E84-K86 PolarHBondContact O-N 3.22Å; K86-G90 PolarHBondContact O-N 2.47Å; K86-L306 HydrophobicContact CB-CD2 4.16Å; K86-L306 HydrophobicContact CG-CD2 4.44Å; K86-L306 WeakPolarHBondContact O-CD2 3.44Å; K86-H309 HydrophobicContact CG-CB 4.45Å
87	S	86.9	Confident	85	Confident	68 Å²	68	57.2 Å²	57.2	48%	0.476	28%	0.284	S	S	.	.	H	α-helix	trans	-62.9	-43.5	175.4	-169.7	0	0	0	0	112.1	E83 E84 A85 G90 K91	E83-S87 PolarHBondContact O-N 3.34Å; E84-S87 WeakPolarHBondContact O-CA 3.35Å; E84-S87 VanDerWaalsContact O-CB 3.31Å; E84-S87 WeakPolarHBondContact O-CB 3.29Å; E84-S87 PolarHBondContact O-N 3.44Å; A85-S87 VanDerWaalsContact C-N 3.31Å; A85-S87 PolarHBondContact O-N 2.91Å; S87-G90 PolarHBondContact O-N 2.73Å; S87-K91 PolarHBondContact O-N 3.45Å
88	Q	86.6	Confident	85.8	Confident	47 Å²	47	62.2 Å²	62.2	22%	0.22	31%	0.31	C	S	.	.	H	α-helix	trans	-70.1	-42.2	178.4	-64.5	-58.6	-11.8	0	0	112.1	Y73 F77 L80 E84 A85 G90 K91 L92	Y73-Q88 PolarHBondContact OH-OE1 3.44Å; F77-Q88 HydrophobicContact CD1-CB 4.32Å; F77-Q88 HydrophobicContact CE1-CB 3.39Å; F77-Q88 HydrophobicContact CE1-CG 4.4Å; F77-Q88 HydrophobicContact CE2-CB 4.16Å; F77-Q88 HydrophobicContact CZ-CB 3.29Å; F77-Q88 HydrophobicContact CZ-CG 4.43Å; L80-Q88 HydrophobicContact CD1-CB 4.39Å; L80-Q88 HydrophobicContact CD1-CG 3.61Å; E84-Q88 WeakPolarHBondContact O-CG 3.49Å; E84-Q88 PolarHBondContact O-N 3.49Å; A85-Q88 PolarHBondContact O-N 3.05Å; Q88-G90 PolarHBondContact O-N 2.86Å; Q88-K91 WeakPolarHBondContact O-CB 3.37Å; Q88-K91 PolarHBondContact O-N 3.26Å; Q88-L92 PolarHBondContact O-N 3.49Å
89	L	87.9	Confident	86.8	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-59	-38.6	171.9	-179.8	55.8	0	0	0	110.8	A85 K91 L92 F93 V305 L306 H309 W312 V313	A85-L89 WeakPolarHBondContact O-CB 3.5Å; A85-L89 PolarHBondContact O-N 3.32Å; L89-K91 VanDerWaalsContact C-N 3.27Å; L89-K91 PolarHBondContact O-N 3.41Å; L89-L92 HydrophobicContact CD1-CD2 4.09Å; L89-L92 WeakPolarHBondContact O-CB 3.31Å; L89-L92 PolarHBondContact O-N 2.97Å; L89-L92 VanDerWaalsContact O-N 3.16Å; L89-F93 PolarHBondContact O-N 2.72Å; L89-V305 HydrophobicContact CD1-CG1 3.92Å; L89-V305 HydrophobicContact CD2-CG1 4.06Å; L89-V305 HydrophobicContact CG-CG1 3.99Å; L89-L306 HydrophobicContact CB-CD2 4.08Å; L89-L306 HydrophobicContact CD2-CD2 4.08Å; L89-L306 HydrophobicContact CG-CD2 4.01Å; L89-H309 HydrophobicContact CD2-CB 3.63Å; L89-W312 HydrophobicContact CD1-CB 4.09Å; L89-W312 HydrophobicContact CD1-CE3 4.3Å; L89-W312 HydrophobicContact CD2-CB 4.23Å; L89-V313 HydrophobicContact CD1-CG1 4.03Å; L89-V313 HydrophobicContact CD2-CG2 4.48Å
90	G	90.4	Very high	87.5	Confident	5 Å²	5	63.4 Å²	63.4	5%	0.052	32%	0.323	C	S	.	.	H	α-helix	trans	-64.8	-25.4	174	0	0	0	0	0	114.5	K86 S87 Q88 H94 K302	K86-G90 PolarHBondContact O-N 2.47Å; S87-G90 PolarHBondContact O-N 2.73Å; Q88-G90 PolarHBondContact O-N 2.86Å; G90-H94 PolarHBondContact O-CD2 2.92Å; G90-K302 PolarHBondContact O-NZ 2.97Å
91	K	89.8	Confident	88.3	Confident	106 Å²	106	65 Å²	65	46%	0.461	33%	0.331	S	S	.	.	H	α-helix	trans	-80.4	-37.2	170.8	-65.2	175.8	-162.2	158.2	0	111.4	S87 Q88 L89 F93 H94 K95	S87-K91 PolarHBondContact O-N 3.45Å; Q88-K91 WeakPolarHBondContact O-CB 3.37Å; Q88-K91 PolarHBondContact O-N 3.26Å; L89-K91 VanDerWaalsContact C-N 3.27Å; L89-K91 PolarHBondContact O-N 3.41Å; K91-F93 VanDerWaalsContact C-N 3.32Å; K91-H94 PolarHBondContact O-N 2.61Å; K91-K95 PolarHBondContact O-N 2.97Å
92	L	89.1	Confident	89	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-60	-44.6	174.7	-178.7	61.7	0	0	0	110.5	I67 Q88 L89 H94 K95 I96 W112	I67-L92 HydrophobicContact CG2-CD2 3.66Å; I67-L92 WeakPolarHBondContact O-CD2 3.45Å; Q88-L92 PolarHBondContact O-N 3.49Å; L89-L92 HydrophobicContact CD1-CD2 4.09Å; L89-L92 WeakPolarHBondContact O-CB 3.31Å; L89-L92 PolarHBondContact O-N 2.97Å; L89-L92 VanDerWaalsContact O-N 3.16Å; L92-H94 VanDerWaalsContact C-N 3.28Å; L92-H94 PolarHBondContact O-N 3.36Å; L92-K95 WeakPolarHBondContact O-CA 3.26Å; L92-K95 WeakPolarHBondContact O-CB 2.97Å; L92-K95 PolarHBondContact O-N 3.14Å; L92-I96 HydrophobicContact CD1-CD1 4.48Å; L92-I96 HydrophobicContact CG-CD1 4.06Å; L92-I96 WeakPolarHBondContact O-CG1 3.11Å; L92-I96 PolarHBondContact O-N 3.47Å; L92-I96 VanDerWaalsContact O-N 3.1Å; L92-W112 HydrophobicContact CD1-CH2 3.84Å; L92-W112 HydrophobicContact CD1-CZ2 3.19Å
93	F	92.5	Very high	89.9	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.009	32%	0.321	C	S	.	.	H	α-helix	trans	-48.4	-49	173.3	-177.2	-83.1	0	0	0	112.6	L89 K91 K95 I96 D97 L102 I104 L300 K302 V305	L89-F93 PolarHBondContact O-N 2.72Å; K91-F93 VanDerWaalsContact C-N 3.32Å; F93-K95 PolarHBondContact O-N 3.16Å; F93-I96 PolarHBondContact O-N 2.69Å; F93-D97 HydrophobicContact CE1-CB 4.3Å; F93-D97 WeakPolarHBondContact O-CB 3.36Å; F93-D97 PolarHBondContact O-N 2.93Å; F93-L102 WeakPolarHBondContact CZ-O 3.33Å; F93-I104 HydrophobicContact CD2-CD1 3.33Å; F93-I104 HydrophobicContact CD2-CG1 4.01Å; F93-I104 HydrophobicContact CE2-CB 4.48Å; F93-I104 HydrophobicContact CE2-CD1 3.46Å; F93-I104 VanDerWaalsContact CE2-CD1 3.46Å; F93-I104 HydrophobicContact CE2-CG1 3.66Å; F93-I104 HydrophobicContact CG-CD1 4.01Å; F93-I104 HydrophobicContact CZ-CD1 4.22Å; F93-I104 HydrophobicContact CZ-CG1 3.96Å; F93-L300 WeakPolarHBondContact CE2-O 3.37Å; F93-K302 HydrophobicContact CD1-CB 4.1Å; F93-K302 HydrophobicContact CD1-CD 4.36Å; F93-K302 HydrophobicContact CD1-CG 4.3Å; F93-K302 HydrophobicContact CD2-CB 4.13Å; F93-K302 HydrophobicContact CD2-CG 4.42Å; F93-K302 HydrophobicContact CE1-CB 3.98Å; F93-K302 VanDerWaalsContact CE2-CA 3.47Å; F93-K302 HydrophobicContact CE2-CB 4Å; F93-K302 VanDerWaalsContact CE2-N 3.32Å; F93-K302 HydrophobicContact CG-CB 4.19Å; F93-K302 HydrophobicContact CG-CG 4.19Å; F93-K302 HydrophobicContact CZ-CB 3.92Å; F93-V305 HydrophobicContact CD2-CB 4.2Å; F93-V305 HydrophobicContact CD2-CG1 4.45Å; F93-V305 HydrophobicContact CD2-CG2 3.98Å; F93-V305 HydrophobicContact CE2-CG2 4.08Å
94	H	92	Very high	90.6	Very high	78 Å²	78	57.7 Å²	57.7	36%	0.361	29%	0.288	S	S	.	.	H	α-helix	trans	-71.4	-13.5	179.4	-66.4	-55.7	0	0	0	114.4	G90 K91 L92 K302	G90-H94 PolarHBondContact O-CD2 2.92Å; K91-H94 PolarHBondContact O-N 2.61Å; L92-H94 VanDerWaalsContact C-N 3.28Å; L92-H94 PolarHBondContact O-N 3.36Å; H94-K302 PolarHBondContact NE2-NZ 3.35Å
95	K	91.3	Very high	91.1	Very high	130 Å²	130	55.2 Å²	55.2	57%	0.565	28%	0.279	S	S	*	.	H	α-helix	trans	-84.5	-31.6	171	-68.5	-177.8	174.8	-175.7	0	111.8	K91 L92 F93 W112	K91-K95 PolarHBondContact O-N 2.97Å; L92-K95 WeakPolarHBondContact O-CA 3.26Å; L92-K95 WeakPolarHBondContact O-CB 2.97Å; L92-K95 PolarHBondContact O-N 3.14Å; F93-K95 PolarHBondContact O-N 3.16Å; K95-W112 HydrophobicContact CB-CH2 4.06Å; K95-W112 HydrophobicContact CB-CZ3 3.78Å; K95-W112 HydrophobicContact CD-CH2 4.02Å; K95-W112 HydrophobicContact CD-CZ3 4.42Å
96	I	92.9	Very high	91.9	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-76.6	-43.7	178.9	-57.2	171.4	0	0	0	110.3	L92 F93 I98 I104 E108 L109 W112 W312	L92-I96 HydrophobicContact CD1-CD1 4.48Å; L92-I96 HydrophobicContact CG-CD1 4.06Å; L92-I96 WeakPolarHBondContact O-CG1 3.11Å; L92-I96 PolarHBondContact O-N 3.47Å; L92-I96 VanDerWaalsContact O-N 3.1Å; F93-I96 PolarHBondContact O-N 2.69Å; I96-I98 PolarHBondContact O-N 3.5Å; I96-I104 HydrophobicContact CB-CD1 3.77Å; I96-I104 HydrophobicContact CB-CG1 4.11Å; I96-I104 HydrophobicContact CD1-CD1 4.08Å; I96-I104 HydrophobicContact CG1-CD1 4.49Å; I96-I104 HydrophobicContact CG2-CB 4.4Å; I96-I104 HydrophobicContact CG2-CD1 3.77Å; I96-I104 HydrophobicContact CG2-CG1 3.87Å; I96-I104 HydrophobicContact CG2-CG2 3.64Å; I96-E108 HydrophobicContact CG2-CB 4.43Å; I96-L109 HydrophobicContact CD1-CD1 4.43Å; I96-L109 HydrophobicContact CG2-CD1 4.4Å; I96-W112 HydrophobicContact CB-CB 4.49Å; I96-W112 HydrophobicContact CB-CG 4.44Å; I96-W112 HydrophobicContact CD1-CD2 4.39Å; I96-W112 HydrophobicContact CD1-CG 4.1Å; I96-W112 HydrophobicContact CG1-CB 4.09Å; I96-W112 HydrophobicContact CG1-CD2 3.58Å; I96-W112 HydrophobicContact CG1-CE3 4.03Å; I96-W112 HydrophobicContact CG1-CG 3.55Å; I96-W112 HydrophobicContact CG2-CB 3.97Å; I96-W112 HydrophobicContact CG2-CG 4.36Å; I96-W312 HydrophobicContact CD1-CZ3 4.04Å
97	D	94.3	Very high	92.5	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.011	30%	0.298	C	S	.	.			trans	-67.9	88.4	174.6	174.8	9.6	0	0	0	110.2	F93 N100 N101 L102 I104	F93-D97 HydrophobicContact CE1-CB 4.3Å; F93-D97 WeakPolarHBondContact O-CB 3.36Å; F93-D97 PolarHBondContact O-N 2.93Å; D97-N100 WeakPolarHBondContact OD1-CA 3.14Å; D97-N100 PolarHBondContact OD1-N 3.34Å; D97-N100 WeakPolarHBondContact OD2-CA 3.39Å; D97-N101 PolarHBondContact OD1-N 3.28Å; D97-L102 VanDerWaalsContact OD2-CA 3.23Å; D97-L102 WeakPolarHBondContact OD2-CA 3.48Å; D97-L102 PolarHBondContact OD2-N 2.61Å; D97-I104 HydrophobicContact CB-CG1 4.33Å
98	I	93.3	Very high	92.9	Very high	113 Å²	113	57 Å²	57	58%	0.579	28%	0.278	S	S	*	.	S	Bend	trans	-74.8	-40.9	-173.9	-70.3	168.5	0	0	0	109.8	I96 N100 E108	I96-I98 PolarHBondContact O-N 3.5Å; I98-N100 PolarHBondContact O-N 2.85Å; I98-N100 PolarHBondContact O-ND2 3.35Å; I98-E108 PolarHBondContact N-OE1 3.05Å
99	D	94.2	Very high	93.3	Very high	96 Å²	96	54.8 Å²	54.8	51%	0.513	27%	0.268	S	S	.	.	S	Bend	trans	-79.7	-7.9	-178.4	83.1	-3	0	0	0	113.4	N101 E108	D99-N101 VanDerWaalsContact C-N 3.32Å; D99-N101 WeakPolarHBondContact OD1-CB 3.46Å; D99-N101 PolarHBondContact OD1-N 2.93Å; D99-N101 PolarHBondContact OD1-ND2 3Å; D99-N101 PolarHBondContact OD2-ND2 3.18Å; D99-E108 PolarHBondContact N-OE1 3.36Å
100	N	93.2	Very high	93.5	Very high	112 Å²	112	56.5 Å²	56.5	60%	0.599	28%	0.275	S	S	*	.			trans	61.3	34.2	179.6	-64.4	-98.5	0	0	0	113.3	D97 I98 L102	D97-N100 WeakPolarHBondContact OD1-CA 3.14Å; D97-N100 PolarHBondContact OD1-N 3.34Å; D97-N100 WeakPolarHBondContact OD2-CA 3.39Å; I98-N100 PolarHBondContact O-N 2.85Å; I98-N100 PolarHBondContact O-ND2 3.35Å; N100-L102 VanDerWaalsContact C-N 3.25Å; N100-L102 PolarHBondContact O-N 3.16Å
101	N	94.6	Very high	93.7	Very high	74 Å²	74	59.2 Å²	59.2	40%	0.396	29%	0.288	S	S	.	.	S	Bend	trans	-83.4	2.4	178.5	74.4	30.7	0	0	0	113.6	D97 D99 K103	D97-N101 PolarHBondContact OD1-N 3.28Å; D99-N101 VanDerWaalsContact C-N 3.32Å; D99-N101 WeakPolarHBondContact OD1-CB 3.46Å; D99-N101 PolarHBondContact OD1-N 2.93Å; D99-N101 PolarHBondContact OD1-ND2 3Å; D99-N101 PolarHBondContact OD2-ND2 3.18Å; N101-K103 PolarHBondContact O-N 3.14Å; N101-K103 VanDerWaalsContact OD1-CA 3.32Å; N101-K103 WeakPolarHBondContact OD1-CA 3.45Å; N101-K103 VanDerWaalsContact OD1-CB 3.24Å; N101-K103 WeakPolarHBondContact OD1-CB 3.12Å; N101-K103 PolarHBondContact OD1-N 2.98Å; N101-K103 PolarHBondContact OD1-O 3.46Å
102	L	94.1	Very high	93.9	Very high	115 Å²	115	56.4 Å²	56.4	60%	0.602	28%	0.275	S	S	*	.	S	Bend	trans	69.1	15.9	-177.4	-52.6	174.8	0	0	0	114.7	F93 D97 N100	F93-L102 WeakPolarHBondContact CZ-O 3.33Å; D97-L102 VanDerWaalsContact OD2-CA 3.23Å; D97-L102 WeakPolarHBondContact OD2-CA 3.48Å; D97-L102 PolarHBondContact OD2-N 2.61Å; N100-L102 VanDerWaalsContact C-N 3.25Å; N100-L102 PolarHBondContact O-N 3.16Å
103	K	96.1	Very high	94	Very high	69 Å²	69	56.2 Å²	56.2	30%	0.3	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	156.8	170.9	-58.4	-174	162.8	-154	0	108.5	N101 D297 L300 T301	N101-K103 PolarHBondContact O-N 3.14Å; N101-K103 VanDerWaalsContact OD1-CA 3.32Å; N101-K103 WeakPolarHBondContact OD1-CA 3.45Å; N101-K103 VanDerWaalsContact OD1-CB 3.24Å; N101-K103 WeakPolarHBondContact OD1-CB 3.12Å; N101-K103 PolarHBondContact OD1-N 2.98Å; N101-K103 PolarHBondContact OD1-O 3.46Å; K103-D297 IonicContact NZ-OD2 3.63Å; K103-D297 PolarHBondContact NZ-OD2 3.48Å; K103-L300 CarbonylContact C-O 3.53Å; K103-L300 VanDerWaalsContact CA-O 3.31Å; K103-L300 WeakPolarHBondContact CA-O 3.48Å; K103-T301 HydrophobicContact CG-CG2 4.43Å
104	I	96	Very high	93.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.2	169.6	-67.3	167.5	0	0	0	107.1	F93 I96 D97 E108 L109 F289 S299 L300	F93-I104 HydrophobicContact CD2-CD1 3.33Å; F93-I104 HydrophobicContact CD2-CG1 4.01Å; F93-I104 HydrophobicContact CE2-CB 4.48Å; F93-I104 HydrophobicContact CE2-CD1 3.46Å; F93-I104 VanDerWaalsContact CE2-CD1 3.46Å; F93-I104 HydrophobicContact CE2-CG1 3.66Å; F93-I104 HydrophobicContact CG-CD1 4.01Å; F93-I104 HydrophobicContact CZ-CD1 4.22Å; F93-I104 HydrophobicContact CZ-CG1 3.96Å; I96-I104 HydrophobicContact CB-CD1 3.77Å; I96-I104 HydrophobicContact CB-CG1 4.11Å; I96-I104 HydrophobicContact CD1-CD1 4.08Å; I96-I104 HydrophobicContact CG1-CD1 4.49Å; I96-I104 HydrophobicContact CG2-CB 4.4Å; I96-I104 HydrophobicContact CG2-CD1 3.77Å; I96-I104 HydrophobicContact CG2-CG1 3.87Å; I96-I104 HydrophobicContact CG2-CG2 3.64Å; D97-I104 HydrophobicContact CB-CG1 4.33Å; I104-E108 WeakPolarHBondContact CA-OE2 3.25Å; I104-E108 HydrophobicContact CG2-CB 4.37Å; I104-L109 HydrophobicContact CG2-CB 3.79Å; I104-F289 WeakPolarHBondContact O-CZ 3.38Å; I104-S299 CarbonylContact O-C 3.59Å; I104-S299 WeakPolarHBondContact O-CA 3.47Å; I104-L300 HydrophobicContact CB-CB 4.32Å; I104-L300 PolarHBondContact N-O 3.33Å; I104-L300 PolarHBondContact O-N 3.34Å
105	D	96	Very high	93.9	Very high	54 Å²	54	59 Å²	59	29%	0.289	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	170.5	170	78	37.6	0	0	0	112.5	Q107 E108 L109 F289	D105-Q107 PolarHBondContact O-N 2.83Å; D105-Q107 WeakPolarHBondContact OD1-CA 2.75Å; D105-Q107 WeakPolarHBondContact OD1-CB 3.35Å; D105-Q107 PolarHBondContact OD1-N 2.77Å; D105-E108 PolarHBondContact N-OE2 3.03Å; D105-E108 PolarHBondContact O-N 3.07Å; D105-E108 PolarHBondContact OD1-N 3.48Å; D105-L109 PolarHBondContact O-N 2.74Å; D105-F289 VanDerWaalsContact C-CZ 3.46Å
106	K	95.3	Very high	93.8	Very high	82 Å²	82	53 Å²	53	36%	0.357	26%	0.262	S	S	.	.	H	α-helix	trans	-60.5	-34.5	-178.3	-71.8	-172.5	169.6	-163.3	0	112.9	K110 T285 E286 F289	K106-K110 VanDerWaalsContact O-CB 3.3Å; K106-K110 WeakPolarHBondContact O-CB 3.49Å; K106-K110 PolarHBondContact O-N 3.21Å; K106-T285 HydrophobicContact CB-CG2 4.13Å; K106-T285 HydrophobicContact CG-CG2 4.36Å; K106-T285 WeakPolarHBondContact O-CG2 3.3Å; K106-E286 IonicContact NZ-OE1 2.69Å; K106-E286 PolarHBondContact NZ-OE1 3.46Å; K106-E286 IonicContact NZ-OE2 2.7Å; K106-E286 PolarHBondContact NZ-OE2 3.14Å; K106-F289 HydrophobicContact CB-CE2 4.26Å; K106-F289 HydrophobicContact CB-CZ 4.31Å; K106-F289 HydrophobicContact CG-CD1 3.99Å; K106-F289 HydrophobicContact CG-CD2 3.93Å; K106-F289 HydrophobicContact CG-CE1 3.79Å; K106-F289 HydrophobicContact CG-CE2 3.74Å; K106-F289 HydrophobicContact CG-CG 4.05Å; K106-F289 HydrophobicContact CG-CZ 3.67Å
107	Q	95.8	Very high	93.6	Very high	95 Å²	95	53.1 Å²	53.1	44%	0.444	26%	0.262	S	S	.	.	H	α-helix	trans	-74.8	-42.6	-177.5	-175.8	57.7	50.5	0	0	110.4	D105 L109 K110 D111	D105-Q107 PolarHBondContact O-N 2.83Å; D105-Q107 WeakPolarHBondContact OD1-CA 2.75Å; D105-Q107 WeakPolarHBondContact OD1-CB 3.35Å; D105-Q107 PolarHBondContact OD1-N 2.77Å; Q107-L109 PolarHBondContact O-N 2.98Å; Q107-K110 PolarHBondContact O-N 3.1Å; Q107-D111 PolarHBondContact NE2-OD1 3.05Å; Q107-D111 PolarHBondContact NE2-OD2 3.43Å; Q107-D111 WeakPolarHBondContact O-CB 3.38Å; Q107-D111 VanDerWaalsContact O-CG 3.24Å; Q107-D111 PolarHBondContact O-N 3.08Å
108	E	96.3	Very high	93.4	Very high	12 Å²	12	55.2 Å²	55.2	6%	0.056	27%	0.273	C	S	.	.	H	α-helix	trans	-59.7	-44.9	174.5	-70.2	-179.7	131.9	0	0	112	I96 I98 D99 I104 D105 D111 W112	I96-E108 HydrophobicContact CG2-CB 4.43Å; I98-E108 PolarHBondContact N-OE1 3.05Å; D99-E108 PolarHBondContact N-OE1 3.36Å; I104-E108 WeakPolarHBondContact CA-OE2 3.25Å; I104-E108 HydrophobicContact CG2-CB 4.37Å; D105-E108 PolarHBondContact N-OE2 3.03Å; D105-E108 PolarHBondContact O-N 3.07Å; D105-E108 PolarHBondContact OD1-N 3.48Å; E108-D111 PolarHBondContact O-N 3.22Å; E108-W112 WeakPolarHBondContact O-CB 3.35Å; E108-W112 PolarHBondContact O-N 3.03Å
109	L	94.4	Very high	93.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-44	177	-174.5	56.3	0	0	0	111.9	I96 I104 D105 Q107 D111 W112 I113 T285 L288 F289 L300 W312	I96-L109 HydrophobicContact CD1-CD1 4.43Å; I96-L109 HydrophobicContact CG2-CD1 4.4Å; I104-L109 HydrophobicContact CG2-CB 3.79Å; D105-L109 PolarHBondContact O-N 2.74Å; Q107-L109 PolarHBondContact O-N 2.98Å; L109-D111 VanDerWaalsContact C-N 3.35Å; L109-D111 PolarHBondContact O-N 2.94Å; L109-W112 WeakPolarHBondContact O-CB 3.33Å; L109-W112 PolarHBondContact O-N 3.38Å; L109-I113 HydrophobicContact CD1-CD1 4.16Å; L109-I113 HydrophobicContact CD1-CG1 4.38Å; L109-I113 HydrophobicContact CG-CD1 3.92Å; L109-I113 WeakPolarHBondContact O-CG1 3.38Å; L109-I113 PolarHBondContact O-N 2.88Å; L109-T285 HydrophobicContact CB-CG2 4.24Å; L109-T285 HydrophobicContact CD2-CG2 4.21Å; L109-T285 HydrophobicContact CG-CG2 4.35Å; L109-L288 HydrophobicContact CD1-CD1 4.4Å; L109-L288 HydrophobicContact CD2-CB 3.94Å; L109-L288 HydrophobicContact CD2-CD1 3.94Å; L109-L288 HydrophobicContact CG-CD1 4.48Å; L109-F289 HydrophobicContact CB-CE2 4.04Å; L109-F289 HydrophobicContact CD2-CD2 3.76Å; L109-F289 HydrophobicContact CD2-CE2 3.59Å; L109-F289 HydrophobicContact CG-CE2 4.47Å; L109-L300 HydrophobicContact CD2-CD1 4.48Å; L109-W312 HydrophobicContact CD1-CH2 3.92Å; L109-W312 HydrophobicContact CD1-CZ3 4.02Å; L109-W312 HydrophobicContact CD2-CH2 4.07Å
110	K	92.8	Very high	93	Very high	37 Å²	37	49.1 Å²	49.1	16%	0.161	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-47	177	-170.5	-175.9	73.6	160.8	0	111.3	K106 Q107 W112 I113 I114 D278 A281 T282 T285	K106-K110 VanDerWaalsContact O-CB 3.3Å; K106-K110 WeakPolarHBondContact O-CB 3.49Å; K106-K110 PolarHBondContact O-N 3.21Å; Q107-K110 PolarHBondContact O-N 3.1Å; K110-W112 VanDerWaalsContact C-N 3.3Å; K110-W112 PolarHBondContact O-N 2.69Å; K110-I113 PolarHBondContact O-N 3.44Å; K110-I114 HydrophobicContact CG-CD1 4.1Å; K110-I114 WeakPolarHBondContact O-CG1 3.41Å; K110-I114 PolarHBondContact O-N 3.26Å; K110-D278 IonicContact NZ-OD1 3.77Å; K110-D278 PolarHBondContact NZ-OD1 3.06Å; K110-A281 HydrophobicContact CG-CB 3.82Å; K110-T282 WeakPolarHBondContact CD-OG1 3.41Å; K110-T285 VanDerWaalsContact CA-OG1 3.31Å; K110-T285 WeakPolarHBondContact CA-OG1 3.16Å; K110-T285 PolarHBondContact N-OG1 2.72Å
111	D	94.3	Very high	92.7	Very high	61 Å²	61	44.1 Å²	44.1	33%	0.326	22%	0.219	S	C	.	.	H	α-helix	trans	-63.6	-39.1	179.6	-71	-23.2	0	0	0	111.1	Q107 E108 L109 I114 Q115	Q107-D111 PolarHBondContact NE2-OD1 3.05Å; Q107-D111 PolarHBondContact NE2-OD2 3.43Å; Q107-D111 WeakPolarHBondContact O-CB 3.38Å; Q107-D111 VanDerWaalsContact O-CG 3.24Å; Q107-D111 PolarHBondContact O-N 3.08Å; E108-D111 PolarHBondContact O-N 3.22Å; L109-D111 VanDerWaalsContact C-N 3.35Å; L109-D111 PolarHBondContact O-N 2.94Å; D111-I114 PolarHBondContact O-N 3.32Å; D111-Q115 VanDerWaalsContact O-CG 3.32Å; D111-Q115 WeakPolarHBondContact O-CG 3.26Å; D111-Q115 PolarHBondContact O-N 3.09Å
112	W	94.2	Very high	92.5	Very high	48 Å²	48	42.6 Å²	42.6	18%	0.182	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-45.9	173.1	177.6	-97.8	0	0	0	112.7	I67 L92 K95 I96 E108 L109 K110 Q115 S116	I67-W112 PolarHBondContact O-NE1 3.14Å; L92-W112 HydrophobicContact CD1-CH2 3.84Å; L92-W112 HydrophobicContact CD1-CZ2 3.19Å; K95-W112 HydrophobicContact CB-CH2 4.06Å; K95-W112 HydrophobicContact CB-CZ3 3.78Å; K95-W112 HydrophobicContact CD-CH2 4.02Å; K95-W112 HydrophobicContact CD-CZ3 4.42Å; I96-W112 HydrophobicContact CB-CB 4.49Å; I96-W112 HydrophobicContact CB-CG 4.44Å; I96-W112 HydrophobicContact CD1-CD2 4.39Å; I96-W112 HydrophobicContact CD1-CG 4.1Å; I96-W112 HydrophobicContact CG1-CB 4.09Å; I96-W112 HydrophobicContact CG1-CD2 3.58Å; I96-W112 HydrophobicContact CG1-CE3 4.03Å; I96-W112 HydrophobicContact CG1-CG 3.55Å; I96-W112 HydrophobicContact CG2-CB 3.97Å; I96-W112 HydrophobicContact CG2-CG 4.36Å; E108-W112 WeakPolarHBondContact O-CB 3.35Å; E108-W112 PolarHBondContact O-N 3.03Å; L109-W112 WeakPolarHBondContact O-CB 3.33Å; L109-W112 PolarHBondContact O-N 3.38Å; K110-W112 VanDerWaalsContact C-N 3.3Å; K110-W112 PolarHBondContact O-N 2.69Å; W112-Q115 PolarHBondContact O-N 3.39Å; W112-S116 PolarHBondContact NE1-OG 3.23Å; W112-S116 WeakPolarHBondContact O-CB 3.47Å; W112-S116 PolarHBondContact O-N 2.73Å; W112-S116 PolarHBondContact O-OG 3.37Å
113	I	90.1	Very high	92.3	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-44.7	178.4	-73.1	165.7	0	0	0	110.4	L66 L109 K110 Q115 S116 F117 A281 E284 L288	L66-I113 HydrophobicContact CD1-CG2 4Å; L66-I113 HydrophobicContact CD2-CG2 3.76Å; L66-I113 HydrophobicContact CG-CG2 4Å; L109-I113 HydrophobicContact CD1-CD1 4.16Å; L109-I113 HydrophobicContact CD1-CG1 4.38Å; L109-I113 HydrophobicContact CG-CD1 3.92Å; L109-I113 WeakPolarHBondContact O-CG1 3.38Å; L109-I113 PolarHBondContact O-N 2.88Å; K110-I113 PolarHBondContact O-N 3.44Å; I113-Q115 PolarHBondContact O-N 3.49Å; I113-S116 WeakPolarHBondContact O-CB 3.02Å; I113-S116 PolarHBondContact O-N 2.87Å; I113-S116 VanDerWaalsContact O-N 3.1Å; I113-F117 HydrophobicContact CG2-CD2 3.91Å; I113-F117 HydrophobicContact CG2-CE2 3.46Å; I113-F117 VanDerWaalsContact CG2-CE2 3.46Å; I113-F117 HydrophobicContact CG2-CZ 4.38Å; I113-F117 VanDerWaalsContact O-CD2 3.23Å; I113-F117 WeakPolarHBondContact O-CD2 3.27Å; I113-F117 PolarHBondContact O-N 2.89Å; I113-A281 HydrophobicContact CB-CB 4.18Å; I113-A281 HydrophobicContact CG2-CB 3.61Å; I113-E284 HydrophobicContact CD1-CB 4.16Å; I113-E284 HydrophobicContact CD1-CG 3.84Å; I113-L288 HydrophobicContact CD1-CD1 4.09Å
114	I	89.8	Confident	91.8	Very high	31 Å²	31	38.1 Å²	38.1	16%	0.159	20%	0.196	C	C	.	.	H	α-helix	trans	-59.5	-45.9	175.2	-67.3	169.8	0	0	0	111.1	K110 D111 S116 F117 I118 F277 A281	K110-I114 HydrophobicContact CG-CD1 4.1Å; K110-I114 WeakPolarHBondContact O-CG1 3.41Å; K110-I114 PolarHBondContact O-N 3.26Å; D111-I114 PolarHBondContact O-N 3.32Å; I114-S116 PolarHBondContact O-N 3.05Å; I114-F117 PolarHBondContact O-N 3.21Å; I114-I118 HydrophobicContact CG2-CD1 4.15Å; I114-I118 WeakPolarHBondContact O-CG1 3.36Å; I114-I118 PolarHBondContact O-N 2.7Å; I114-I118 VanDerWaalsContact O-N 3.17Å; I114-F277 HydrophobicContact CG1-CB 4.15Å; I114-F277 HydrophobicContact CG2-CB 4.49Å; I114-F277 HydrophobicContact CG2-CD2 4.42Å; I114-A281 HydrophobicContact CD1-CB 4.2Å; I114-A281 HydrophobicContact CG1-CB 3.54Å
115	Q	92.5	Very high	91.5	Very high	108 Å²	108	38.1 Å²	38.1	51%	0.505	20%	0.196	S	C	.	.	H	α-helix	trans	-64.1	-31.5	176.8	-70.4	-53.6	-58.1	0	0	112.4	D111 W112 I113 I118 S119	D111-Q115 VanDerWaalsContact O-CG 3.32Å; D111-Q115 WeakPolarHBondContact O-CG 3.26Å; D111-Q115 PolarHBondContact O-N 3.09Å; W112-Q115 PolarHBondContact O-N 3.39Å; I113-Q115 PolarHBondContact O-N 3.49Å; Q115-I118 PolarHBondContact O-N 3.1Å; Q115-S119 WeakPolarHBondContact O-CB 3.42Å; Q115-S119 PolarHBondContact O-N 3.19Å; Q115-S119 PolarHBondContact O-OG 3.45Å
116	S	90.5	Very high	91.2	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.014	20%	0.2	C	C	.	.	H	α-helix	trans	-71	-42.3	178.1	-63.6	0	0	0	0	111.8	L66 W112 I113 I114 I118 S119 L120	L66-S116 WeakPolarHBondContact O-CB 3.42Å; L66-S116 PolarHBondContact O-OG 3Å; L66-S116 VanDerWaalsContact O-OG 3.1Å; W112-S116 PolarHBondContact NE1-OG 3.23Å; W112-S116 WeakPolarHBondContact O-CB 3.47Å; W112-S116 PolarHBondContact O-N 2.73Å; W112-S116 PolarHBondContact O-OG 3.37Å; I113-S116 WeakPolarHBondContact O-CB 3.02Å; I113-S116 PolarHBondContact O-N 2.87Å; I113-S116 VanDerWaalsContact O-N 3.1Å; I114-S116 PolarHBondContact O-N 3.05Å; S116-I118 VanDerWaalsContact C-N 3.35Å; S116-I118 PolarHBondContact O-N 2.89Å; S116-S119 WeakPolarHBondContact O-CB 3.45Å; S116-S119 PolarHBondContact O-N 3.44Å; S116-S119 VanDerWaalsContact O-N 3.15Å; S116-L120 WeakPolarHBondContact O-CG 3.33Å; S116-L120 PolarHBondContact O-N 3.27Å
117	F	87.9	Confident	91	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.018	21%	0.207	C	C	.	.	H	α-helix	trans	-55.7	-49.5	169.9	-77.3	-65.3	0	0	0	111.9	H49 H51 L66 I113 I114 S119 L120 D121 F277 T280	H49-F117 HydrophobicContact CB-CE1 4.28Å; H51-F117 AromaticContact CE1-CE1 3.71Å; H51-F117 AromaticContact CE1-CZ 3.51Å; H51-F117 AromaticContact NE2-CE1 3.37Å; H51-F117 WeakPolarHBondContact NE2-CE1 3.38Å; H51-F117 AromaticContact NE2-CZ 3.17Å; H51-F117 WeakPolarHBondContact NE2-CZ 3.31Å; L66-F117 HydrophobicContact CD1-CD1 3.6Å; L66-F117 HydrophobicContact CD1-CD2 3.62Å; L66-F117 HydrophobicContact CD1-CE1 3.52Å; L66-F117 HydrophobicContact CD1-CE2 3.56Å; L66-F117 HydrophobicContact CD1-CG 3.63Å; L66-F117 HydrophobicContact CD1-CZ 3.48Å; L66-F117 VanDerWaalsContact CD1-CZ 3.48Å; L66-F117 HydrophobicContact CD2-CE1 4.21Å; L66-F117 HydrophobicContact CD2-CE2 3.98Å; L66-F117 HydrophobicContact CD2-CZ 3.6Å; L66-F117 HydrophobicContact CG-CE1 4.46Å; L66-F117 HydrophobicContact CG-CE2 4.38Å; L66-F117 HydrophobicContact CG-CZ 4.17Å; I113-F117 HydrophobicContact CG2-CD2 3.91Å; I113-F117 HydrophobicContact CG2-CE2 3.46Å; I113-F117 VanDerWaalsContact CG2-CE2 3.46Å; I113-F117 HydrophobicContact CG2-CZ 4.38Å; I113-F117 VanDerWaalsContact O-CD2 3.23Å; I113-F117 WeakPolarHBondContact O-CD2 3.27Å; I113-F117 PolarHBondContact O-N 2.89Å; I114-F117 PolarHBondContact O-N 3.21Å; F117-S119 PolarHBondContact O-N 2.9Å; F117-L120 PolarHBondContact O-N 3.48Å; F117-L120 VanDerWaalsContact O-N 3.16Å; F117-D121 PolarHBondContact O-N 2.98Å; F117-F277 HydrophobicContact CB-CB 4.48Å; F117-F277 HydrophobicContact CB-CD1 3.56Å; F117-F277 HydrophobicContact CB-CD2 3.9Å; F117-F277 HydrophobicContact CB-CE1 3.6Å; F117-F277 HydrophobicContact CB-CE2 3.93Å; F117-F277 HydrophobicContact CB-CG 3.71Å; F117-F277 HydrophobicContact CB-CZ 3.77Å; F117-F277 AromaticContact CD1-CD1 3.97Å; F117-F277 HydrophobicContact CD1-CD1 3.97Å; F117-F277 HydrophobicContact CD1-CE1 4.12Å; F117-F277 HydrophobicContact CD2-CB 3.76Å; F117-F277 AromaticContact CD2-CD1 3.78Å; F117-F277 HydrophobicContact CD2-CD1 3.78Å; F117-F277 AromaticContact CD2-CG 3.84Å; F117-F277 HydrophobicContact CD2-CG 3.84Å; F117-F277 HydrophobicContact CE2-CB 4.32Å; F117-F277 HydrophobicContact CE2-CD1 4.45Å; F117-F277 HydrophobicContact CG-CB 4.33Å; F117-F277 AromaticContact CG-CD1 3.52Å; F117-F277 HydrophobicContact CG-CD1 3.52Å; F117-F277 AromaticContact CG-CE1 3.89Å; F117-F277 HydrophobicContact CG-CE1 3.89Å; F117-F277 AromaticContact CG-CG 3.89Å; F117-F277 HydrophobicContact CG-CG 3.89Å; F117-T280 HydrophobicContact CE2-CG2 4.29Å; F117-T280 HydrophobicContact CZ-CG2 3.81Å
118	I	90.2	Very high	90.7	Very high	46 Å²	46	39.2 Å²	39.2	24%	0.236	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-38.3	178.4	-65	166.5	0	0	0	111	I114 Q115 S116 L122 Y207 F277	I114-I118 HydrophobicContact CG2-CD1 4.15Å; I114-I118 WeakPolarHBondContact O-CG1 3.36Å; I114-I118 PolarHBondContact O-N 2.7Å; I114-I118 VanDerWaalsContact O-N 3.17Å; Q115-I118 PolarHBondContact O-N 3.1Å; S116-I118 VanDerWaalsContact C-N 3.35Å; S116-I118 PolarHBondContact O-N 2.89Å; I118-L122 VanDerWaalsContact O-CB 3.3Å; I118-L122 WeakPolarHBondContact O-CB 3.3Å; I118-L122 PolarHBondContact O-N 3.21Å; I118-Y207 HydrophobicContact CG1-CE1 4.38Å; I118-F277 HydrophobicContact CG1-CD2 4.21Å; I118-F277 HydrophobicContact CG1-CE2 3.78Å
119	S	91	Very high	90.5	Very high	52 Å²	52	38.9 Å²	38.9	36%	0.364	20%	0.201	S	C	.	.	H	α-helix	trans	-69.3	-38	178.8	-60.9	0	0	0	0	112.3	G69 Q115 S116 F117 L122 E123	G69-S119 VanDerWaalsContact O-CB 3.29Å; G69-S119 WeakPolarHBondContact O-CB 3.31Å; Q115-S119 WeakPolarHBondContact O-CB 3.42Å; Q115-S119 PolarHBondContact O-N 3.19Å; Q115-S119 PolarHBondContact O-OG 3.45Å; S116-S119 WeakPolarHBondContact O-CB 3.45Å; S116-S119 PolarHBondContact O-N 3.44Å; S116-S119 VanDerWaalsContact O-N 3.15Å; F117-S119 PolarHBondContact O-N 2.9Å; S119-L122 PolarHBondContact O-N 3.26Å; S119-E123 WeakPolarHBondContact O-CB 3.31Å; S119-E123 PolarHBondContact O-N 2.63Å
120	L	87.4	Confident	90.5	Very high	30 Å²	30	46.1 Å²	46.1	16%	0.157	23%	0.232	C	C	.	.	H	α-helix	trans	-68	-45.8	175.9	-72	170.6	0	0	0	111.5	D65 L66 S116 F117 L122 E123 A124	D65-L120 HydrophobicContact CB-CD1 4.23Å; D65-L120 HydrophobicContact CB-CD2 4.05Å; L66-L120 HydrophobicContact CD1-CD1 4.43Å; S116-L120 WeakPolarHBondContact O-CG 3.33Å; S116-L120 PolarHBondContact O-N 3.27Å; F117-L120 PolarHBondContact O-N 3.48Å; F117-L120 VanDerWaalsContact O-N 3.16Å; L120-L122 VanDerWaalsContact C-N 3.26Å; L120-L122 PolarHBondContact O-N 3.09Å; L120-E123 PolarHBondContact O-N 3.49Å; L120-E123 VanDerWaalsContact O-N 3.12Å; L120-A124 WeakPolarHBondContact O-CB 3.36Å; L120-A124 PolarHBondContact O-N 2.85Å
121	D	87.7	Confident	90.4	Very high	7 Å²	7	50 Å²	50	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-58.6	-42	174.9	-77.1	3.4	0	0	0	110.6	H49 F117 A124 S125 V199 N206 F277	H49-D121 IonicContact CE1-OD1 3.58Å; H49-D121 PolarHBondContact CE1-OD1 3.28Å; H49-D121 IonicContact NE2-OD1 3.58Å; F117-D121 PolarHBondContact O-N 2.98Å; D121-A124 PolarHBondContact O-N 3.36Å; D121-S125 WeakPolarHBondContact O-CB 3.46Å; D121-S125 PolarHBondContact O-N 3.4Å; D121-S125 PolarHBondContact O-OG 3.03Å; D121-V199 HydrophobicContact CB-CG1 3.51Å; D121-N206 PolarHBondContact OD2-ND2 2.81Å; D121-F277 WeakPolarHBondContact OD2-CZ 3.06Å
122	L	90.7	Very high	90.3	Very high	42 Å²	42	48.7 Å²	48.7	22%	0.22	24%	0.241	C	C	.	.	H	α-helix	trans	-66.1	-39	174.4	-178.3	64.7	0	0	0	113.1	I118 S119 L120 S125 K126 E195 V199	I118-L122 VanDerWaalsContact O-CB 3.3Å; I118-L122 WeakPolarHBondContact O-CB 3.3Å; I118-L122 PolarHBondContact O-N 3.21Å; S119-L122 PolarHBondContact O-N 3.26Å; L120-L122 VanDerWaalsContact C-N 3.26Å; L120-L122 PolarHBondContact O-N 3.09Å; L122-S125 PolarHBondContact O-OG 3.46Å; L122-K126 VanDerWaalsContact O-CG 3.3Å; L122-K126 WeakPolarHBondContact O-CG 3.47Å; L122-K126 PolarHBondContact O-N 3.38Å; L122-E195 HydrophobicContact CD1-CB 4.04Å; L122-V199 HydrophobicContact CB-CG2 4.16Å; L122-V199 HydrophobicContact CD1-CG2 3.8Å
123	E	88.8	Confident	90.4	Very high	40 Å²	40	47.3 Å²	47.3	19%	0.187	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-43.4	175.1	-172.9	175.5	154.2	0	0	111.1	S70 H71 E72 S119 L120	S70-E123 WeakPolarHBondContact CA-OE2 3.13Å; S70-E123 WeakPolarHBondContact CB-OE2 3.32Å; S70-E123 PolarHBondContact OG-OE2 3.41Å; H71-E123 PolarHBondContact N-OE1 2.85Å; H71-E123 PolarHBondContact N-OE2 3.12Å; E72-E123 PolarHBondContact N-OE1 2.73Å; E72-E123 VanDerWaalsContact N-OE1 3.09Å; S119-E123 WeakPolarHBondContact O-CB 3.31Å; S119-E123 PolarHBondContact O-N 2.63Å; L120-E123 PolarHBondContact O-N 3.49Å; L120-E123 VanDerWaalsContact O-N 3.12Å
124	A	85.9	Confident	90.5	Very high	50 Å²	50	51.3 Å²	51.3	41%	0.413	27%	0.271	S	S	.	.	H	α-helix	trans	-70.8	-31.6	-179.1	0	0	0	0	0	113.3	L120 D121 P127 R128	L120-A124 WeakPolarHBondContact O-CB 3.36Å; L120-A124 PolarHBondContact O-N 2.85Å; D121-A124 PolarHBondContact O-N 3.36Å; A124-P127 WeakPolarHBondContact O-CD 3.36Å; A124-R128 PolarHBondContact O-NH1 3.17Å
125	S	89.3	Confident	90.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-78.3	-28.3	179.9	74.2	0	0	0	0	113.4	D121 L122 R128 F129 V199 E202	D121-S125 WeakPolarHBondContact O-CB 3.46Å; D121-S125 PolarHBondContact O-N 3.4Å; D121-S125 PolarHBondContact O-OG 3.03Å; L122-S125 PolarHBondContact O-OG 3.46Å; S125-R128 CarbonylContact O-C 3.46Å; S125-R128 WeakPolarHBondContact O-CA 3.37Å; S125-R128 WeakPolarHBondContact O-CB 3.27Å; S125-R128 PolarHBondContact O-N 3.11Å; S125-F129 PolarHBondContact O-N 3.34Å; S125-V199 WeakPolarHBondContact OG-CG2 3.48Å; S125-E202 WeakPolarHBondContact CA-OE2 3.2Å; S125-E202 WeakPolarHBondContact CB-OE2 3.45Å
126	K	90.9	Very high	90.9	Very high	83 Å²	83	52.9 Å²	52.9	36%	0.361	30%	0.297	S	S	.	.	H	α-helix	trans	-49.1	-45.4	-174.7	-87	166	-170.3	166	0	115.5	L122 R128 K130	L122-K126 VanDerWaalsContact O-CG 3.3Å; L122-K126 WeakPolarHBondContact O-CG 3.47Å; L122-K126 PolarHBondContact O-N 3.38Å; K126-R128 VanDerWaalsContact C-N 3.35Å; K126-K130 WeakPolarHBondContact O-CG 3.38Å; K126-K130 PolarHBondContact O-N 3.32Å
127	P	90.1	Very high	91.2	Very high	77 Å²	77	56.4 Å²	56.4	50%	0.5	32%	0.315	S	S	.	.	H	α-helix	trans	-62.1	-43.7	176.8	-22.5	34.5	0	0	0	111.7	A124 K130 E131	A124-P127 WeakPolarHBondContact O-CD 3.36Å; P127-K130 PolarHBondContact O-N 3.37Å; P127-E131 PolarHBondContact O-N 2.88Å
128	R	88.8	Confident	91.6	Very high	94 Å²	94	58 Å²	58	36%	0.355	33%	0.333	S	S	.	.	H	α-helix	trans	-68	-43.5	179.4	-65.8	-173.4	-62.1	-99	2.8	111.3	A124 S125 K126 K130 E131 Y132 F198 E202	A124-R128 PolarHBondContact O-NH1 3.17Å; S125-R128 CarbonylContact O-C 3.46Å; S125-R128 WeakPolarHBondContact O-CA 3.37Å; S125-R128 WeakPolarHBondContact O-CB 3.27Å; S125-R128 PolarHBondContact O-N 3.11Å; K126-R128 VanDerWaalsContact C-N 3.35Å; R128-K130 VanDerWaalsContact C-N 3.26Å; R128-K130 PolarHBondContact O-N 2.84Å; R128-E131 WeakPolarHBondContact O-CA 3.49Å; R128-E131 WeakPolarHBondContact O-CB 3.34Å; R128-E131 PolarHBondContact O-N 3.34Å; R128-Y132 WeakPolarHBondContact O-CD2 3.32Å; R128-Y132 PolarHBondContact O-N 3.49Å; R128-F198 HydrophobicContact CB-CE1 4.24Å; R128-E202 WeakPolarHBondContact CD-OE1 3.18Å; R128-E202 IonicContact CZ-OE1 3.82Å; R128-E202 IonicContact CZ-OE2 3.59Å; R128-E202 VanDerWaalsContact NE-CD 3.27Å; R128-E202 IonicContact NE-OE1 3.47Å; R128-E202 PolarHBondContact NE-OE1 3.39Å; R128-E202 IonicContact NE-OE2 2.75Å; R128-E202 PolarHBondContact NE-OE2 2.95Å; R128-E202 VanDerWaalsContact NE-OE2 3.16Å; R128-E202 IonicContact NH2-OE1 3.58Å; R128-E202 IonicContact NH2-OE2 3.49Å; R128-E202 PolarHBondContact NH2-OE2 3.42Å
129	F	93.4	Very high	92	Very high	5 Å²	5	58.8 Å²	58.8	2%	0.022	34%	0.335	C	S	.	.	H	α-helix	trans	-48.9	-48.5	174.7	-178	-91.9	0	0	0	111.9	S125 E131 Y132 D133 G138 V140 E195 F198	S125-F129 PolarHBondContact O-N 3.34Å; F129-E131 PolarHBondContact O-N 2.75Å; F129-Y132 PolarHBondContact O-N 3.07Å; F129-Y132 VanDerWaalsContact O-N 3.08Å; F129-D133 HydrophobicContact CE1-CB 4.15Å; F129-D133 PolarHBondContact O-N 2.89Å; F129-G138 WeakPolarHBondContact CZ-O 3.47Å; F129-V140 HydrophobicContact CD2-CG2 4.01Å; F129-V140 HydrophobicContact CE2-CG2 3.75Å; F129-V140 HydrophobicContact CZ-CG2 4.26Å; F129-E195 HydrophobicContact CD1-CG 3.9Å; F129-E195 HydrophobicContact CD2-CG 4.26Å; F129-E195 HydrophobicContact CE1-CG 3.74Å; F129-E195 HydrophobicContact CE2-CB 4.44Å; F129-E195 HydrophobicContact CE2-CG 4.1Å; F129-E195 HydrophobicContact CG-CG 4.16Å; F129-E195 HydrophobicContact CZ-CG 3.84Å; F129-F198 HydrophobicContact CB-CD1 3.92Å; F129-F198 HydrophobicContact CB-CE1 4.09Å; F129-F198 HydrophobicContact CD2-CB 3.57Å; F129-F198 AromaticContact CD2-CD1 3.77Å; F129-F198 HydrophobicContact CD2-CD1 3.77Å; F129-F198 HydrophobicContact CD2-CD2 4.19Å; F129-F198 AromaticContact CD2-CG 3.57Å; F129-F198 HydrophobicContact CD2-CG 3.57Å; F129-F198 HydrophobicContact CE2-CB 3.93Å; F129-F198 HydrophobicContact CE2-CG 4.3Å; F129-F198 HydrophobicContact CG-CD1 4.37Å
130	K	94.1	Very high	92.3	Very high	152 Å²	152	56.3 Å²	56.3	66%	0.661	32%	0.318	S	S	*	.	H	α-helix	trans	-64.4	-22.3	177.5	-67.9	171.8	-176.8	170.9	0	114.2	K126 P127 R128	K126-K130 WeakPolarHBondContact O-CG 3.38Å; K126-K130 PolarHBondContact O-N 3.32Å; P127-K130 PolarHBondContact O-N 3.37Å; R128-K130 VanDerWaalsContact C-N 3.26Å; R128-K130 PolarHBondContact O-N 2.84Å
131	E	91.5	Very high	92.7	Very high	118 Å²	118	55.4 Å²	55.4	55%	0.551	32%	0.315	S	S	*	.	H	α-helix	trans	-82.3	-20.6	176	-67.2	-175.7	-166.4	0	0	113.2	P127 R128 F129 K148	P127-E131 PolarHBondContact O-N 2.88Å; R128-E131 WeakPolarHBondContact O-CA 3.49Å; R128-E131 WeakPolarHBondContact O-CB 3.34Å; R128-E131 PolarHBondContact O-N 3.34Å; F129-E131 PolarHBondContact O-N 2.75Å; E131-K148 PolarHBondContact O-NZ 3.16Å
132	Y	92.4	Very high	93.1	Very high	33 Å²	33	57.4 Å²	57.4	13%	0.129	32%	0.322	C	S	.	.	H	α-helix	trans	-94.2	-37.5	176.3	-74.2	-79.5	0	0	0	112.7	R128 F129 A134 E144 Y145 K148 I149 F198	R128-Y132 WeakPolarHBondContact O-CD2 3.32Å; R128-Y132 PolarHBondContact O-N 3.49Å; F129-Y132 PolarHBondContact O-N 3.07Å; F129-Y132 VanDerWaalsContact O-N 3.08Å; Y132-A134 PolarHBondContact O-N 2.9Å; Y132-E144 WeakPolarHBondContact O-CB 3.43Å; Y132-Y145 AromaticContact CD1-CD2 3.93Å; Y132-Y145 HydrophobicContact CD1-CD2 3.93Å; Y132-Y145 AromaticContact CE1-CD2 3.7Å; Y132-Y145 HydrophobicContact CE1-CD2 3.7Å; Y132-Y145 HydrophobicContact CE1-CE2 4.01Å; Y132-K148 HydrophobicContact CD1-CB 4.14Å; Y132-K148 HydrophobicContact CD1-CG 3.8Å; Y132-K148 HydrophobicContact CE1-CB 4.3Å; Y132-K148 HydrophobicContact CE1-CG 3.76Å; Y132-I149 HydrophobicContact CE1-CD1 3.69Å; Y132-I149 HydrophobicContact CE1-CG1 4.01Å; Y132-I149 WeakPolarHBondContact OH-CD1 3.47Å; Y132-F198 HydrophobicContact CD2-CE1 4.42Å; Y132-F198 AromaticContact CD2-CE2 3.66Å; Y132-F198 HydrophobicContact CD2-CE2 3.66Å; Y132-F198 AromaticContact CD2-CZ 3.32Å; Y132-F198 HydrophobicContact CD2-CZ 3.32Å; Y132-F198 HydrophobicContact CE2-CE2 4.17Å; Y132-F198 AromaticContact CE2-CZ 3.65Å; Y132-F198 HydrophobicContact CE2-CZ 3.65Å; Y132-F198 HydrophobicContact CG-CE2 4.02Å; Y132-F198 HydrophobicContact CG-CZ 4.15Å
133	D	95.6	Very high	93.3	Very high	20 Å²	20	58.3 Å²	58.3	11%	0.107	33%	0.332	C	S	.	.			trans	-71.7	87.4	171.6	175.9	7.5	0	0	0	109.3	F129 G136 D137 G138 V140	F129-D133 HydrophobicContact CE1-CB 4.15Å; F129-D133 PolarHBondContact O-N 2.89Å; D133-G136 WeakPolarHBondContact OD1-CA 3.18Å; D133-G136 PolarHBondContact OD1-N 3.21Å; D133-G136 WeakPolarHBondContact OD2-CA 3.19Å; D133-D137 PolarHBondContact OD1-N 2.83Å; D133-D137 VanDerWaalsContact OD1-N 3.13Å; D133-G138 VanDerWaalsContact OD2-CA 3.29Å; D133-G138 WeakPolarHBondContact OD2-CA 3.43Å; D133-G138 PolarHBondContact OD2-N 2.75Å; D133-V140 HydrophobicContact CB-CG2 4.32Å
134	A	92.7	Very high	93.6	Very high	84 Å²	84	57.6 Å²	57.6	69%	0.694	33%	0.329	S	S	*	.	S	Bend	trans	-81.7	-29.9	-169.2	0	0	0	0	0	112.2	Y132 E144	Y132-A134 PolarHBondContact O-N 2.9Å; A134-E144 HydrophobicContact CB-CG 4.34Å; A134-E144 PolarHBondContact N-OE1 3.11Å
135	D	95.4	Very high	93.9	Very high	115 Å²	115	56.1 Å²	56.1	62%	0.615	31%	0.313	S	S	*	.	S	Bend	trans	-90.7	-12.1	176.4	75.6	11.2	0	0	0	114.2	D137 E144	D135-D137 VanDerWaalsContact OD1-CB 3.29Å; D135-D137 WeakPolarHBondContact OD1-CB 3.09Å; D135-D137 PolarHBondContact OD1-N 2.65Å; D135-D137 VanDerWaalsContact OD1-N 3.09Å; D135-E144 PolarHBondContact N-OE1 2.69Å; D135-E144 VanDerWaalsContact N-OE1 3.14Å
136	G	95.2	Very high	94	Very high	57 Å²	57	56.2 Å²	56.2	59%	0.588	31%	0.313	S	S	*	.			trans	76.3	27.4	174.1	0	0	0	0	0	113.1	D133 G138	D133-G136 WeakPolarHBondContact OD1-CA 3.18Å; D133-G136 PolarHBondContact OD1-N 3.21Å; D133-G136 WeakPolarHBondContact OD2-CA 3.19Å; G136-G138 VanDerWaalsContact C-N 3.27Å
137	D	96.7	Very high	94	Very high	76 Å²	76	55.9 Å²	55.9	41%	0.406	32%	0.315	S	S	.	.	S	Bend	trans	-82.4	-3.7	179.9	88.4	-10.1	0	0	0	113.8	D133 D135 Q139	D133-D137 PolarHBondContact OD1-N 2.83Å; D133-D137 VanDerWaalsContact OD1-N 3.13Å; D135-D137 VanDerWaalsContact OD1-CB 3.29Å; D135-D137 WeakPolarHBondContact OD1-CB 3.09Å; D135-D137 PolarHBondContact OD1-N 2.65Å; D135-D137 VanDerWaalsContact OD1-N 3.09Å; D137-Q139 WeakPolarHBondContact OD1-CB 3.31Å; D137-Q139 PolarHBondContact OD1-N 3.23Å; D137-Q139 PolarHBondContact OD2-NE2 2.94Å
138	G	96.2	Very high	94	Very high	37 Å²	37	56.4 Å²	56.4	38%	0.381	31%	0.309	S	S	.	.	S	Bend	trans	87.5	16.4	179.2	0	0	0	0	0	113.7	F129 D133 G136	F129-G138 WeakPolarHBondContact CZ-O 3.47Å; D133-G138 VanDerWaalsContact OD2-CA 3.29Å; D133-G138 WeakPolarHBondContact OD2-CA 3.43Å; D133-G138 PolarHBondContact OD2-N 2.75Å; G136-G138 VanDerWaalsContact C-N 3.27Å
139	Q	97.8	Very high	94	Very high	63 Å²	63	52.3 Å²	52.3	29%	0.294	30%	0.295	S	S	.	.	S	Bend	trans	-143.4	155.1	-179.4	-43.6	170.7	67	0	0	109.2	D137 Y192 L193	D137-Q139 WeakPolarHBondContact OD1-CB 3.31Å; D137-Q139 PolarHBondContact OD1-N 3.23Å; D137-Q139 PolarHBondContact OD2-NE2 2.94Å; Q139-Y192 HydrophobicContact CB-CG 4.48Å; Q139-L193 CarbonylContact C-O 3.53Å; Q139-L193 WeakPolarHBondContact CA-O 3.3Å
140	V	97.5	Very high	93.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	115.8	173	178.6	0	0	0	0	109.3	F129 D133 F182 Y192 L193 F198	F129-V140 HydrophobicContact CD2-CG2 4.01Å; F129-V140 HydrophobicContact CE2-CG2 3.75Å; F129-V140 HydrophobicContact CZ-CG2 4.26Å; D133-V140 HydrophobicContact CB-CG2 4.32Å; V140-F182 WeakPolarHBondContact O-CZ 3.43Å; V140-Y192 WeakPolarHBondContact O-CA 3.07Å; V140-L193 HydrophobicContact CB-CB 4.39Å; V140-L193 PolarHBondContact N-O 2.92Å; V140-L193 PolarHBondContact O-N 3.23Å; V140-F198 HydrophobicContact CG2-CD2 4.08Å; V140-F198 HydrophobicContact CG2-CE2 4.4Å
141	A	96.9	Very high	93.4	Very high	11 Å²	11	45.7 Å²	45.7	9%	0.091	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	149.5	172	0	0	0	0	0	111.5	S143 E144 Y145 Y192	A141-S143 PolarHBondContact O-N 3.18Å; A141-S143 VanDerWaalsContact O-N 3.15Å; A141-E144 HydrophobicContact CB-CG 4.08Å; A141-E144 WeakPolarHBondContact CB-OE2 3.44Å; A141-E144 PolarHBondContact N-OE2 2.92Å; A141-E144 WeakPolarHBondContact O-CB 3.45Å; A141-E144 PolarHBondContact O-N 3.06Å; A141-Y145 PolarHBondContact O-N 3.45Å; A141-Y192 HydrophobicContact CB-CD1 3.68Å; A141-Y192 HydrophobicContact CB-CE1 3.73Å
142	W	95.5	Very high	93.3	Very high	48 Å²	48	41.4 Å²	41.4	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-54.7	-35.9	173.7	176.1	-111	0	0	0	113.1	E144 Y145 T146 E178 K179 F182	W142-E144 VanDerWaalsContact C-N 3.35Å; W142-Y145 AromaticContact CE3-CD1 3.95Å; W142-Y145 HydrophobicContact CE3-CD1 3.95Å; W142-Y145 HydrophobicContact CH2-CD1 4.21Å; W142-Y145 HydrophobicContact CH2-CE1 4.33Å; W142-Y145 AromaticContact CZ3-CD1 3.56Å; W142-Y145 HydrophobicContact CZ3-CD1 3.56Å; W142-Y145 AromaticContact CZ3-CE1 3.9Å; W142-Y145 HydrophobicContact CZ3-CE1 3.9Å; W142-T146 HydrophobicContact CD2-CG2 3.85Å; W142-T146 HydrophobicContact CE3-CG2 4.26Å; W142-T146 HydrophobicContact CG-CG2 4.5Å; W142-T146 HydrophobicContact CH2-CG2 3.78Å; W142-T146 HydrophobicContact CZ2-CG2 3.31Å; W142-T146 HydrophobicContact CZ3-CG2 4.23Å; W142-T146 WeakPolarHBondContact O-CB 3.28Å; W142-T146 WeakPolarHBondContact O-CG2 3.39Å; W142-T146 PolarHBondContact O-N 3.23Å; W142-T146 PolarHBondContact O-OG1 2.87Å; W142-E178 HydrophobicContact CH2-CB 3.81Å; W142-E178 HydrophobicContact CZ3-CB 4.34Å; W142-K179 HydrophobicContact CD2-CD 3.64Å; W142-K179 HydrophobicContact CE3-CD 3.87Å; W142-K179 HydrophobicContact CG-CD 4.12Å; W142-K179 HydrophobicContact CH2-CB 3.8Å; W142-K179 HydrophobicContact CH2-CD 4.23Å; W142-K179 HydrophobicContact CZ2-CB 3.84Å; W142-K179 HydrophobicContact CZ2-CD 4.03Å; W142-K179 HydrophobicContact CZ2-CG 4.43Å; W142-K179 HydrophobicContact CZ3-CB 4.33Å; W142-K179 HydrophobicContact CZ3-CD 4.16Å; W142-F182 HydrophobicContact CB-CE1 4.44Å; W142-F182 HydrophobicContact CB-CE2 4.41Å; W142-F182 HydrophobicContact CB-CZ 4.2Å; W142-F182 HydrophobicContact CE3-CB 3.9Å; W142-F182 HydrophobicContact CE3-CD1 4.46Å; W142-F182 AromaticContact CE3-CD2 3.65Å; W142-F182 HydrophobicContact CE3-CD2 3.65Å; W142-F182 HydrophobicContact CE3-CE2 4.25Å; W142-F182 AromaticContact CE3-CG 3.75Å; W142-F182 HydrophobicContact CE3-CG 3.75Å; W142-F182 HydrophobicContact CZ3-CB 3.9Å; W142-F182 HydrophobicContact CZ3-CD2 4.21Å; W142-F182 HydrophobicContact CZ3-CG 4.24Å
143	S	94.5	Very high	93	Very high	62 Å²	62	43 Å²	43	43%	0.434	26%	0.259	S	S	.	.	H	α-helix	trans	-68.3	-32.9	176.3	49.4	0	0	0	0	113.1	A141 T146 N147	A141-S143 PolarHBondContact O-N 3.18Å; A141-S143 VanDerWaalsContact O-N 3.15Å; S143-T146 WeakPolarHBondContact CA-OG1 3.38Å; S143-T146 PolarHBondContact O-OG1 3.01Å; S143-N147 WeakPolarHBondContact O-CB 3.11Å; S143-N147 PolarHBondContact O-N 2.72Å
144	E	94.7	Very high	92.5	Very high	25 Å²	25	45.2 Å²	45.2	12%	0.117	28%	0.28	C	S	.	.	H	α-helix	trans	-72.2	-47.1	177.1	-66.1	174.8	121.9	0	0	110.3	Y132 A134 D135 A141 W142 T146 N147 K148	Y132-E144 WeakPolarHBondContact O-CB 3.43Å; A134-E144 HydrophobicContact CB-CG 4.34Å; A134-E144 PolarHBondContact N-OE1 3.11Å; D135-E144 PolarHBondContact N-OE1 2.69Å; D135-E144 VanDerWaalsContact N-OE1 3.14Å; A141-E144 HydrophobicContact CB-CG 4.08Å; A141-E144 WeakPolarHBondContact CB-OE2 3.44Å; A141-E144 PolarHBondContact N-OE2 2.92Å; A141-E144 WeakPolarHBondContact O-CB 3.45Å; A141-E144 PolarHBondContact O-N 3.06Å; W142-E144 VanDerWaalsContact C-N 3.35Å; E144-T146 PolarHBondContact O-N 3.49Å; E144-N147 PolarHBondContact O-N 3.04Å; E144-K148 WeakPolarHBondContact O-CB 3.21Å; E144-K148 PolarHBondContact O-N 3.25Å
145	Y	93.1	Very high	92.3	Very high	19 Å²	19	46.8 Å²	46.8	8%	0.075	27%	0.273	C	S	.	.	H	α-helix	trans	-54.2	-55.8	173.5	176.9	-105.6	0	0	0	111.4	Y132 A141 W142 N147 K148 I149 E178 F201	Y132-Y145 AromaticContact CD1-CD2 3.93Å; Y132-Y145 HydrophobicContact CD1-CD2 3.93Å; Y132-Y145 AromaticContact CE1-CD2 3.7Å; Y132-Y145 HydrophobicContact CE1-CD2 3.7Å; Y132-Y145 HydrophobicContact CE1-CE2 4.01Å; A141-Y145 PolarHBondContact O-N 3.45Å; W142-Y145 AromaticContact CE3-CD1 3.95Å; W142-Y145 HydrophobicContact CE3-CD1 3.95Å; W142-Y145 HydrophobicContact CH2-CD1 4.21Å; W142-Y145 HydrophobicContact CH2-CE1 4.33Å; W142-Y145 AromaticContact CZ3-CD1 3.56Å; W142-Y145 HydrophobicContact CZ3-CD1 3.56Å; W142-Y145 AromaticContact CZ3-CE1 3.9Å; W142-Y145 HydrophobicContact CZ3-CE1 3.9Å; Y145-N147 VanDerWaalsContact C-N 3.31Å; Y145-N147 PolarHBondContact O-N 3.12Å; Y145-K148 PolarHBondContact O-N 3.21Å; Y145-I149 HydrophobicContact CD2-CG1 3.84Å; Y145-I149 HydrophobicContact CE1-CG1 4.34Å; Y145-I149 HydrophobicContact CE2-CD1 4Å; Y145-I149 HydrophobicContact CE2-CG1 3.51Å; Y145-I149 HydrophobicContact CG-CG1 4.36Å; Y145-I149 WeakPolarHBondContact O-CB 3.27Å; Y145-I149 WeakPolarHBondContact O-CG1 3.26Å; Y145-I149 PolarHBondContact O-N 3.47Å; Y145-E178 HydrophobicContact CE1-CB 4.39Å; Y145-E178 PolarHBondContact OH-OE2 2.85Å; Y145-F201 HydrophobicContact CD2-CE1 4.1Å; Y145-F201 HydrophobicContact CD2-CZ 4.31Å; Y145-F201 AromaticContact CE1-CZ 3.97Å; Y145-F201 HydrophobicContact CE1-CZ 3.97Å; Y145-F201 AromaticContact CE2-CE1 3.53Å; Y145-F201 HydrophobicContact CE2-CE1 3.53Å; Y145-F201 AromaticContact CE2-CZ 3.71Å; Y145-F201 HydrophobicContact CE2-CZ 3.71Å; Y145-F201 AromaticContact CZ-CE1 3.81Å; Y145-F201 AromaticContact CZ-CZ 3.5Å
146	T	91.7	Very high	91.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-32.9	-178	49.9	0	0	0	0	113.5	W142 S143 E144 Y150 L157 L175	W142-T146 HydrophobicContact CD2-CG2 3.85Å; W142-T146 HydrophobicContact CE3-CG2 4.26Å; W142-T146 HydrophobicContact CG-CG2 4.5Å; W142-T146 HydrophobicContact CH2-CG2 3.78Å; W142-T146 HydrophobicContact CZ2-CG2 3.31Å; W142-T146 HydrophobicContact CZ3-CG2 4.23Å; W142-T146 WeakPolarHBondContact O-CB 3.28Å; W142-T146 WeakPolarHBondContact O-CG2 3.39Å; W142-T146 PolarHBondContact O-N 3.23Å; W142-T146 PolarHBondContact O-OG1 2.87Å; S143-T146 WeakPolarHBondContact CA-OG1 3.38Å; S143-T146 PolarHBondContact O-OG1 3.01Å; E144-T146 PolarHBondContact O-N 3.49Å; T146-Y150 HydrophobicContact CG2-CD2 4.25Å; T146-Y150 HydrophobicContact CG2-CE2 4.4Å; T146-Y150 WeakPolarHBondContact O-CA 3.39Å; T146-Y150 WeakPolarHBondContact O-CB 3.1Å; T146-Y150 PolarHBondContact O-N 2.83Å; T146-L157 HydrophobicContact CG2-CD1 3.98Å; T146-L175 HydrophobicContact CG2-CD2 4.32Å
147	N	91.2	Very high	91.6	Very high	77 Å²	77	42.4 Å²	42.4	41%	0.412	23%	0.234	S	C	.	.	H	α-helix	trans	-69.4	-41.2	174.9	-172.1	-111.3	0	0	0	112	S143 E144 Y145 G151 Y152	S143-N147 WeakPolarHBondContact O-CB 3.11Å; S143-N147 PolarHBondContact O-N 2.72Å; E144-N147 PolarHBondContact O-N 3.04Å; Y145-N147 VanDerWaalsContact C-N 3.31Å; Y145-N147 PolarHBondContact O-N 3.12Å; N147-G151 WeakPolarHBondContact O-CA 3.47Å; N147-G151 PolarHBondContact O-N 2.75Å; N147-Y152 VanDerWaalsContact CA-O 3.31Å; N147-Y152 WeakPolarHBondContact CA-O 3.47Å; N147-Y152 PolarHBondContact ND2-O 3.4Å
148	K	89.6	Confident	91.1	Very high	87 Å²	87	43 Å²	43	38%	0.378	23%	0.234	S	C	.	.	H	α-helix	trans	-65.2	-40.5	177.8	179	69.7	176.7	-144.1	0	112.6	E131 Y132 E144 Y145	E131-K148 PolarHBondContact O-NZ 3.16Å; Y132-K148 HydrophobicContact CD1-CB 4.14Å; Y132-K148 HydrophobicContact CD1-CG 3.8Å; Y132-K148 HydrophobicContact CE1-CB 4.3Å; Y132-K148 HydrophobicContact CE1-CG 3.76Å; E144-K148 WeakPolarHBondContact O-CB 3.21Å; E144-K148 PolarHBondContact O-N 3.25Å; Y145-K148 PolarHBondContact O-N 3.21Å
149	I	87.8	Confident	90.7	Very high	9 Å²	9	44.9 Å²	44.9	5%	0.046	24%	0.236	C	C	.	.	H	α-helix	trans	-86.9	-41.7	-173.1	-63.6	-64.8	0	0	0	111.9	L31 L38 Y132 Y145	L31-I149 WeakPolarHBondContact CD2-O 3.18Å; L38-I149 HydrophobicContact CD1-CB 3.86Å; L38-I149 HydrophobicContact CD1-CD1 3.37Å; L38-I149 HydrophobicContact CD1-CG1 4.17Å; L38-I149 HydrophobicContact CD1-CG2 3.37Å; L38-I149 HydrophobicContact CD2-CD1 3.49Å; L38-I149 VanDerWaalsContact CD2-CD1 3.49Å; L38-I149 HydrophobicContact CG-CD1 4.06Å; Y132-I149 HydrophobicContact CE1-CD1 3.69Å; Y132-I149 HydrophobicContact CE1-CG1 4.01Å; Y132-I149 WeakPolarHBondContact OH-CD1 3.47Å; Y145-I149 HydrophobicContact CD2-CG1 3.84Å; Y145-I149 HydrophobicContact CE1-CG1 4.34Å; Y145-I149 HydrophobicContact CE2-CD1 4Å; Y145-I149 HydrophobicContact CE2-CG1 3.51Å; Y145-I149 HydrophobicContact CG-CG1 4.36Å; Y145-I149 WeakPolarHBondContact O-CB 3.27Å; Y145-I149 WeakPolarHBondContact O-CG1 3.26Å; Y145-I149 PolarHBondContact O-N 3.47Å
150	Y	86.9	Confident	90.2	Very high	12 Å²	12	44.1 Å²	44.1	5%	0.047	23%	0.232	C	C	.	.	H	α-helix	trans	-114.2	-8	-172.2	-53.6	-69.6	0	0	0	113.9	F27 L31 T146 Y152 F171 L175 E178	F27-Y150 AromaticContact CE1-CE1 3.97Å; F27-Y150 HydrophobicContact CE1-CE1 3.97Å; L31-Y150 HydrophobicContact CD2-CD1 4.27Å; T146-Y150 HydrophobicContact CG2-CD2 4.25Å; T146-Y150 HydrophobicContact CG2-CE2 4.4Å; T146-Y150 WeakPolarHBondContact O-CA 3.39Å; T146-Y150 WeakPolarHBondContact O-CB 3.1Å; T146-Y150 PolarHBondContact O-N 2.83Å; Y150-Y152 VanDerWaalsContact O-CD2 3.32Å; Y150-Y152 WeakPolarHBondContact O-CD2 3.32Å; Y150-Y152 WeakPolarHBondContact O-CE2 3.44Å; Y150-Y152 PolarHBondContact O-N 3.08Å; Y150-F171 AromaticContact CD1-CE2 3.8Å; Y150-F171 HydrophobicContact CD1-CE2 3.8Å; Y150-F171 HydrophobicContact CD1-CZ 4.26Å; Y150-F171 HydrophobicContact CE1-CE2 4.06Å; Y150-F171 HydrophobicContact CG-CE2 4.29Å; Y150-F171 HydrophobicContact CG-CZ 4.3Å; Y150-L175 HydrophobicContact CD2-CD2 3.63Å; Y150-L175 HydrophobicContact CE2-CD2 3.23Å; Y150-L175 HydrophobicContact CG-CD2 4.45Å; Y150-E178 WeakPolarHBondContact OH-CG 3.3Å
151	G	88.6	Confident	89.6	Confident	5 Å²	5	49 Å²	49	5%	0.052	25%	0.25	C	C	.	.			trans	67.5	18.8	-177.1	0	0	0	0	0	114.3	R32 N147	R32-G151 PolarHBondContact NE-O 3.45Å; R32-G151 PolarHBondContact NH2-O 3.24Å; N147-G151 WeakPolarHBondContact O-CA 3.47Å; N147-G151 PolarHBondContact O-N 2.75Å
152	Y	88.5	Confident	89.1	Confident	28 Å²	28	54.4 Å²	54.4	11%	0.11	27%	0.272	C	S	.	.			trans	-106.9	146.3	179.9	-62.9	-57.1	0	0	0	112.5	Y30 N147 Y150 E156 L157 F160 F171	Y30-Y152 WeakPolarHBondContact O-CE2 3.32Å; Y30-Y152 PolarHBondContact O-OH 3.44Å; N147-Y152 VanDerWaalsContact CA-O 3.31Å; N147-Y152 WeakPolarHBondContact CA-O 3.47Å; N147-Y152 PolarHBondContact ND2-O 3.4Å; Y150-Y152 VanDerWaalsContact O-CD2 3.32Å; Y150-Y152 WeakPolarHBondContact O-CD2 3.32Å; Y150-Y152 WeakPolarHBondContact O-CE2 3.44Å; Y150-Y152 PolarHBondContact O-N 3.08Å; Y152-E156 HydrophobicContact CD1-CB 4.24Å; Y152-L157 HydrophobicContact CD2-CD2 3.86Å; Y152-L157 HydrophobicContact CG-CD2 3.99Å; Y152-F160 AromaticContact CD1-CE2 3.66Å; Y152-F160 HydrophobicContact CD1-CE2 3.66Å; Y152-F160 HydrophobicContact CD1-CZ 4.33Å; Y152-F160 HydrophobicContact CD2-CE2 4.17Å; Y152-F160 AromaticContact CE1-CE2 3.46Å; Y152-F160 HydrophobicContact CE1-CE2 3.46Å; Y152-F160 VanDerWaalsContact CE1-CE2 3.46Å; Y152-F160 AromaticContact CE1-CZ 3.7Å; Y152-F160 HydrophobicContact CE1-CZ 3.7Å; Y152-F160 HydrophobicContact CE2-CE2 4.03Å; Y152-F160 HydrophobicContact CG-CE2 4.03Å; Y152-F160 AromaticContact CZ-CE2 3.68Å; Y152-F160 AromaticContact CZ-CZ 3.86Å; Y152-F171 HydrophobicContact CD2-CE1 4.17Å; Y152-F171 AromaticContact CD2-CZ 3.73Å; Y152-F171 HydrophobicContact CD2-CZ 3.73Å; Y152-F171 AromaticContact CE2-CE1 3.98Å; Y152-F171 HydrophobicContact CE2-CE1 3.98Å; Y152-F171 HydrophobicContact CE2-CE2 4.38Å; Y152-F171 AromaticContact CE2-CZ 3.55Å; Y152-F171 HydrophobicContact CE2-CZ 3.55Å
153	T	87.3	Confident	88.5	Confident	67 Å²	67	54.9 Å²	54.9	41%	0.411	28%	0.278	S	S	.	.			trans	-85.2	159.4	168.1	61.9	0	0	0	0	110.5	Q155 E156 L157	T153-Q155 PolarHBondContact O-N 3.16Å; T153-Q155 VanDerWaalsContact O-N 3.12Å; T153-E156 WeakPolarHBondContact CB-OE2 3.34Å; T153-E156 PolarHBondContact N-OE2 3.17Å; T153-E156 PolarHBondContact O-N 3.21Å; T153-E156 WeakPolarHBondContact OG1-CG 3.17Å; T153-E156 PolarHBondContact OG1-N 2.81Å; T153-E156 PolarHBondContact OG1-OE2 2.64Å; T153-L157 PolarHBondContact O-N 3.4Å
154	A	85.5	Confident	87.7	Confident	66 Å²	66	57.4 Å²	57.4	55%	0.545	30%	0.295	S	S	.	.	H	α-helix	trans	-54.3	-33.7	176.2	0	0	0	0	0	113.2	E158	A154-E158 PolarHBondContact O-N 3.26Å; A154-E158 VanDerWaalsContact O-N 3.17Å
155	Q	87.4	Confident	87.2	Confident	117 Å²	117	62.4 Å²	62.4	55%	0.547	32%	0.317	S	S	.	.	H	α-helix	trans	-71.3	-40.4	177.8	-175.1	58.9	65.8	0	0	112.5	T153 L157 E158 D159	T153-Q155 PolarHBondContact O-N 3.16Å; T153-Q155 VanDerWaalsContact O-N 3.12Å; Q155-L157 VanDerWaalsContact C-N 3.35Å; Q155-E158 PolarHBondContact O-N 3.03Å; Q155-D159 PolarHBondContact NE2-OD1 3.18Å; Q155-D159 PolarHBondContact O-N 3.36Å
156	E	88.5	Confident	86.7	Confident	68 Å²	68	67.6 Å²	67.6	32%	0.318	35%	0.346	S	S	.	.	H	α-helix	trans	-64.9	-40.7	176.6	-72.5	164.4	137.8	0	0	111	R32 Y152 T153 E158 D159 F160	R32-E156 IonicContact NH2-OE1 3.72Å; Y152-E156 HydrophobicContact CD1-CB 4.24Å; T153-E156 WeakPolarHBondContact CB-OE2 3.34Å; T153-E156 PolarHBondContact N-OE2 3.17Å; T153-E156 PolarHBondContact O-N 3.21Å; T153-E156 WeakPolarHBondContact OG1-CG 3.17Å; T153-E156 PolarHBondContact OG1-N 2.81Å; T153-E156 PolarHBondContact OG1-OE2 2.64Å; E156-E158 VanDerWaalsContact C-N 3.33Å; E156-E158 PolarHBondContact O-N 3.21Å; E156-D159 PolarHBondContact O-N 3.28Å; E156-D159 VanDerWaalsContact O-N 3.16Å; E156-F160 WeakPolarHBondContact O-CD2 3.05Å; E156-F160 PolarHBondContact O-N 2.87Å
157	L	87.4	Confident	86.2	Confident	12 Å²	12	71.5 Å²	71.5	6%	0.063	37%	0.366	C	S	.	.	H	α-helix	trans	-60.3	-41.8	174.2	-65.7	-175.2	0	0	0	112.4	T146 Y152 T153 Q155 D159 F160 R161 F171 L175	T146-L157 HydrophobicContact CG2-CD1 3.98Å; Y152-L157 HydrophobicContact CD2-CD2 3.86Å; Y152-L157 HydrophobicContact CG-CD2 3.99Å; T153-L157 PolarHBondContact O-N 3.4Å; Q155-L157 VanDerWaalsContact C-N 3.35Å; L157-D159 VanDerWaalsContact C-N 3.29Å; L157-D159 PolarHBondContact O-N 2.95Å; L157-F160 HydrophobicContact CD2-CD2 4.35Å; L157-F160 PolarHBondContact O-N 3.13Å; L157-R161 WeakPolarHBondContact O-CG 3.31Å; L157-R161 PolarHBondContact O-N 3.4Å; L157-R161 VanDerWaalsContact O-N 3.11Å; L157-F171 HydrophobicContact CD2-CE1 4.09Å; L157-F171 HydrophobicContact CD2-CZ 4.29Å; L157-L175 HydrophobicContact CD2-CD1 3.62Å
158	E	87.4	Confident	85.9	Confident	88 Å²	88	68 Å²	68	41%	0.411	35%	0.348	S	S	.	.	H	α-helix	trans	-66.5	-31.3	176.2	-178	54.4	-151.6	0	0	112.6	A154 Q155 E156 R161	A154-E158 PolarHBondContact O-N 3.26Å; A154-E158 VanDerWaalsContact O-N 3.17Å; Q155-E158 PolarHBondContact O-N 3.03Å; E156-E158 VanDerWaalsContact C-N 3.33Å; E156-E158 PolarHBondContact O-N 3.21Å; E158-R161 PolarHBondContact O-N 2.78Å
159	D	87.8	Confident	85.7	Confident	78 Å²	78	70 Å²	70	42%	0.417	36%	0.357	S	S	.	.	H	α-helix	trans	-75.1	-34.1	175.4	-68.7	-23.4	0	0	0	112	Q155 E156 L157 R161 K162 D163	Q155-D159 PolarHBondContact NE2-OD1 3.18Å; Q155-D159 PolarHBondContact O-N 3.36Å; E156-D159 PolarHBondContact O-N 3.28Å; E156-D159 VanDerWaalsContact O-N 3.16Å; L157-D159 VanDerWaalsContact C-N 3.29Å; L157-D159 PolarHBondContact O-N 2.95Å; D159-R161 VanDerWaalsContact C-N 3.33Å; D159-R161 PolarHBondContact O-N 3.13Å; D159-K162 PolarHBondContact O-N 3.47Å; D159-K162 IonicContact OD1-NZ 2.69Å; D159-K162 PolarHBondContact OD1-NZ 2.93Å; D159-D163 PolarHBondContact O-N 2.98Å
160	F	85.8	Confident	85.5	Confident	46 Å²	46	72.9 Å²	72.9	20%	0.202	37%	0.372	C	S	.	.	H	α-helix	trans	-61.8	-38.6	169.7	-74.1	-55.7	0	0	0	112.5	Y152 E156 L157 K162 D163 T168 F171 I172	Y152-F160 AromaticContact CD1-CE2 3.66Å; Y152-F160 HydrophobicContact CD1-CE2 3.66Å; Y152-F160 HydrophobicContact CD1-CZ 4.33Å; Y152-F160 HydrophobicContact CD2-CE2 4.17Å; Y152-F160 AromaticContact CE1-CE2 3.46Å; Y152-F160 HydrophobicContact CE1-CE2 3.46Å; Y152-F160 VanDerWaalsContact CE1-CE2 3.46Å; Y152-F160 AromaticContact CE1-CZ 3.7Å; Y152-F160 HydrophobicContact CE1-CZ 3.7Å; Y152-F160 HydrophobicContact CE2-CE2 4.03Å; Y152-F160 HydrophobicContact CG-CE2 4.03Å; Y152-F160 AromaticContact CZ-CE2 3.68Å; Y152-F160 AromaticContact CZ-CZ 3.86Å; E156-F160 WeakPolarHBondContact O-CD2 3.05Å; E156-F160 PolarHBondContact O-N 2.87Å; L157-F160 HydrophobicContact CD2-CD2 4.35Å; L157-F160 PolarHBondContact O-N 3.13Å; F160-K162 PolarHBondContact O-N 3.01Å; F160-K162 VanDerWaalsContact O-N 3.14Å; F160-D163 PolarHBondContact O-N 3.39Å; F160-T168 HydrophobicContact CB-CG2 3.74Å; F160-T168 HydrophobicContact CD1-CG2 3.8Å; F160-T168 HydrophobicContact CG-CG2 4.16Å; F160-T168 VanDerWaalsContact O-CG2 3.22Å; F160-T168 WeakPolarHBondContact O-CG2 2.85Å; F160-F171 HydrophobicContact CD2-CE1 4.15Å; F160-F171 HydrophobicContact CE2-CE1 4.47Å; F160-I172 HydrophobicContact CB-CD1 3.81Å; F160-I172 HydrophobicContact CB-CG1 4.45Å
161	R	85.7	Confident	85.5	Confident	102 Å²	102	72.5 Å²	72.5	39%	0.385	37%	0.37	S	S	.	.	H	α-helix	trans	-60.3	-23.3	176.4	-71.7	-179.5	-176.9	-80.3	-0.5	113.5	L157 E158 D159 I172 D176	L157-R161 WeakPolarHBondContact O-CG 3.31Å; L157-R161 PolarHBondContact O-N 3.4Å; L157-R161 VanDerWaalsContact O-N 3.11Å; E158-R161 PolarHBondContact O-N 2.78Å; D159-R161 VanDerWaalsContact C-N 3.33Å; D159-R161 PolarHBondContact O-N 3.13Å; R161-I172 HydrophobicContact CG-CD1 3.6Å; R161-I172 HydrophobicContact CG-CG1 4.17Å; R161-I172 HydrophobicContact CG-CG2 4.12Å; R161-D176 IonicContact CZ-OD1 2.61Å; R161-D176 IonicContact NH1-OD1 3.77Å; R161-D176 PolarHBondContact NH1-OD1 3.01Å; R161-D176 IonicContact NH1-OD2 3.8Å; R161-D176 PolarHBondContact NH1-OD2 3.03Å; R161-D176 IonicContact NH2-OD1 2.94Å; R161-D176 PolarHBondContact NH2-OD1 3.39Å
162	K	87.1	Confident	85.5	Confident	126 Å²	126	73.1 Å²	73.1	55%	0.548	37%	0.372	S	S	.	.	H	α-helix	trans	-89	-16.1	177.6	-61.6	167.1	-161.3	149.6	0	113	D159 F160	D159-K162 PolarHBondContact O-N 3.47Å; D159-K162 IonicContact OD1-NZ 2.69Å; D159-K162 PolarHBondContact OD1-NZ 2.93Å; F160-K162 PolarHBondContact O-N 3.01Å; F160-K162 VanDerWaalsContact O-N 3.14Å
163	D	82.1	Confident	85.5	Confident	58 Å²	58	76.1 Å²	76.1	31%	0.31	39%	0.387	S	S	.	.			trans	-73.8	140.7	176.4	-162.7	-17.5	0	0	0	110	D159 F160 K165 T168	D159-D163 PolarHBondContact O-N 2.98Å; F160-D163 PolarHBondContact O-N 3.39Å; D163-K165 WeakPolarHBondContact OD1-CG 3.41Å; D163-K165 PolarHBondContact OD1-N 3.26Å; D163-K165 VanDerWaalsContact OD1-N 3.11Å; D163-K165 IonicContact OD1-NZ 4Å; D163-K165 WeakPolarHBondContact OD2-CD 3.18Å; D163-K165 WeakPolarHBondContact OD2-CE 3.07Å; D163-K165 IonicContact OD2-NZ 2.79Å; D163-K165 PolarHBondContact OD2-NZ 3.1Å; D163-T168 HydrophobicContact CB-CG2 4.02Å
164	S	78	Confident	85.4	Confident	115 Å²	115	73.7 Å²	73.7	80%	0.804	37%	0.373	S	S	*	.			trans	-101.7	6.4	-178.6	-58.6	0	0	0	0	113.4
165	K	84.2	Confident	85.7	Confident	129 Å²	129	70.6 Å²	70.6	56%	0.561	35%	0.348	S	S	*	.			trans	-66.6	141.7	174.8	-69.5	172.7	-158.5	134.3	0	111.2	D163 D167 T168 K169	D163-K165 WeakPolarHBondContact OD1-CG 3.41Å; D163-K165 PolarHBondContact OD1-N 3.26Å; D163-K165 VanDerWaalsContact OD1-N 3.11Å; D163-K165 IonicContact OD1-NZ 4Å; D163-K165 WeakPolarHBondContact OD2-CD 3.18Å; D163-K165 WeakPolarHBondContact OD2-CE 3.07Å; D163-K165 IonicContact OD2-NZ 2.79Å; D163-K165 PolarHBondContact OD2-NZ 3.1Å; K165-D167 PolarHBondContact O-N 3.07Å; K165-T168 PolarHBondContact O-N 2.93Å; K165-K169 PolarHBondContact O-N 3.35Å
166	N	81.8	Confident	85.9	Confident	129 Å²	129	68.2 Å²	68.2	69%	0.69	34%	0.339	S	S	*	.	H	α-helix	trans	-59.7	-44	179.9	-76.1	-7.1	0	0	0	112.7	T168 K169 L170	N166-T168 VanDerWaalsContact C-N 3.32Å; N166-T168 PolarHBondContact O-N 3.41Å; N166-K169 WeakPolarHBondContact O-CB 3.21Å; N166-K169 PolarHBondContact O-N 3.44Å; N166-K169 VanDerWaalsContact O-N 3.11Å; N166-L170 PolarHBondContact O-N 3.3Å; N166-L170 VanDerWaalsContact O-N 3.07Å
167	D	80.9	Confident	86	Confident	82 Å²	82	67 Å²	67	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-64.2	-40.1	-179	-57.6	-31.9	0	0	0	110.8	Y30 K165 K169 L170 F171	Y30-D167 HydrophobicContact CE2-CB 4.14Å; Y30-D167 WeakPolarHBondContact OH-CB 3.08Å; K165-D167 PolarHBondContact O-N 3.07Å; D167-K169 VanDerWaalsContact C-N 3.31Å; D167-K169 PolarHBondContact O-N 3.45Å; D167-L170 PolarHBondContact O-N 3.04Å; D167-F171 PolarHBondContact O-N 2.95Å; D167-F171 VanDerWaalsContact O-N 3.12Å
168	T	84.9	Confident	86.2	Confident	4 Å²	4	68 Å²	68	3%	0.025	34%	0.337	C	S	.	.	H	α-helix	trans	-63.3	-38.4	173.4	-48.2	0	0	0	0	111.5	Y30 F160 D163 K165 N166 L170 F171 I172	Y30-T168 PolarHBondContact OH-N 3.07Å; Y30-T168 VanDerWaalsContact OH-N 3.14Å; F160-T168 HydrophobicContact CB-CG2 3.74Å; F160-T168 HydrophobicContact CD1-CG2 3.8Å; F160-T168 HydrophobicContact CG-CG2 4.16Å; F160-T168 VanDerWaalsContact O-CG2 3.22Å; F160-T168 WeakPolarHBondContact O-CG2 2.85Å; D163-T168 HydrophobicContact CB-CG2 4.02Å; K165-T168 PolarHBondContact O-N 2.93Å; N166-T168 VanDerWaalsContact C-N 3.32Å; N166-T168 PolarHBondContact O-N 3.41Å; T168-L170 PolarHBondContact O-N 3.26Å; T168-F171 PolarHBondContact O-N 3.36Å; T168-I172 HydrophobicContact CG2-CG1 4.33Å; T168-I172 VanDerWaalsContact O-CG1 3.31Å; T168-I172 WeakPolarHBondContact O-CG1 3.2Å; T168-I172 PolarHBondContact O-N 3.19Å
169	K	85.3	Confident	86.5	Confident	129 Å²	129	66.2 Å²	66.2	56%	0.561	33%	0.328	S	S	*	.	H	α-helix	trans	-63.2	-40.4	177.7	-173.3	-178	177	-175.1	0	112.2	K165 N166 D167 I172 Q173	K165-K169 PolarHBondContact O-N 3.35Å; N166-K169 WeakPolarHBondContact O-CB 3.21Å; N166-K169 PolarHBondContact O-N 3.44Å; N166-K169 VanDerWaalsContact O-N 3.11Å; D167-K169 VanDerWaalsContact C-N 3.31Å; D167-K169 PolarHBondContact O-N 3.45Å; K169-I172 PolarHBondContact O-N 3.35Å; K169-Q173 VanDerWaalsContact O-CG 3.31Å; K169-Q173 WeakPolarHBondContact O-CG 3.34Å; K169-Q173 PolarHBondContact O-N 2.91Å
170	L	84.5	Confident	86.8	Confident	69 Å²	69	65.1 Å²	65.1	36%	0.361	32%	0.322	S	S	.	.	H	α-helix	trans	-64.8	-44.1	176.4	-70.1	173.4	0	0	0	111.3	N166 D167 T168 I172 Q173 S174	N166-L170 PolarHBondContact O-N 3.3Å; N166-L170 VanDerWaalsContact O-N 3.07Å; D167-L170 PolarHBondContact O-N 3.04Å; T168-L170 PolarHBondContact O-N 3.26Å; L170-I172 PolarHBondContact O-N 3.4Å; L170-Q173 WeakPolarHBondContact O-CB 2.85Å; L170-Q173 PolarHBondContact O-N 2.87Å; L170-S174 PolarHBondContact O-N 3.15Å; L170-S174 VanDerWaalsContact O-N 3.14Å
171	F	87.3	Confident	87.3	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.018	32%	0.319	C	S	.	.	H	α-helix	trans	-60.4	-43.7	174.5	175.7	-112.4	0	0	0	112.6	Y30 Y150 Y152 L157 F160 D167 T168 Q173 S174 L175	Y30-F171 HydrophobicContact CD1-CB 4.44Å; Y30-F171 HydrophobicContact CD1-CD1 4.31Å; Y30-F171 HydrophobicContact CD1-CD2 4.5Å; Y30-F171 HydrophobicContact CD1-CG 4.16Å; Y30-F171 HydrophobicContact CD2-CB 4.39Å; Y30-F171 HydrophobicContact CE1-CB 4.49Å; Y30-F171 HydrophobicContact CE2-CB 4.44Å; Y30-F171 HydrophobicContact CG-CB 4.39Å; Y30-F171 HydrophobicContact CG-CD2 4.13Å; Y30-F171 HydrophobicContact CG-CG 4.17Å; Y150-F171 AromaticContact CD1-CE2 3.8Å; Y150-F171 HydrophobicContact CD1-CE2 3.8Å; Y150-F171 HydrophobicContact CD1-CZ 4.26Å; Y150-F171 HydrophobicContact CE1-CE2 4.06Å; Y150-F171 HydrophobicContact CG-CE2 4.29Å; Y150-F171 HydrophobicContact CG-CZ 4.3Å; Y152-F171 HydrophobicContact CD2-CE1 4.17Å; Y152-F171 AromaticContact CD2-CZ 3.73Å; Y152-F171 HydrophobicContact CD2-CZ 3.73Å; Y152-F171 AromaticContact CE2-CE1 3.98Å; Y152-F171 HydrophobicContact CE2-CE1 3.98Å; Y152-F171 HydrophobicContact CE2-CE2 4.38Å; Y152-F171 AromaticContact CE2-CZ 3.55Å; Y152-F171 HydrophobicContact CE2-CZ 3.55Å; L157-F171 HydrophobicContact CD2-CE1 4.09Å; L157-F171 HydrophobicContact CD2-CZ 4.29Å; F160-F171 HydrophobicContact CD2-CE1 4.15Å; F160-F171 HydrophobicContact CE2-CE1 4.47Å; D167-F171 PolarHBondContact O-N 2.95Å; D167-F171 VanDerWaalsContact O-N 3.12Å; T168-F171 PolarHBondContact O-N 3.36Å; F171-Q173 VanDerWaalsContact C-N 3.3Å; F171-Q173 PolarHBondContact O-N 3.16Å; F171-S174 PolarHBondContact O-N 2.94Å; F171-S174 PolarHBondContact O-OG 2.77Å; F171-L175 HydrophobicContact CD1-CD1 3.97Å; F171-L175 HydrophobicContact CE1-CD1 3.42Å; F171-L175 VanDerWaalsContact CE1-CD1 3.42Å; F171-L175 HydrophobicContact CE1-CG 4.29Å; F171-L175 HydrophobicContact CE2-CD1 4.25Å; F171-L175 HydrophobicContact CE2-CG 4.27Å; F171-L175 HydrophobicContact CZ-CD1 3.58Å; F171-L175 HydrophobicContact CZ-CD2 4.37Å; F171-L175 HydrophobicContact CZ-CG 4.04Å; F171-L175 PolarHBondContact O-N 3.13Å
172	I	88.7	Confident	87.8	Confident	19 Å²	19	59.5 Å²	59.5	10%	0.097	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-36.6	175.4	-67.7	-55.3	0	0	0	111.8	F160 R161 T168 K169 L170 L175 D176	F160-I172 HydrophobicContact CB-CD1 3.81Å; F160-I172 HydrophobicContact CB-CG1 4.45Å; R161-I172 HydrophobicContact CG-CD1 3.6Å; R161-I172 HydrophobicContact CG-CG1 4.17Å; R161-I172 HydrophobicContact CG-CG2 4.12Å; T168-I172 HydrophobicContact CG2-CG1 4.33Å; T168-I172 VanDerWaalsContact O-CG1 3.31Å; T168-I172 WeakPolarHBondContact O-CG1 3.2Å; T168-I172 PolarHBondContact O-N 3.19Å; K169-I172 PolarHBondContact O-N 3.35Å; L170-I172 PolarHBondContact O-N 3.4Å; I172-L175 HydrophobicContact CD1-CD1 4.04Å; I172-L175 PolarHBondContact O-N 3.47Å; I172-D176 VanDerWaalsContact O-CG 3.31Å; I172-D176 PolarHBondContact O-N 3.48Å
173	Q	87.5	Confident	88.3	Confident	90 Å²	90	56.6 Å²	56.6	42%	0.421	29%	0.291	S	S	.	.	H	α-helix	trans	-64.5	-39.5	177.4	-77.1	177.6	-29.9	0	0	112.6	K169 L170 F171 D176 E177	K169-Q173 VanDerWaalsContact O-CG 3.31Å; K169-Q173 WeakPolarHBondContact O-CG 3.34Å; K169-Q173 PolarHBondContact O-N 2.91Å; L170-Q173 WeakPolarHBondContact O-CB 2.85Å; L170-Q173 PolarHBondContact O-N 2.87Å; F171-Q173 VanDerWaalsContact C-N 3.3Å; F171-Q173 PolarHBondContact O-N 3.16Å; Q173-D176 PolarHBondContact O-N 2.94Å; Q173-E177 PolarHBondContact O-N 3.27Å; Q173-E177 VanDerWaalsContact O-N 3.15Å
174	S	86.4	Confident	89	Confident	17 Å²	17	54.4 Å²	54.4	12%	0.119	28%	0.28	C	S	.	.	H	α-helix	trans	-70.1	-36.6	175.1	78.8	0	0	0	0	111.8	F27 L170 F171 D176 E177 E178	F27-S174 VanDerWaalsContact CZ-CB 3.42Å; F27-S174 WeakPolarHBondContact CZ-OG 3.28Å; L170-S174 PolarHBondContact O-N 3.15Å; L170-S174 VanDerWaalsContact O-N 3.14Å; F171-S174 PolarHBondContact O-N 2.94Å; F171-S174 PolarHBondContact O-OG 2.77Å; S174-D176 VanDerWaalsContact C-N 3.26Å; S174-D176 PolarHBondContact O-N 3.49Å; S174-E177 WeakPolarHBondContact O-CA 3.39Å; S174-E177 WeakPolarHBondContact O-CB 3.45Å; S174-E177 PolarHBondContact O-N 3.03Å; S174-E177 VanDerWaalsContact O-N 3.07Å; S174-E178 PolarHBondContact O-N 3.22Å
175	L	90.3	Very high	89.9	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-61.2	-36.6	173.1	-78.2	174.6	0	0	0	112.3	T146 Y150 L157 F171 I172 E177 K179	T146-L175 HydrophobicContact CG2-CD2 4.32Å; Y150-L175 HydrophobicContact CD2-CD2 3.63Å; Y150-L175 HydrophobicContact CE2-CD2 3.23Å; Y150-L175 HydrophobicContact CG-CD2 4.45Å; L157-L175 HydrophobicContact CD2-CD1 3.62Å; F171-L175 HydrophobicContact CD1-CD1 3.97Å; F171-L175 HydrophobicContact CE1-CD1 3.42Å; F171-L175 VanDerWaalsContact CE1-CD1 3.42Å; F171-L175 HydrophobicContact CE1-CG 4.29Å; F171-L175 HydrophobicContact CE2-CD1 4.25Å; F171-L175 HydrophobicContact CE2-CG 4.27Å; F171-L175 HydrophobicContact CZ-CD1 3.58Å; F171-L175 HydrophobicContact CZ-CD2 4.37Å; F171-L175 HydrophobicContact CZ-CG 4.04Å; F171-L175 PolarHBondContact O-N 3.13Å; I172-L175 HydrophobicContact CD1-CD1 4.04Å; I172-L175 PolarHBondContact O-N 3.47Å; L175-E177 VanDerWaalsContact C-N 3.31Å; L175-K179 VanDerWaalsContact O-CB 3.26Å; L175-K179 WeakPolarHBondContact O-CB 3.49Å; L175-K179 PolarHBondContact O-N 3.05Å
176	D	91.5	Very high	90.6	Very high	67 Å²	67	43 Å²	43	36%	0.358	22%	0.216	S	C	.	.	H	α-helix	trans	-69.9	-29.2	175	-69.2	-19.3	0	0	0	111.9	R161 I172 Q173 S174 L180	R161-D176 IonicContact CZ-OD1 2.61Å; R161-D176 IonicContact NH1-OD1 3.77Å; R161-D176 PolarHBondContact NH1-OD1 3.01Å; R161-D176 IonicContact NH1-OD2 3.8Å; R161-D176 PolarHBondContact NH1-OD2 3.03Å; R161-D176 IonicContact NH2-OD1 2.94Å; R161-D176 PolarHBondContact NH2-OD1 3.39Å; I172-D176 VanDerWaalsContact O-CG 3.31Å; I172-D176 PolarHBondContact O-N 3.48Å; Q173-D176 PolarHBondContact O-N 2.94Å; S174-D176 VanDerWaalsContact C-N 3.26Å; S174-D176 PolarHBondContact O-N 3.49Å; D176-L180 PolarHBondContact O-N 3.45Å
177	E	90.5	Very high	91.3	Very high	42 Å²	42	42.2 Å²	42.2	20%	0.196	21%	0.208	C	C	.	.	H	α-helix	trans	-69.4	-48.6	171.8	-78	173.8	-170.1	0	0	111.9	Q173 S174 L175 K179 L180 K181 K216 H217	Q173-E177 PolarHBondContact O-N 3.27Å; Q173-E177 VanDerWaalsContact O-N 3.15Å; S174-E177 WeakPolarHBondContact O-CA 3.39Å; S174-E177 WeakPolarHBondContact O-CB 3.45Å; S174-E177 PolarHBondContact O-N 3.03Å; S174-E177 VanDerWaalsContact O-N 3.07Å; L175-E177 VanDerWaalsContact C-N 3.31Å; E177-K179 PolarHBondContact O-N 3.24Å; E177-L180 WeakPolarHBondContact O-CB 3.46Å; E177-L180 PolarHBondContact O-N 3.18Å; E177-L180 VanDerWaalsContact O-N 3.14Å; E177-K181 PolarHBondContact O-N 3.4Å; E177-K216 HydrophobicContact CG-CD 4.12Å; E177-K216 WeakPolarHBondContact OE1-CE 3.42Å; E177-K216 IonicContact OE1-NZ 3.69Å; E177-K216 PolarHBondContact OE1-NZ 3.38Å; E177-H217 IonicContact OE2-CE1 2.73Å
178	E	91.9	Very high	92.1	Very high	33 Å²	33	42.5 Å²	42.5	15%	0.154	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-36.4	173.8	-72.8	-59.2	123.9	0	0	111.8	W142 Y145 Y150 S174 K181 F182	W142-E178 HydrophobicContact CH2-CB 3.81Å; W142-E178 HydrophobicContact CZ3-CB 4.34Å; Y145-E178 HydrophobicContact CE1-CB 4.39Å; Y145-E178 PolarHBondContact OH-OE2 2.85Å; Y150-E178 WeakPolarHBondContact OH-CG 3.3Å; S174-E178 PolarHBondContact O-N 3.22Å; E178-K181 WeakPolarHBondContact O-CB 3.39Å; E178-K181 PolarHBondContact O-N 2.71Å; E178-F182 WeakPolarHBondContact O-CB 3.29Å; E178-F182 PolarHBondContact O-N 3.43Å
179	K	94.6	Very high	92.6	Very high	50 Å²	50	49 Å²	49	22%	0.217	24%	0.238	C	C	.	.	H	α-helix	trans	-67.4	-39	176.2	-175.8	59.4	-170.4	147.4	0	111.6	W142 L175 E177 K181 F182 D183	W142-K179 HydrophobicContact CD2-CD 3.64Å; W142-K179 HydrophobicContact CE3-CD 3.87Å; W142-K179 HydrophobicContact CG-CD 4.12Å; W142-K179 HydrophobicContact CH2-CB 3.8Å; W142-K179 HydrophobicContact CH2-CD 4.23Å; W142-K179 HydrophobicContact CZ2-CB 3.84Å; W142-K179 HydrophobicContact CZ2-CD 4.03Å; W142-K179 HydrophobicContact CZ2-CG 4.43Å; W142-K179 HydrophobicContact CZ3-CB 4.33Å; W142-K179 HydrophobicContact CZ3-CD 4.16Å; L175-K179 VanDerWaalsContact O-CB 3.26Å; L175-K179 WeakPolarHBondContact O-CB 3.49Å; L175-K179 PolarHBondContact O-N 3.05Å; E177-K179 PolarHBondContact O-N 3.24Å; K179-K181 VanDerWaalsContact C-N 3.31Å; K179-K181 PolarHBondContact O-N 3.1Å; K179-F182 PolarHBondContact O-N 3.01Å; K179-D183 WeakPolarHBondContact CE-OD1 3.5Å; K179-D183 WeakPolarHBondContact CE-OD2 3.48Å; K179-D183 IonicContact NZ-OD1 3.89Å; K179-D183 PolarHBondContact NZ-OD1 2.81Å; K179-D183 IonicContact NZ-OD2 3.85Å; K179-D183 WeakPolarHBondContact O-CB 3.19Å; K179-D183 VanDerWaalsContact O-CG 3.26Å; K179-D183 PolarHBondContact O-N 3.01Å
180	L	94.8	Very high	93.2	Very high	56 Å²	56	46 Å²	46	29%	0.293	23%	0.231	S	C	.	.	H	α-helix	trans	-62	-40.4	173	176	64.2	0	0	0	111.5	D176 E177 D183 S184 K216	D176-L180 PolarHBondContact O-N 3.45Å; E177-L180 WeakPolarHBondContact O-CB 3.46Å; E177-L180 PolarHBondContact O-N 3.18Å; E177-L180 VanDerWaalsContact O-N 3.14Å; L180-D183 PolarHBondContact O-N 2.85Å; L180-S184 WeakPolarHBondContact O-CB 3.44Å; L180-S184 PolarHBondContact O-N 3.24Å; L180-S184 PolarHBondContact O-OG 3.44Å; L180-K216 HydrophobicContact CD2-CB 4.49Å; L180-K216 HydrophobicContact CD2-CD 3.98Å
181	K	95.7	Very high	93.7	Very high	30 Å²	30	44.3 Å²	44.3	13%	0.13	23%	0.229	C	C	.	.	H	α-helix	trans	-58.7	-51.6	174	-167.6	-177.5	172.5	-178.7	0	111	E177 E178 K179 D183 S184 A185 F201 M210 Y213	E177-K181 PolarHBondContact O-N 3.4Å; E178-K181 WeakPolarHBondContact O-CB 3.39Å; E178-K181 PolarHBondContact O-N 2.71Å; K179-K181 VanDerWaalsContact C-N 3.31Å; K179-K181 PolarHBondContact O-N 3.1Å; K181-D183 PolarHBondContact O-N 3.33Å; K181-S184 WeakPolarHBondContact O-CB 3.48Å; K181-S184 PolarHBondContact O-N 3.27Å; K181-A185 PolarHBondContact O-N 3.31Å; K181-A185 VanDerWaalsContact O-N 3.1Å; K181-F201 HydrophobicContact CB-CD2 4.26Å; K181-F201 HydrophobicContact CB-CE2 3.81Å; K181-F201 HydrophobicContact CD-CD2 4Å; K181-F201 HydrophobicContact CD-CE2 3.6Å; K181-F201 HydrophobicContact CD-CZ 4Å; K181-F201 WeakPolarHBondContact CE-O 3.25Å; K181-F201 HydrophobicContact CG-CD2 3.68Å; K181-F201 HydrophobicContact CG-CE2 3.56Å; K181-F201 HydrophobicContact CG-CZ 4.44Å; K181-F201 PolarHBondContact NZ-O 3.31Å; K181-M210 HydrophobicContact CG-CE 3.91Å; K181-M210 WeakPolarHBondContact O-CE 3.4Å; K181-Y213 HydrophobicContact CB-CD1 4.25Å; K181-Y213 HydrophobicContact CB-CD2 3.48Å; K181-Y213 VanDerWaalsContact CB-CD2 3.48Å; K181-Y213 HydrophobicContact CB-CE1 4.36Å; K181-Y213 HydrophobicContact CB-CE2 3.62Å; K181-Y213 HydrophobicContact CB-CG 3.81Å; K181-Y213 HydrophobicContact CD-CD1 4.34Å; K181-Y213 HydrophobicContact CD-CE1 3.8Å; K181-Y213 HydrophobicContact CD-CE2 4.05Å; K181-Y213 HydrophobicContact CG-CD1 3.82Å; K181-Y213 HydrophobicContact CG-CD2 3.98Å; K181-Y213 HydrophobicContact CG-CE1 3.81Å; K181-Y213 HydrophobicContact CG-CE2 3.97Å; K181-Y213 HydrophobicContact CG-CG 3.9Å
182	F	96.7	Very high	94.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-48.1	177.4	-171.1	-75.8	0	0	0	111.6	V140 W142 E178 K179 S184 A185 D186 L193 F201	V140-F182 WeakPolarHBondContact O-CZ 3.43Å; W142-F182 HydrophobicContact CB-CE1 4.44Å; W142-F182 HydrophobicContact CB-CE2 4.41Å; W142-F182 HydrophobicContact CB-CZ 4.2Å; W142-F182 HydrophobicContact CE3-CB 3.9Å; W142-F182 HydrophobicContact CE3-CD1 4.46Å; W142-F182 AromaticContact CE3-CD2 3.65Å; W142-F182 HydrophobicContact CE3-CD2 3.65Å; W142-F182 HydrophobicContact CE3-CE2 4.25Å; W142-F182 AromaticContact CE3-CG 3.75Å; W142-F182 HydrophobicContact CE3-CG 3.75Å; W142-F182 HydrophobicContact CZ3-CB 3.9Å; W142-F182 HydrophobicContact CZ3-CD2 4.21Å; W142-F182 HydrophobicContact CZ3-CG 4.24Å; E178-F182 WeakPolarHBondContact O-CB 3.29Å; E178-F182 PolarHBondContact O-N 3.43Å; K179-F182 PolarHBondContact O-N 3.01Å; F182-S184 VanDerWaalsContact C-N 3.26Å; F182-S184 PolarHBondContact O-N 3.08Å; F182-A185 PolarHBondContact O-N 3.16Å; F182-D186 PolarHBondContact O-N 2.86Å; F182-L193 HydrophobicContact CD1-CD2 4.27Å; F182-L193 HydrophobicContact CD1-CG 4.38Å; F182-L193 HydrophobicContact CD2-CD1 3.55Å; F182-L193 HydrophobicContact CD2-CG 3.92Å; F182-L193 HydrophobicContact CE1-CD2 4.17Å; F182-L193 HydrophobicContact CE1-CG 4.03Å; F182-L193 HydrophobicContact CE2-CD1 3.55Å; F182-L193 HydrophobicContact CE2-CD2 4.43Å; F182-L193 HydrophobicContact CE2-CG 3.55Å; F182-L193 HydrophobicContact CG-CD1 4.18Å; F182-L193 HydrophobicContact CG-CD2 4.45Å; F182-L193 HydrophobicContact CG-CG 4.34Å; F182-L193 HydrophobicContact CZ-CD1 4.16Å; F182-L193 HydrophobicContact CZ-CD2 4.27Å; F182-L193 HydrophobicContact CZ-CG 3.62Å; F182-F201 HydrophobicContact CB-CD2 4.36Å; F182-F201 HydrophobicContact CB-CE2 3.98Å; F182-F201 HydrophobicContact CD2-CE2 4.49Å
183	D	97.2	Very high	94.7	Very high	64 Å²	64	48 Å²	48	34%	0.342	24%	0.243	S	C	.	.	H	α-helix	trans	-69.1	-23.8	-179.6	-71.5	-21.2	0	0	0	113.4	K179 L180 K181 K189	K179-D183 WeakPolarHBondContact CE-OD1 3.5Å; K179-D183 WeakPolarHBondContact CE-OD2 3.48Å; K179-D183 IonicContact NZ-OD1 3.89Å; K179-D183 PolarHBondContact NZ-OD1 2.81Å; K179-D183 IonicContact NZ-OD2 3.85Å; K179-D183 WeakPolarHBondContact O-CB 3.19Å; K179-D183 VanDerWaalsContact O-CG 3.26Å; K179-D183 PolarHBondContact O-N 3.01Å; L180-D183 PolarHBondContact O-N 2.85Å; K181-D183 PolarHBondContact O-N 3.33Å; D183-K189 PolarHBondContact O-NZ 2.75Å
184	S	96.4	Very high	95.2	Very high	12 Å²	12	46 Å²	46	8%	0.084	24%	0.235	C	C	.	.	H	α-helix	trans	-73	-39.7	173.1	-58.9	0	0	0	0	110.4	L180 K181 F182 H209	L180-S184 WeakPolarHBondContact O-CB 3.44Å; L180-S184 PolarHBondContact O-N 3.24Å; L180-S184 PolarHBondContact O-OG 3.44Å; K181-S184 WeakPolarHBondContact O-CB 3.48Å; K181-S184 PolarHBondContact O-N 3.27Å; F182-S184 VanDerWaalsContact C-N 3.26Å; F182-S184 PolarHBondContact O-N 3.08Å; S184-H209 PolarHBondContact O-CD2 2.92Å
185	A	97.5	Very high	95.6	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-71.6	-39.3	179.5	0	0	0	0	0	113.1	K181 F182 Q187 L193 E197 F201 M210	K181-A185 PolarHBondContact O-N 3.31Å; K181-A185 VanDerWaalsContact O-N 3.1Å; F182-A185 PolarHBondContact O-N 3.16Å; A185-Q187 PolarHBondContact O-N 3.41Å; A185-L193 HydrophobicContact CB-CD2 3.74Å; A185-E197 WeakPolarHBondContact O-CB 3.29Å; A185-E197 VanDerWaalsContact O-CG 3.28Å; A185-E197 WeakPolarHBondContact O-CG 3.33Å; A185-F201 HydrophobicContact CB-CB 3.84Å; A185-F201 HydrophobicContact CB-CD2 4.41Å; A185-M210 WeakPolarHBondContact CA-SD 3.32Å; A185-M210 HydrophobicContact CB-CE 3.99Å; A185-M210 HydrophobicContact CB-SD 3.65Å; A185-M210 PolarHBondContact N-SD 3.45Å
186	D	97.8	Very high	95.9	Very high	6 Å²	6	53 Å²	53	3%	0.032	27%	0.271	C	S	.	.			trans	-64.3	89.9	175	176.2	8	0	0	0	110.2	F182 D188 K189 T190 G191 L193	F182-D186 PolarHBondContact O-N 2.86Å; D186-D188 VanDerWaalsContact OD1-OD1 3.11Å; D186-K189 VanDerWaalsContact O-CD 3.27Å; D186-K189 WeakPolarHBondContact O-CD 3.3Å; D186-K189 WeakPolarHBondContact O-CE 3.38Å; D186-K189 PolarHBondContact O-NZ 3.47Å; D186-K189 WeakPolarHBondContact OD1-CA 3.24Å; D186-K189 PolarHBondContact OD1-N 3.33Å; D186-K189 WeakPolarHBondContact OD2-CA 3.36Å; D186-T190 PolarHBondContact OD1-N 2.94Å; D186-T190 VanDerWaalsContact OD1-N 3.11Å; D186-G191 VanDerWaalsContact OD2-CA 3.26Å; D186-G191 WeakPolarHBondContact OD2-CA 3.47Å; D186-G191 PolarHBondContact OD2-N 3.17Å; D186-L193 HydrophobicContact CB-CD2 3.89Å
187	Q	97.1	Very high	96.2	Very high	111 Å²	111	50.3 Å²	50.3	52%	0.519	26%	0.257	S	S	.	.	S	Bend	trans	-79.2	-39.1	-175.7	-83.7	-108	8.2	0	0	111.4	A185 K189 E197 H209	A185-Q187 PolarHBondContact O-N 3.41Å; Q187-K189 VanDerWaalsContact C-N 3.25Å; Q187-K189 PolarHBondContact O-N 2.83Å; Q187-E197 PolarHBondContact N-OE1 3.48Å; Q187-H209 PolarHBondContact NE2-CD2 2.95Å; Q187-H209 PolarHBondContact NE2-CE1 2.81Å; Q187-H209 PolarHBondContact NE2-ND1 3.38Å
188	D	96.7	Very high	96.5	Very high	89 Å²	89	48.4 Å²	48.4	48%	0.476	25%	0.248	S	C	.	.	S	Bend	trans	-80.2	-7.9	-178.8	73	10.6	0	0	0	113.8	D186 T190 E197	D186-D188 VanDerWaalsContact OD1-OD1 3.11Å; D188-T190 VanDerWaalsContact C-N 3.29Å; D188-T190 HydrophobicContact CB-CG2 4.45Å; D188-T190 VanDerWaalsContact CG-CG2 3.41Å; D188-T190 PolarHBondContact O-N 3Å; D188-T190 VanDerWaalsContact OD1-CB 3.27Å; D188-T190 WeakPolarHBondContact OD1-CB 3.42Å; D188-T190 WeakPolarHBondContact OD1-CG2 3.36Å; D188-T190 PolarHBondContact OD1-N 2.94Å; D188-T190 VanDerWaalsContact OD1-N 3.07Å; D188-T190 PolarHBondContact OD1-OG1 3.03Å; D188-T190 WeakPolarHBondContact OD2-CG2 3.47Å; D188-E197 PolarHBondContact N-OE1 3.37Å
189	K	96.7	Very high	96.6	Very high	139 Å²	139	46.9 Å²	46.9	60%	0.604	24%	0.241	S	C	*	.			trans	62.2	35.7	176.3	-53.6	-61.1	173.8	-157.7	0	112.3	D183 D186 Q187 G191	D183-K189 PolarHBondContact O-NZ 2.75Å; D186-K189 VanDerWaalsContact O-CD 3.27Å; D186-K189 WeakPolarHBondContact O-CD 3.3Å; D186-K189 WeakPolarHBondContact O-CE 3.38Å; D186-K189 PolarHBondContact O-NZ 3.47Å; D186-K189 WeakPolarHBondContact OD1-CA 3.24Å; D186-K189 PolarHBondContact OD1-N 3.33Å; D186-K189 WeakPolarHBondContact OD2-CA 3.36Å; Q187-K189 VanDerWaalsContact C-N 3.25Å; Q187-K189 PolarHBondContact O-N 2.83Å; K189-G191 VanDerWaalsContact C-N 3.31Å
190	T	97	Very high	96.6	Very high	68 Å²	68	44.6 Å²	44.6	42%	0.417	23%	0.231	S	C	.	.	S	Bend	trans	-77	-20.6	175	53.8	0	0	0	0	112.6	D186 D188 Y192	D186-T190 PolarHBondContact OD1-N 2.94Å; D186-T190 VanDerWaalsContact OD1-N 3.11Å; D188-T190 VanDerWaalsContact C-N 3.29Å; D188-T190 HydrophobicContact CB-CG2 4.45Å; D188-T190 VanDerWaalsContact CG-CG2 3.41Å; D188-T190 PolarHBondContact O-N 3Å; D188-T190 VanDerWaalsContact OD1-CB 3.27Å; D188-T190 WeakPolarHBondContact OD1-CB 3.42Å; D188-T190 WeakPolarHBondContact OD1-CG2 3.36Å; D188-T190 PolarHBondContact OD1-N 2.94Å; D188-T190 VanDerWaalsContact OD1-N 3.07Å; D188-T190 PolarHBondContact OD1-OG1 3.03Å; D188-T190 WeakPolarHBondContact OD2-CG2 3.47Å; T190-Y192 WeakPolarHBondContact O-CD2 3.35Å; T190-Y192 PolarHBondContact OG1-N 2.89Å; T190-Y192 PolarHBondContact OG1-O 3.29Å
191	G	95.9	Very high	96.6	Very high	32 Å²	32	42.2 Å²	42.2	33%	0.33	22%	0.218	S	C	.	.	S	Bend	trans	87.7	6.4	-172	0	0	0	0	0	113.9	D186 K189	D186-G191 VanDerWaalsContact OD2-CA 3.26Å; D186-G191 WeakPolarHBondContact OD2-CA 3.47Å; D186-G191 PolarHBondContact OD2-N 3.17Å; K189-G191 VanDerWaalsContact C-N 3.31Å
192	Y	97.9	Very high	96.3	Very high	100 Å²	100	42.8 Å²	42.8	39%	0.392	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	163.9	177.5	-54	-94.7	0	0	0	108.9	Q139 V140 A141 T190	Q139-Y192 HydrophobicContact CB-CG 4.48Å; V140-Y192 WeakPolarHBondContact O-CA 3.07Å; A141-Y192 HydrophobicContact CB-CD1 3.68Å; A141-Y192 HydrophobicContact CB-CE1 3.73Å; T190-Y192 WeakPolarHBondContact O-CD2 3.35Å; T190-Y192 PolarHBondContact OG1-N 2.89Å; T190-Y192 PolarHBondContact OG1-O 3.29Å
193	L	98.2	Very high	95.9	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.3	171.1	-57.2	178.2	0	0	0	109.7	Q139 V140 F182 A185 D186 E197 F198 F201	Q139-L193 CarbonylContact C-O 3.53Å; Q139-L193 WeakPolarHBondContact CA-O 3.3Å; V140-L193 HydrophobicContact CB-CB 4.39Å; V140-L193 PolarHBondContact N-O 2.92Å; V140-L193 PolarHBondContact O-N 3.23Å; F182-L193 HydrophobicContact CD1-CD2 4.27Å; F182-L193 HydrophobicContact CD1-CG 4.38Å; F182-L193 HydrophobicContact CD2-CD1 3.55Å; F182-L193 HydrophobicContact CD2-CG 3.92Å; F182-L193 HydrophobicContact CE1-CD2 4.17Å; F182-L193 HydrophobicContact CE1-CG 4.03Å; F182-L193 HydrophobicContact CE2-CD1 3.55Å; F182-L193 HydrophobicContact CE2-CD2 4.43Å; F182-L193 HydrophobicContact CE2-CG 3.55Å; F182-L193 HydrophobicContact CG-CD1 4.18Å; F182-L193 HydrophobicContact CG-CD2 4.45Å; F182-L193 HydrophobicContact CG-CG 4.34Å; F182-L193 HydrophobicContact CZ-CD1 4.16Å; F182-L193 HydrophobicContact CZ-CD2 4.27Å; F182-L193 HydrophobicContact CZ-CG 3.62Å; A185-L193 HydrophobicContact CB-CD2 3.74Å; D186-L193 HydrophobicContact CB-CD2 3.89Å; L193-E197 HydrophobicContact CB-CB 4.22Å; L193-E197 HydrophobicContact CD2-CB 3.96Å; L193-F198 HydrophobicContact CB-CB 4.36Å; L193-F198 HydrophobicContact CD1-CD2 4.42Å; L193-F201 HydrophobicContact CD1-CB 3.83Å; L193-F201 HydrophobicContact CD1-CD1 4.37Å; L193-F201 HydrophobicContact CD1-CD2 4.08Å; L193-F201 HydrophobicContact CD1-CG 3.83Å
194	N	97.5	Very high	95.6	Very high	49 Å²	49	42.2 Å²	42.2	26%	0.262	22%	0.217	S	C	.	.			trans	-74.8	173.5	165.4	69.1	57.4	0	0	0	111.3	T196 E197 F198	N194-T196 PolarHBondContact O-N 2.87Å; N194-T196 VanDerWaalsContact O-N 3.14Å; N194-T196 WeakPolarHBondContact OD1-CA 3.19Å; N194-T196 WeakPolarHBondContact OD1-CB 3.02Å; N194-T196 PolarHBondContact OD1-N 2.89Å; N194-E197 VanDerWaalsContact CG-OE2 3.28Å; N194-E197 PolarHBondContact N-OE2 3.16Å; N194-E197 PolarHBondContact ND2-OE2 3.45Å; N194-E197 PolarHBondContact O-N 3.02Å; N194-E197 VanDerWaalsContact O-N 3.16Å; N194-E197 PolarHBondContact OD1-N 2.87Å; N194-E197 VanDerWaalsContact OD1-N 3.07Å; N194-F198 WeakPolarHBondContact O-CB 3.3Å; N194-F198 PolarHBondContact O-N 2.59Å
195	E	95.8	Very high	95.1	Very high	80 Å²	80	43 Å²	43	37%	0.374	22%	0.22	S	C	.	.	H	α-helix	trans	-52.9	-37.9	-178.4	-69	-173.7	-166.9	0	0	113.5	L122 F129 V199	L122-E195 HydrophobicContact CD1-CB 4.04Å; F129-E195 HydrophobicContact CD1-CG 3.9Å; F129-E195 HydrophobicContact CD2-CG 4.26Å; F129-E195 HydrophobicContact CE1-CG 3.74Å; F129-E195 HydrophobicContact CE2-CB 4.44Å; F129-E195 HydrophobicContact CE2-CG 4.1Å; F129-E195 HydrophobicContact CG-CG 4.16Å; F129-E195 HydrophobicContact CZ-CG 3.84Å; E195-V199 VanDerWaalsContact O-CG2 3.31Å; E195-V199 WeakPolarHBondContact O-CG2 3.38Å; E195-V199 PolarHBondContact O-N 3.31Å
196	T	96.1	Very high	94.7	Very high	83 Å²	83	43.6 Å²	43.6	51%	0.509	22%	0.223	S	C	.	.	H	α-helix	trans	-75.7	-39.8	-178.6	-54.9	0	0	0	0	111.7	N194 F198 V199 A200	N194-T196 PolarHBondContact O-N 2.87Å; N194-T196 VanDerWaalsContact O-N 3.14Å; N194-T196 WeakPolarHBondContact OD1-CA 3.19Å; N194-T196 WeakPolarHBondContact OD1-CB 3.02Å; N194-T196 PolarHBondContact OD1-N 2.89Å; T196-F198 VanDerWaalsContact C-N 3.34Å; T196-V199 WeakPolarHBondContact O-CB 3.46Å; T196-V199 PolarHBondContact O-N 3.48Å; T196-A200 PolarHBondContact O-N 3.36Å
197	E	97.9	Very high	94.4	Very high	11 Å²	11	44.5 Å²	44.5	5%	0.051	23%	0.226	C	C	.	.	H	α-helix	trans	-69.7	-35.7	176.9	-64.2	170.4	148.9	0	0	111.2	A185 Q187 D188 L193 N194 V199 A200 F201	A185-E197 WeakPolarHBondContact O-CB 3.29Å; A185-E197 VanDerWaalsContact O-CG 3.28Å; A185-E197 WeakPolarHBondContact O-CG 3.33Å; Q187-E197 PolarHBondContact N-OE1 3.48Å; D188-E197 PolarHBondContact N-OE1 3.37Å; L193-E197 HydrophobicContact CB-CB 4.22Å; L193-E197 HydrophobicContact CD2-CB 3.96Å; N194-E197 VanDerWaalsContact CG-OE2 3.28Å; N194-E197 PolarHBondContact N-OE2 3.16Å; N194-E197 PolarHBondContact ND2-OE2 3.45Å; N194-E197 PolarHBondContact O-N 3.02Å; N194-E197 VanDerWaalsContact O-N 3.16Å; N194-E197 PolarHBondContact OD1-N 2.87Å; N194-E197 VanDerWaalsContact OD1-N 3.07Å; E197-V199 VanDerWaalsContact C-N 3.27Å; E197-V199 PolarHBondContact O-N 3.06Å; E197-A200 PolarHBondContact O-N 3.1Å; E197-A200 VanDerWaalsContact O-N 3.11Å; E197-F201 PolarHBondContact O-N 3.07Å
198	F	96.4	Very high	94.2	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.009	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-36	174.1	-175.4	-98.2	0	0	0	112.1	R128 F129 Y132 V140 L193 N194 T196 F201 E202	R128-F198 HydrophobicContact CB-CE1 4.24Å; F129-F198 HydrophobicContact CB-CD1 3.92Å; F129-F198 HydrophobicContact CB-CE1 4.09Å; F129-F198 HydrophobicContact CD2-CB 3.57Å; F129-F198 AromaticContact CD2-CD1 3.77Å; F129-F198 HydrophobicContact CD2-CD1 3.77Å; F129-F198 HydrophobicContact CD2-CD2 4.19Å; F129-F198 AromaticContact CD2-CG 3.57Å; F129-F198 HydrophobicContact CD2-CG 3.57Å; F129-F198 HydrophobicContact CE2-CB 3.93Å; F129-F198 HydrophobicContact CE2-CG 4.3Å; F129-F198 HydrophobicContact CG-CD1 4.37Å; Y132-F198 HydrophobicContact CD2-CE1 4.42Å; Y132-F198 AromaticContact CD2-CE2 3.66Å; Y132-F198 HydrophobicContact CD2-CE2 3.66Å; Y132-F198 AromaticContact CD2-CZ 3.32Å; Y132-F198 HydrophobicContact CD2-CZ 3.32Å; Y132-F198 HydrophobicContact CE2-CE2 4.17Å; Y132-F198 AromaticContact CE2-CZ 3.65Å; Y132-F198 HydrophobicContact CE2-CZ 3.65Å; Y132-F198 HydrophobicContact CG-CE2 4.02Å; Y132-F198 HydrophobicContact CG-CZ 4.15Å; V140-F198 HydrophobicContact CG2-CD2 4.08Å; V140-F198 HydrophobicContact CG2-CE2 4.4Å; L193-F198 HydrophobicContact CB-CB 4.36Å; L193-F198 HydrophobicContact CD1-CD2 4.42Å; N194-F198 WeakPolarHBondContact O-CB 3.3Å; N194-F198 PolarHBondContact O-N 2.59Å; T196-F198 VanDerWaalsContact C-N 3.34Å; F198-F201 HydrophobicContact CE2-CD1 4.46Å; F198-F201 CarbonylContact O-C 3.42Å; F198-F201 WeakPolarHBondContact O-CB 3.48Å; F198-F201 PolarHBondContact O-N 3.09Å; F198-E202 HydrophobicContact CD1-CG 4.15Å; F198-E202 HydrophobicContact CE1-CG 3.7Å; F198-E202 VanDerWaalsContact CE1-OE1 3.25Å; F198-E202 WeakPolarHBondContact CE1-OE1 3.01Å; F198-E202 HydrophobicContact CZ-CG 3.95Å; F198-E202 WeakPolarHBondContact CZ-OE1 3.41Å; F198-E202 WeakPolarHBondContact O-CG 3.37Å; F198-E202 PolarHBondContact O-N 3.2Å
199	V	94.5	Very high	94.1	Very high	2 Å²	2	45 Å²	45	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-45.2	172.4	179	0	0	0	0	111.3	D121 L122 S125 E195 T196 E197 F201 E202 H203 Y207	D121-V199 HydrophobicContact CB-CG1 3.51Å; L122-V199 HydrophobicContact CB-CG2 4.16Å; L122-V199 HydrophobicContact CD1-CG2 3.8Å; S125-V199 WeakPolarHBondContact OG-CG2 3.48Å; E195-V199 VanDerWaalsContact O-CG2 3.31Å; E195-V199 WeakPolarHBondContact O-CG2 3.38Å; E195-V199 PolarHBondContact O-N 3.31Å; T196-V199 WeakPolarHBondContact O-CB 3.46Å; T196-V199 PolarHBondContact O-N 3.48Å; E197-V199 VanDerWaalsContact C-N 3.27Å; E197-V199 PolarHBondContact O-N 3.06Å; V199-F201 PolarHBondContact O-N 3.05Å; V199-E202 PolarHBondContact O-N 3.4Å; V199-H203 PolarHBondContact O-N 3.34Å; V199-Y207 HydrophobicContact CG1-CE2 3.81Å; V199-Y207 WeakPolarHBondContact CG1-OH 3.4Å
200	A	93.9	Very high	94	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-64.6	-32.2	176.6	0	0	0	0	0	112.4	T196 E197 H203 P204 Y207 H209 M210	T196-A200 PolarHBondContact O-N 3.36Å; E197-A200 PolarHBondContact O-N 3.1Å; E197-A200 VanDerWaalsContact O-N 3.11Å; A200-H203 CarbonylContact O-C 3.59Å; A200-P204 VanDerWaalsContact O-CA 3.27Å; A200-P204 WeakPolarHBondContact O-CA 3.44Å; A200-Y207 VanDerWaalsContact CA-CD2 3.42Å; A200-Y207 HydrophobicContact CB-CD1 4.37Å; A200-Y207 HydrophobicContact CB-CD2 3.67Å; A200-Y207 HydrophobicContact CB-CE2 4.26Å; A200-Y207 HydrophobicContact CB-CG 3.74Å; A200-H209 WeakPolarHBondContact CB-NE2 3.34Å; A200-M210 HydrophobicContact CB-CG 4.08Å; A200-M210 HydrophobicContact CB-SD 4.26Å; A200-M210 WeakPolarHBondContact O-CE 3.45Å
201	F	94.9	Very high	93.8	Very high	7 Å²	7	35.3 Å²	35.3	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-66.5	-36.9	170.4	-176	-97.2	0	0	0	112.2	Y145 K181 F182 A185 L193 E197 F198 V199	Y145-F201 HydrophobicContact CD2-CE1 4.1Å; Y145-F201 HydrophobicContact CD2-CZ 4.31Å; Y145-F201 AromaticContact CE1-CZ 3.97Å; Y145-F201 HydrophobicContact CE1-CZ 3.97Å; Y145-F201 AromaticContact CE2-CE1 3.53Å; Y145-F201 HydrophobicContact CE2-CE1 3.53Å; Y145-F201 AromaticContact CE2-CZ 3.71Å; Y145-F201 HydrophobicContact CE2-CZ 3.71Å; Y145-F201 AromaticContact CZ-CE1 3.81Å; Y145-F201 AromaticContact CZ-CZ 3.5Å; K181-F201 HydrophobicContact CB-CD2 4.26Å; K181-F201 HydrophobicContact CB-CE2 3.81Å; K181-F201 HydrophobicContact CD-CD2 4Å; K181-F201 HydrophobicContact CD-CE2 3.6Å; K181-F201 HydrophobicContact CD-CZ 4Å; K181-F201 WeakPolarHBondContact CE-O 3.25Å; K181-F201 HydrophobicContact CG-CD2 3.68Å; K181-F201 HydrophobicContact CG-CE2 3.56Å; K181-F201 HydrophobicContact CG-CZ 4.44Å; K181-F201 PolarHBondContact NZ-O 3.31Å; F182-F201 HydrophobicContact CB-CD2 4.36Å; F182-F201 HydrophobicContact CB-CE2 3.98Å; F182-F201 HydrophobicContact CD2-CE2 4.49Å; A185-F201 HydrophobicContact CB-CB 3.84Å; A185-F201 HydrophobicContact CB-CD2 4.41Å; L193-F201 HydrophobicContact CD1-CB 3.83Å; L193-F201 HydrophobicContact CD1-CD1 4.37Å; L193-F201 HydrophobicContact CD1-CD2 4.08Å; L193-F201 HydrophobicContact CD1-CG 3.83Å; E197-F201 PolarHBondContact O-N 3.07Å; F198-F201 HydrophobicContact CE2-CD1 4.46Å; F198-F201 CarbonylContact O-C 3.42Å; F198-F201 WeakPolarHBondContact O-CB 3.48Å; F198-F201 PolarHBondContact O-N 3.09Å; V199-F201 PolarHBondContact O-N 3.05Å
202	E	90	Very high	93.6	Very high	41 Å²	41	37.2 Å²	37.2	19%	0.192	18%	0.179	C	C	.	.	H	α-helix	trans	-74.4	-36.8	175.8	-68.7	-165.5	135.1	0	0	112.9	S125 R128 F198 V199 P204	S125-E202 WeakPolarHBondContact CA-OE2 3.2Å; S125-E202 WeakPolarHBondContact CB-OE2 3.45Å; R128-E202 WeakPolarHBondContact CD-OE1 3.18Å; R128-E202 IonicContact CZ-OE1 3.82Å; R128-E202 IonicContact CZ-OE2 3.59Å; R128-E202 VanDerWaalsContact NE-CD 3.27Å; R128-E202 IonicContact NE-OE1 3.47Å; R128-E202 PolarHBondContact NE-OE1 3.39Å; R128-E202 IonicContact NE-OE2 2.75Å; R128-E202 PolarHBondContact NE-OE2 2.95Å; R128-E202 VanDerWaalsContact NE-OE2 3.16Å; R128-E202 IonicContact NH2-OE1 3.58Å; R128-E202 IonicContact NH2-OE2 3.49Å; R128-E202 PolarHBondContact NH2-OE2 3.42Å; F198-E202 HydrophobicContact CD1-CG 4.15Å; F198-E202 HydrophobicContact CE1-CG 3.7Å; F198-E202 VanDerWaalsContact CE1-OE1 3.25Å; F198-E202 WeakPolarHBondContact CE1-OE1 3.01Å; F198-E202 HydrophobicContact CZ-CG 3.95Å; F198-E202 WeakPolarHBondContact CZ-OE1 3.41Å; F198-E202 WeakPolarHBondContact O-CG 3.37Å; F198-E202 PolarHBondContact O-N 3.2Å; V199-E202 PolarHBondContact O-N 3.4Å; E202-P204 VanDerWaalsContact O-CD 3.31Å; E202-P204 WeakPolarHBondContact O-CD 3.17Å
203	H	88.1	Confident	93.3	Very high	42 Å²	42	33.8 Å²	33.8	19%	0.194	17%	0.165	C	C	.	.			trans	-123.9	62.7	-174.5	-56.4	-69	0	0	0	112.3	V199 A200 H205 N206 Y207	V199-H203 PolarHBondContact O-N 3.34Å; A200-H203 CarbonylContact O-C 3.59Å; H203-H205 VanDerWaalsContact C-N 3.34Å; H203-H205 PolarHBondContact O-N 3.04Å; H203-N206 HydrophobicContact CB-CB 4.21Å; H203-N206 WeakPolarHBondContact O-CB 3.12Å; H203-N206 PolarHBondContact O-N 3.44Å; H203-Y207 HydrophobicContact CB-CE2 4.3Å; H203-Y207 VanDerWaalsContact O-CD2 3.28Å; H203-Y207 WeakPolarHBondContact O-CD2 3.41Å
204	P	90.8	Very high	92.9	Very high	10 Å²	10	35.4 Å²	35.4	7%	0.065	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-56.2	-39.5	-171.8	18.5	-31.5	0	0	0	114.8	A200 E202 N206 Y207 M210 Y213 E214 T274	A200-P204 VanDerWaalsContact O-CA 3.27Å; A200-P204 WeakPolarHBondContact O-CA 3.44Å; E202-P204 VanDerWaalsContact O-CD 3.31Å; E202-P204 WeakPolarHBondContact O-CD 3.17Å; P204-N206 PolarHBondContact O-N 3.33Å; P204-Y207 PolarHBondContact O-N 3.42Å; P204-Y207 VanDerWaalsContact O-N 3.13Å; P204-M210 HydrophobicContact CB-CB 3.79Å; P204-M210 HydrophobicContact CB-CE 3.84Å; P204-M210 HydrophobicContact CB-CG 4.15Å; P204-M210 VanDerWaalsContact O-CB 3.3Å; P204-M210 WeakPolarHBondContact O-CB 3.47Å; P204-Y213 HydrophobicContact CB-CD1 4.09Å; P204-Y213 HydrophobicContact CB-CE1 4.33Å; P204-Y213 HydrophobicContact CG-CD1 4.34Å; P204-Y213 HydrophobicContact CG-CE1 4.07Å; P204-E214 HydrophobicContact CB-CG 4.14Å; P204-E214 WeakPolarHBondContact CB-OE1 3.49Å; P204-E214 WeakPolarHBondContact CG-OE1 3.48Å; P204-T274 WeakPolarHBondContact O-CG2 3.38Å
205	H	87.4	Confident	92.5	Very high	29 Å²	29	34 Å²	34	13%	0.134	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-59.6	-24.6	175.8	62.2	-87	0	0	0	114.3	Y46 H203 Y207 E214 T274 P275 G276	Y46-H205 AromaticContact CD2-CE1 3.9Å; Y46-H205 AromaticContact CE2-CD2 3.92Å; Y46-H205 AromaticContact CE2-CE1 3.07Å; Y46-H205 WeakPolarHBondContact CE2-CE1 3.35Å; Y46-H205 AromaticContact CE2-ND1 3.77Å; Y46-H205 AromaticContact CE2-NE2 3.18Å; Y46-H205 WeakPolarHBondContact CE2-NE2 2.92Å; Y46-H205 AromaticContact CZ-CD2 3.8Å; Y46-H205 AromaticContact CZ-CE1 3.68Å; Y46-H205 AromaticContact CZ-NE2 3.56Å; Y46-H205 PolarHBondContact OH-CD2 3.14Å; Y46-H205 PolarHBondContact OH-NE2 3.05Å; Y46-H205 VanDerWaalsContact OH-NE2 3.16Å; H203-H205 VanDerWaalsContact C-N 3.34Å; H203-H205 PolarHBondContact O-N 3.04Å; H205-Y207 VanDerWaalsContact C-N 3.3Å; H205-Y207 PolarHBondContact O-N 3.22Å; H205-E214 PolarHBondContact N-OE1 2.91Å; H205-T274 CarbonylContact O-C 3.49Å; H205-T274 WeakPolarHBondContact O-CA 3.07Å; H205-P275 WeakPolarHBondContact O-CD 3.49Å; H205-G276 PolarHBondContact O-N 2.75Å
206	N	87.8	Confident	92.2	Very high	12 Å²	12	34 Å²	34	6%	0.064	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-77	-18.1	179.7	-79.7	-15.2	0	0	0	112.4	D121 H203 P204 G276 F277	D121-N206 PolarHBondContact OD2-ND2 2.81Å; H203-N206 HydrophobicContact CB-CB 4.21Å; H203-N206 WeakPolarHBondContact O-CB 3.12Å; H203-N206 PolarHBondContact O-N 3.44Å; P204-N206 PolarHBondContact O-N 3.33Å; N206-G276 VanDerWaalsContact O-CA 3.32Å; N206-G276 WeakPolarHBondContact O-CA 3.3Å; N206-F277 HydrophobicContact CB-CE1 4.06Å; N206-F277 HydrophobicContact CB-CE2 4.08Å; N206-F277 HydrophobicContact CB-CZ 3.54Å; N206-F277 WeakPolarHBondContact ND2-CE1 3.18Å; N206-F277 VanDerWaalsContact ND2-CZ 3.34Å; N206-F277 WeakPolarHBondContact ND2-CZ 3.29Å; N206-F277 WeakPolarHBondContact OD1-CE1 3.49Å
207	Y	91.7	Very high	91.6	Very high	25 Å²	25	32 Å²	32	10%	0.098	15%	0.148	C	C	.	.			trans	-125.7	114.3	-168.7	-61.1	-84.9	0	0	0	112.8	I118 V199 A200 H203 P204 H205 H209 M210	I118-Y207 HydrophobicContact CG1-CE1 4.38Å; V199-Y207 HydrophobicContact CG1-CE2 3.81Å; V199-Y207 WeakPolarHBondContact CG1-OH 3.4Å; A200-Y207 VanDerWaalsContact CA-CD2 3.42Å; A200-Y207 HydrophobicContact CB-CD1 4.37Å; A200-Y207 HydrophobicContact CB-CD2 3.67Å; A200-Y207 HydrophobicContact CB-CE2 4.26Å; A200-Y207 HydrophobicContact CB-CG 3.74Å; H203-Y207 HydrophobicContact CB-CE2 4.3Å; H203-Y207 VanDerWaalsContact O-CD2 3.28Å; H203-Y207 WeakPolarHBondContact O-CD2 3.41Å; P204-Y207 PolarHBondContact O-N 3.42Å; P204-Y207 VanDerWaalsContact O-N 3.13Å; H205-Y207 VanDerWaalsContact C-N 3.3Å; H205-Y207 PolarHBondContact O-N 3.22Å; Y207-H209 PolarHBondContact O-N 2.89Å; Y207-M210 VanDerWaalsContact O-CB 3.29Å; Y207-M210 WeakPolarHBondContact O-CB 3.23Å; Y207-M210 PolarHBondContact O-N 3.1Å
208	R	92.3	Very high	91	Very high	151 Å²	151	32.3 Å²	32.3	57%	0.57	15%	0.151	S	C	*	.	G	3₁₀ helix	trans	-51.5	-30.7	-173.6	-171.9	167.7	-176.5	157.6	5.9	116.3	M210 A211 T274	R208-M210 PolarHBondContact O-N 3.34Å; R208-A211 WeakPolarHBondContact O-CB 3.38Å; R208-A211 PolarHBondContact O-N 3.1Å; R208-T274 WeakPolarHBondContact CA-OG1 3.47Å
209	H	94.3	Very high	90.7	Very high	59 Å²	59	34.3 Å²	34.3	27%	0.273	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-75	-12.9	-179.3	61	-91.2	0	0	0	113.9	S184 Q187 A200 Y207 A211 P212	S184-H209 PolarHBondContact O-CD2 2.92Å; Q187-H209 PolarHBondContact NE2-CD2 2.95Å; Q187-H209 PolarHBondContact NE2-CE1 2.81Å; Q187-H209 PolarHBondContact NE2-ND1 3.38Å; A200-H209 WeakPolarHBondContact CB-NE2 3.34Å; Y207-H209 PolarHBondContact O-N 2.89Å; H209-A211 VanDerWaalsContact C-N 3.28Å; H209-P212 WeakPolarHBondContact O-CD 3.38Å
210	M	94.7	Very high	90.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-82.4	-5.5	175.1	-62	-61.6	-69.1	0	0	113.1	K181 A185 A200 P204 Y207 R208 P212 Y213 E214	K181-M210 HydrophobicContact CG-CE 3.91Å; K181-M210 WeakPolarHBondContact O-CE 3.4Å; A185-M210 WeakPolarHBondContact CA-SD 3.32Å; A185-M210 HydrophobicContact CB-CE 3.99Å; A185-M210 HydrophobicContact CB-SD 3.65Å; A185-M210 PolarHBondContact N-SD 3.45Å; A200-M210 HydrophobicContact CB-CG 4.08Å; A200-M210 HydrophobicContact CB-SD 4.26Å; A200-M210 WeakPolarHBondContact O-CE 3.45Å; P204-M210 HydrophobicContact CB-CB 3.79Å; P204-M210 HydrophobicContact CB-CE 3.84Å; P204-M210 HydrophobicContact CB-CG 4.15Å; P204-M210 VanDerWaalsContact O-CB 3.3Å; P204-M210 WeakPolarHBondContact O-CB 3.47Å; Y207-M210 VanDerWaalsContact O-CB 3.29Å; Y207-M210 WeakPolarHBondContact O-CB 3.23Å; Y207-M210 PolarHBondContact O-N 3.1Å; R208-M210 PolarHBondContact O-N 3.34Å; M210-P212 VanDerWaalsContact C-N 3.3Å; M210-P212 VanDerWaalsContact O-N 3.16Å; M210-Y213 WeakPolarHBondContact O-CB 3.43Å; M210-Y213 PolarHBondContact O-N 3.36Å; M210-E214 PolarHBondContact O-N 3.49Å
211	A	93.2	Very high	89.8	Confident	5 Å²	5	44.2 Å²	44.2	4%	0.041	21%	0.205	C	C	.	.	H	α-helix	trans	-49.1	-40.3	177.9	0	0	0	0	0	114.3	R208 H209 Y213 E214 L215 A270 V273 T274	R208-A211 WeakPolarHBondContact O-CB 3.38Å; R208-A211 PolarHBondContact O-N 3.1Å; H209-A211 VanDerWaalsContact C-N 3.28Å; A211-Y213 PolarHBondContact O-N 2.86Å; A211-Y213 VanDerWaalsContact O-N 3.17Å; A211-E214 PolarHBondContact O-N 2.95Å; A211-L215 HydrophobicContact CB-CD1 4.39Å; A211-L215 WeakPolarHBondContact O-CB 3.27Å; A211-L215 WeakPolarHBondContact O-CG 3.39Å; A211-L215 PolarHBondContact O-N 3.06Å; A211-A270 HydrophobicContact CB-CB 3.55Å; A211-V273 HydrophobicContact CB-CG2 4.4Å; A211-T274 HydrophobicContact CB-CG2 4.13Å
212	P	91.8	Very high	89.5	Confident	72 Å²	72	46.8 Å²	46.8	47%	0.468	22%	0.216	S	C	.	.	H	α-helix	trans	-56.4	-33.7	178	-26.5	36.7	0	0	0	114.4	H209 M210	H209-P212 WeakPolarHBondContact O-CD 3.38Å; M210-P212 VanDerWaalsContact C-N 3.3Å; M210-P212 VanDerWaalsContact O-N 3.16Å
213	Y	92.1	Very high	89.5	Confident	27 Å²	27	45.7 Å²	45.7	11%	0.106	21%	0.212	C	C	.	.	H	α-helix	trans	-73.9	-53.4	174.2	165.2	-104.4	0	0	0	111.1	K181 P204 M210 A211 L215 K216 H217	K181-Y213 HydrophobicContact CB-CD1 4.25Å; K181-Y213 HydrophobicContact CB-CD2 3.48Å; K181-Y213 VanDerWaalsContact CB-CD2 3.48Å; K181-Y213 HydrophobicContact CB-CE1 4.36Å; K181-Y213 HydrophobicContact CB-CE2 3.62Å; K181-Y213 HydrophobicContact CB-CG 3.81Å; K181-Y213 HydrophobicContact CD-CD1 4.34Å; K181-Y213 HydrophobicContact CD-CE1 3.8Å; K181-Y213 HydrophobicContact CD-CE2 4.05Å; K181-Y213 HydrophobicContact CG-CD1 3.82Å; K181-Y213 HydrophobicContact CG-CD2 3.98Å; K181-Y213 HydrophobicContact CG-CE1 3.81Å; K181-Y213 HydrophobicContact CG-CE2 3.97Å; K181-Y213 HydrophobicContact CG-CG 3.9Å; P204-Y213 HydrophobicContact CB-CD1 4.09Å; P204-Y213 HydrophobicContact CB-CE1 4.33Å; P204-Y213 HydrophobicContact CG-CD1 4.34Å; P204-Y213 HydrophobicContact CG-CE1 4.07Å; M210-Y213 WeakPolarHBondContact O-CB 3.43Å; M210-Y213 PolarHBondContact O-N 3.36Å; A211-Y213 PolarHBondContact O-N 2.86Å; A211-Y213 VanDerWaalsContact O-N 3.17Å; Y213-L215 VanDerWaalsContact C-N 3.31Å; Y213-L215 PolarHBondContact O-N 3.45Å; Y213-K216 WeakPolarHBondContact O-CB 2.89Å; Y213-K216 PolarHBondContact O-N 3.17Å; Y213-K216 VanDerWaalsContact O-N 3.09Å; Y213-H217 AromaticContact CE2-NE2 3.53Å; Y213-H217 AromaticContact CZ-NE2 3.71Å
214	E	88.7	Confident	89.7	Confident	36 Å²	36	50.3 Å²	50.3	17%	0.168	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-37.5	-177.6	-70	-69.8	-178	0	0	113.4	P204 H205 M210 A211 K216 H217 T218 V273 T274	P204-E214 HydrophobicContact CB-CG 4.14Å; P204-E214 WeakPolarHBondContact CB-OE1 3.49Å; P204-E214 WeakPolarHBondContact CG-OE1 3.48Å; H205-E214 PolarHBondContact N-OE1 2.91Å; M210-E214 PolarHBondContact O-N 3.49Å; A211-E214 PolarHBondContact O-N 2.95Å; E214-K216 PolarHBondContact O-N 3.27Å; E214-H217 PolarHBondContact O-N 3.46Å; E214-T218 PolarHBondContact O-N 2.91Å; E214-T218 VanDerWaalsContact O-N 3.12Å; E214-T218 PolarHBondContact O-OG1 2.82Å; E214-V273 HydrophobicContact CB-CB 3.82Å; E214-V273 HydrophobicContact CB-CG2 3.53Å; E214-V273 HydrophobicContact CG-CG2 4.49Å; E214-T274 HydrophobicContact CG-CG2 4.23Å
215	L	90.8	Very high	89.8	Confident	19 Å²	19	55 Å²	55	10%	0.099	26%	0.256	C	S	.	.	H	α-helix	trans	-62.1	-29.8	177.8	-74.1	175.8	0	0	0	112.3	A211 Y213 H217 T218 L219 P266 M269 V273	A211-L215 HydrophobicContact CB-CD1 4.39Å; A211-L215 WeakPolarHBondContact O-CB 3.27Å; A211-L215 WeakPolarHBondContact O-CG 3.39Å; A211-L215 PolarHBondContact O-N 3.06Å; Y213-L215 VanDerWaalsContact C-N 3.31Å; Y213-L215 PolarHBondContact O-N 3.45Å; L215-H217 VanDerWaalsContact C-N 3.34Å; L215-H217 PolarHBondContact O-N 2.89Å; L215-T218 PolarHBondContact O-N 3.06Å; L215-L219 VanDerWaalsContact O-CB 3.31Å; L215-L219 WeakPolarHBondContact O-CB 3.4Å; L215-L219 WeakPolarHBondContact O-CG 3.43Å; L215-L219 PolarHBondContact O-N 2.98Å; L215-P266 HydrophobicContact CD1-CB 4.5Å; L215-M269 HydrophobicContact CD2-CB 3.21Å; L215-M269 HydrophobicContact CD2-CE 4.43Å; L215-M269 HydrophobicContact CD2-CG 4.3Å; L215-M269 HydrophobicContact CD2-SD 4.27Å; L215-V273 HydrophobicContact CD2-CG1 4.23Å; L215-V273 HydrophobicContact CD2-CG2 3.94Å; L215-V273 HydrophobicContact CG-CG2 4.1Å
216	K	88.3	Confident	90.1	Very high	81 Å²	81	62.1 Å²	62.1	35%	0.352	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-42.3	179.8	-174.9	178.2	170.5	-176.3	0	111.2	E177 L180 Y213 E214 R220	E177-K216 HydrophobicContact CG-CD 4.12Å; E177-K216 WeakPolarHBondContact OE1-CE 3.42Å; E177-K216 IonicContact OE1-NZ 3.69Å; E177-K216 PolarHBondContact OE1-NZ 3.38Å; L180-K216 HydrophobicContact CD2-CB 4.49Å; L180-K216 HydrophobicContact CD2-CD 3.98Å; Y213-K216 WeakPolarHBondContact O-CB 2.89Å; Y213-K216 PolarHBondContact O-N 3.17Å; Y213-K216 VanDerWaalsContact O-N 3.09Å; E214-K216 PolarHBondContact O-N 3.27Å; K216-R220 WeakPolarHBondContact O-CB 3.5Å; K216-R220 PolarHBondContact O-N 3.31Å; K216-R220 VanDerWaalsContact O-N 3.16Å
217	H	84	Confident	90.4	Very high	39 Å²	39	65.4 Å²	65.4	18%	0.181	30%	0.304	C	S	.	.	H	α-helix	trans	-68.3	-46.3	176.4	-66.6	-83.3	0	0	0	110.4	E177 Y213 E214 L215 L219 R220 D221	E177-H217 IonicContact OE2-CE1 2.73Å; Y213-H217 AromaticContact CE2-NE2 3.53Å; Y213-H217 AromaticContact CZ-NE2 3.71Å; E214-H217 PolarHBondContact O-N 3.46Å; L215-H217 VanDerWaalsContact C-N 3.34Å; L215-H217 PolarHBondContact O-N 2.89Å; H217-L219 PolarHBondContact O-N 3.02Å; H217-R220 PolarHBondContact ND1-NH2 2.82Å; H217-R220 WeakPolarHBondContact O-CB 3.46Å; H217-R220 PolarHBondContact O-N 2.86Å; H217-D221 PolarHBondContact O-N 3.26Å
218	T	84.6	Confident	90.5	Very high	18 Å²	18	65.4 Å²	65.4	11%	0.11	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-48.1	-179.5	-54.8	0	0	0	0	112.3	E214 L215 R220 D221 F222 I230 W272 V273	E214-T218 PolarHBondContact O-N 2.91Å; E214-T218 VanDerWaalsContact O-N 3.12Å; E214-T218 PolarHBondContact O-OG1 2.82Å; L215-T218 PolarHBondContact O-N 3.06Å; T218-R220 PolarHBondContact O-N 3.22Å; T218-D221 PolarHBondContact O-N 3.04Å; T218-F222 HydrophobicContact CG2-CD2 4.08Å; T218-F222 WeakPolarHBondContact O-CD2 3.37Å; T218-F222 PolarHBondContact O-N 3.02Å; T218-I230 HydrophobicContact CG2-CD1 3.72Å; T218-W272 HydrophobicContact CG2-CE3 3.99Å; T218-W272 HydrophobicContact CG2-CH2 3.71Å; T218-W272 HydrophobicContact CG2-CZ3 3.4Å; T218-V273 HydrophobicContact CG2-CG1 3.88Å; T218-V273 WeakPolarHBondContact OG1-CG1 3.35Å
219	L	89.6	Confident	90.6	Very high	45 Å²	45	61.1 Å²	61.1	24%	0.236	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-40.9	176.2	-74.8	170.5	0	0	0	111.9	L215 H217 D221 D223 I230 M269	L215-L219 VanDerWaalsContact O-CB 3.31Å; L215-L219 WeakPolarHBondContact O-CB 3.4Å; L215-L219 WeakPolarHBondContact O-CG 3.43Å; L215-L219 PolarHBondContact O-N 2.98Å; H217-L219 PolarHBondContact O-N 3.02Å; L219-D221 PolarHBondContact O-N 2.91Å; L219-D223 HydrophobicContact CB-CB 4.32Å; L219-D223 HydrophobicContact CD2-CB 3.7Å; L219-D223 WeakPolarHBondContact O-CA 3.31Å; L219-D223 VanDerWaalsContact O-CB 3.26Å; L219-D223 WeakPolarHBondContact O-CB 3.46Å; L219-D223 PolarHBondContact O-N 3.37Å; L219-I230 HydrophobicContact CD2-CD1 4.44Å; L219-I230 HydrophobicContact CD2-CG1 4.22Å; L219-M269 HydrophobicContact CD2-CE 3.91Å; L219-M269 HydrophobicContact CD2-SD 3.91Å; L219-M269 HydrophobicContact CG-CE 4.47Å; L219-M269 HydrophobicContact CG-SD 4.45Å
220	R	86.6	Confident	90.5	Very high	132 Å²	132	58.3 Å²	58.3	50%	0.498	28%	0.284	S	S	.	.	H	α-helix	trans	-58	-36.8	176.6	-179.1	-172.6	68.5	-167	1.7	111.8	K216 H217 T218	K216-R220 WeakPolarHBondContact O-CB 3.5Å; K216-R220 PolarHBondContact O-N 3.31Å; K216-R220 VanDerWaalsContact O-N 3.16Å; H217-R220 PolarHBondContact ND1-NH2 2.82Å; H217-R220 WeakPolarHBondContact O-CB 3.46Å; H217-R220 PolarHBondContact O-N 2.86Å; T218-R220 PolarHBondContact O-N 3.22Å
221	D	85	Confident	90.6	Very high	79 Å²	79	60 Å²	60	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-88.6	-33.3	-171.7	-62.6	-9.8	0	0	0	111.8	H217 T218 L219 K224	H217-D221 PolarHBondContact O-N 3.26Å; T218-D221 PolarHBondContact O-N 3.04Å; L219-D221 PolarHBondContact O-N 2.91Å; D221-K224 PolarHBondContact O-NZ 2.91Å
222	F	87.4	Confident	90.5	Very high	61 Å²	61	62.8 Å²	62.8	27%	0.268	31%	0.308	S	S	.	.	H	α-helix	trans	-107.7	-42.3	-175.8	-71.2	-91.8	0	0	0	115	T218 K224 I230 E234 W272	T218-F222 HydrophobicContact CG2-CD2 4.08Å; T218-F222 WeakPolarHBondContact O-CD2 3.37Å; T218-F222 PolarHBondContact O-N 3.02Å; F222-K224 WeakPolarHBondContact O-CG 3.32Å; F222-K224 PolarHBondContact O-N 3.31Å; F222-I230 HydrophobicContact CB-CD1 3.59Å; F222-I230 HydrophobicContact CB-CG1 3.95Å; F222-I230 HydrophobicContact CB-CG2 4.09Å; F222-I230 HydrophobicContact CG-CD1 4.28Å; F222-E234 WeakPolarHBondContact O-CB 3.35Å; F222-W272 HydrophobicContact CD1-CH2 4.34Å; F222-W272 AromaticContact CD2-CH2 3.89Å; F222-W272 HydrophobicContact CD2-CH2 3.89Å; F222-W272 HydrophobicContact CE1-CH2 4.15Å; F222-W272 AromaticContact CE2-CH2 3.7Å; F222-W272 HydrophobicContact CE2-CH2 3.7Å; F222-W272 HydrophobicContact CE2-CZ2 4.19Å; F222-W272 HydrophobicContact CG-CH2 4.21Å; F222-W272 AromaticContact CZ-CH2 3.83Å; F222-W272 HydrophobicContact CZ-CH2 3.83Å; F222-W272 HydrophobicContact CZ-CZ2 4.14Å
223	D	91.1	Very high	90.5	Very high	18 Å²	18	66.5 Å²	66.5	10%	0.096	32%	0.323	C	S	.	.			trans	-74.6	93.8	-175.8	174.5	10.2	0	0	0	110.6	L219 K226 D227 G228 I230	L219-D223 HydrophobicContact CB-CB 4.32Å; L219-D223 HydrophobicContact CD2-CB 3.7Å; L219-D223 WeakPolarHBondContact O-CA 3.31Å; L219-D223 VanDerWaalsContact O-CB 3.26Å; L219-D223 WeakPolarHBondContact O-CB 3.46Å; L219-D223 PolarHBondContact O-N 3.37Å; D223-K226 WeakPolarHBondContact OD1-CA 3.43Å; D223-K226 PolarHBondContact OD1-N 3.13Å; D223-K226 VanDerWaalsContact OD2-CA 3.32Å; D223-K226 WeakPolarHBondContact OD2-CA 3.28Å; D223-D227 PolarHBondContact OD1-N 2.75Å; D223-D227 PolarHBondContact OD2-N 2.93Å; D223-G228 WeakPolarHBondContact OD2-CA 3.38Å; D223-G228 PolarHBondContact OD2-N 3.14Å; D223-I230 HydrophobicContact CB-CG1 4.46Å
224	K	91.1	Very high	90.5	Very high	139 Å²	139	66.2 Å²	66.2	60%	0.604	32%	0.323	S	S	*	.	S	Bend	trans	-83.6	-33.1	-173.7	-61.5	-46.8	-174	-166.1	0	111.8	D221 F222 E234	D221-K224 PolarHBondContact O-NZ 2.91Å; F222-K224 WeakPolarHBondContact O-CG 3.32Å; F222-K224 PolarHBondContact O-N 3.31Å; K224-E234 HydrophobicContact CG-CG 4.48Å; K224-E234 PolarHBondContact N-OE1 3.43Å
225	D	94	Very high	90.4	Very high	109 Å²	109	65.2 Å²	65.2	58%	0.583	32%	0.318	S	S	*	.	S	Bend	trans	-88.6	-9.8	-179.4	78.4	5.7	0	0	0	113.9	D227 E234	D225-D227 WeakPolarHBondContact OD1-CB 3.47Å; D225-D227 PolarHBondContact OD1-N 3.11Å; D225-D227 VanDerWaalsContact OD1-N 3.1Å; D225-E234 PolarHBondContact N-OE1 3.25Å
226	K	92.7	Very high	90.3	Very high	178 Å²	178	65.5 Å²	65.5	77%	0.774	32%	0.319	S	S	*	.			trans	67.1	34.7	175.6	-55	-176.1	177.7	-174.3	0	113.2	D223 G228	D223-K226 WeakPolarHBondContact OD1-CA 3.43Å; D223-K226 PolarHBondContact OD1-N 3.13Å; D223-K226 VanDerWaalsContact OD2-CA 3.32Å; D223-K226 WeakPolarHBondContact OD2-CA 3.28Å; K226-G228 VanDerWaalsContact C-N 3.35Å
227	D	94.7	Very high	90	Very high	81 Å²	81	64 Å²	64	43%	0.433	32%	0.322	S	S	.	.	S	Bend	trans	-85	-9.2	176.9	86.2	-11	0	0	0	113.6	D223 D225 F229	D223-D227 PolarHBondContact OD1-N 2.75Å; D223-D227 PolarHBondContact OD2-N 2.93Å; D225-D227 WeakPolarHBondContact OD1-CB 3.47Å; D225-D227 PolarHBondContact OD1-N 3.11Å; D225-D227 VanDerWaalsContact OD1-N 3.1Å; D227-F229 WeakPolarHBondContact O-CD2 3.18Å; D227-F229 WeakPolarHBondContact OD1-CA 3.4Å; D227-F229 WeakPolarHBondContact OD1-CB 3.49Å; D227-F229 PolarHBondContact OD1-N 2.82Å
228	G	93.2	Very high	89.6	Confident	25 Å²	25	66 Å²	66	26%	0.258	33%	0.334	S	S	.	.	S	Bend	trans	85.6	8.9	-179.9	0	0	0	0	0	114.6	D223 K226 M269	D223-G228 WeakPolarHBondContact OD2-CA 3.38Å; D223-G228 PolarHBondContact OD2-N 3.14Å; K226-G228 VanDerWaalsContact C-N 3.35Å; G228-M269 WeakPolarHBondContact O-CE 3.47Å
229	F	95.6	Very high	88.7	Confident	60 Å²	60	73.1 Å²	73.1	26%	0.263	37%	0.372	S	S	.	.	S	Bend	trans	-118	167.1	172.2	-59.8	-98	0	0	0	109.5	D227 K263 L264 D265	D227-F229 WeakPolarHBondContact O-CD2 3.18Å; D227-F229 WeakPolarHBondContact OD1-CA 3.4Å; D227-F229 WeakPolarHBondContact OD1-CB 3.49Å; D227-F229 PolarHBondContact OD1-N 2.82Å; F229-K263 HydrophobicContact CB-CB 4.38Å; F229-K263 HydrophobicContact CB-CD 4Å; F229-K263 HydrophobicContact CD1-CD 3.92Å; F229-K263 HydrophobicContact CD1-CG 4.38Å; F229-K263 HydrophobicContact CG-CD 3.98Å; F229-L264 WeakPolarHBondContact CA-O 3.41Å; F229-D265 HydrophobicContact CD1-CB 3.93Å; F229-D265 HydrophobicContact CE1-CB 3.69Å
230	I	92.5	Very high	87.8	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	108.4	170.7	-66.3	172.7	0	0	0	108.5	T218 L219 F222 D223 E234 K263 L264 M269 W272	T218-I230 HydrophobicContact CG2-CD1 3.72Å; L219-I230 HydrophobicContact CD2-CD1 4.44Å; L219-I230 HydrophobicContact CD2-CG1 4.22Å; F222-I230 HydrophobicContact CB-CD1 3.59Å; F222-I230 HydrophobicContact CB-CG1 3.95Å; F222-I230 HydrophobicContact CB-CG2 4.09Å; F222-I230 HydrophobicContact CG-CD1 4.28Å; D223-I230 HydrophobicContact CB-CG1 4.46Å; I230-E234 HydrophobicContact CG2-CB 4.27Å; I230-K263 CarbonylContact O-C 3.57Å; I230-K263 VanDerWaalsContact O-CA 3.28Å; I230-K263 WeakPolarHBondContact O-CA 3.29Å; I230-L264 HydrophobicContact CB-CB 4.48Å; I230-L264 PolarHBondContact N-O 3.25Å; I230-L264 PolarHBondContact O-N 2.72Å; I230-M269 HydrophobicContact CB-SD 4.21Å; I230-M269 HydrophobicContact CD1-CG 4.35Å; I230-M269 HydrophobicContact CD1-SD 3.4Å; I230-M269 WeakPolarHBondContact CD1-SD 3.49Å; I230-M269 HydrophobicContact CG1-SD 3.64Å; I230-W272 HydrophobicContact CD1-CH2 4.5Å; I230-W272 HydrophobicContact CD1-CZ3 3.71Å
231	S	95	Very high	87.1	Confident	37 Å²	37	76.3 Å²	76.3	26%	0.259	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	157.5	176.1	65	0	0	0	0	112.1	L233 E234 Y235	S231-L233 PolarHBondContact O-N 3.21Å; S231-L233 VanDerWaalsContact O-N 3.13Å; S231-E234 WeakPolarHBondContact CB-OE2 3.28Å; S231-E234 PolarHBondContact N-OE2 3.06Å; S231-E234 PolarHBondContact O-N 3.07Å; S231-E234 WeakPolarHBondContact OG-CG 3.37Å; S231-E234 PolarHBondContact OG-N 2.98Å; S231-E234 PolarHBondContact OG-OE2 3.44Å; S231-Y235 PolarHBondContact O-N 2.81Å
232	E	92.4	Very high	87	Confident	62 Å²	62	77.2 Å²	77.2	29%	0.29	39%	0.394	S	S	.	.	H	α-helix	trans	-54	-35.2	174.1	-169	-166.8	163.2	0	0	111.8	L236 R250 F253 G262	E232-L236 HydrophobicContact CG-CD1 3.84Å; E232-L236 HydrophobicContact CG-CG 4.4Å; E232-L236 WeakPolarHBondContact O-CB 3.37Å; E232-L236 VanDerWaalsContact O-CG 3.29Å; E232-L236 WeakPolarHBondContact O-CG 3.47Å; E232-L236 PolarHBondContact O-N 3Å; E232-R250 IonicContact OE1-CZ 2.76Å; E232-R250 IonicContact OE1-NE 2.72Å; E232-R250 PolarHBondContact OE1-NE 2.94Å; E232-R250 IonicContact OE1-NH2 3.16Å; E232-F253 HydrophobicContact CB-CD1 4.21Å; E232-F253 HydrophobicContact CB-CE1 3.83Å; E232-F253 HydrophobicContact CB-CE2 4.29Å; E232-F253 HydrophobicContact CB-CZ 3.86Å; E232-F253 HydrophobicContact CG-CD1 4.05Å; E232-F253 HydrophobicContact CG-CE1 4.19Å; E232-F253 HydrophobicContact CG-CG 4.32Å; E232-G262 PolarHBondContact N-O 3.2Å; E232-G262 VanDerWaalsContact N-O 3.15Å
233	L	91.8	Very high	86.7	Confident	150 Å²	150	82.6 Å²	82.6	79%	0.785	42%	0.417	S	S	*	.	H	α-helix	trans	-68.1	-37.8	178.4	-70	176.8	0	0	0	112.7	S231 A237	S231-L233 PolarHBondContact O-N 3.21Å; S231-L233 VanDerWaalsContact O-N 3.13Å; L233-A237 WeakPolarHBondContact O-CB 3.31Å; L233-A237 PolarHBondContact O-N 3.11Å
234	E	91.4	Very high	86.4	Confident	22 Å²	22	87.2 Å²	87.2	10%	0.103	44%	0.442	C	S	.	.	H	α-helix	trans	-72.7	-41.6	176.2	-75	165.5	135.1	0	0	111.6	F222 K224 D225 I230 S231 L236 A237	F222-E234 WeakPolarHBondContact O-CB 3.35Å; K224-E234 HydrophobicContact CG-CG 4.48Å; K224-E234 PolarHBondContact N-OE1 3.43Å; D225-E234 PolarHBondContact N-OE1 3.25Å; I230-E234 HydrophobicContact CG2-CB 4.27Å; S231-E234 WeakPolarHBondContact CB-OE2 3.28Å; S231-E234 PolarHBondContact N-OE2 3.06Å; S231-E234 PolarHBondContact O-N 3.07Å; S231-E234 WeakPolarHBondContact OG-CG 3.37Å; S231-E234 PolarHBondContact OG-N 2.98Å; S231-E234 PolarHBondContact OG-OE2 3.44Å; E234-L236 VanDerWaalsContact C-N 3.3Å; E234-L236 PolarHBondContact O-N 3.37Å; E234-A237 VanDerWaalsContact O-CB 3.24Å; E234-A237 WeakPolarHBondContact O-CB 3.48Å; E234-A237 PolarHBondContact O-N 3.46Å
235	Y	87.7	Confident	85.8	Confident	14 Å²	14	81.9 Å²	81.9	6%	0.055	42%	0.424	C	S	.	.	H	α-helix	trans	-57.9	-42.6	175.5	-175	-99.8	0	0	0	112.2	S231 A237 E249 F253 W272	S231-Y235 PolarHBondContact O-N 2.81Å; Y235-A237 VanDerWaalsContact C-N 3.34Å; Y235-E249 HydrophobicContact CE1-CB 4.03Å; Y235-E249 WeakPolarHBondContact CE1-O 3.42Å; Y235-E249 PolarHBondContact OH-OE2 2.87Å; Y235-E249 VanDerWaalsContact OH-OE2 3.11Å; Y235-F253 HydrophobicContact CD1-CB 3.9Å; Y235-F253 AromaticContact CD1-CD2 3.65Å; Y235-F253 HydrophobicContact CD1-CD2 3.65Å; Y235-F253 HydrophobicContact CD1-CG 4.19Å; Y235-F253 HydrophobicContact CD2-CD2 4.05Å; Y235-F253 HydrophobicContact CE1-CB 3.84Å; Y235-F253 HydrophobicContact CE1-CD2 4.24Å; Y235-F253 AromaticContact CG-CD2 3.54Å; Y235-F253 HydrophobicContact CG-CD2 3.54Å; Y235-F253 HydrophobicContact CG-CE2 4.2Å; Y235-F253 HydrophobicContact CG-CG 4.49Å; Y235-W272 AromaticContact CD2-CH2 3.78Å; Y235-W272 HydrophobicContact CD2-CH2 3.78Å; Y235-W272 HydrophobicContact CD2-CZ2 4.14Å; Y235-W272 HydrophobicContact CD2-CZ3 4.08Å; Y235-W272 HydrophobicContact CE2-CD2 4.32Å; Y235-W272 AromaticContact CE2-CE2 3.87Å; Y235-W272 HydrophobicContact CE2-CE3 4.43Å; Y235-W272 AromaticContact CE2-CH2 3.7Å; Y235-W272 HydrophobicContact CE2-CH2 3.7Å; Y235-W272 AromaticContact CE2-CZ2 3.57Å; Y235-W272 HydrophobicContact CE2-CZ2 3.57Å; Y235-W272 HydrophobicContact CE2-CZ3 4.12Å
236	L	87.1	Confident	85.3	Confident	25 Å²	25	79.4 Å²	79.4	13%	0.131	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	10.6	-179.6	-59.8	176.8	0	0	0	113.7	E232 E234 D238 L246 E249 R250	E232-L236 HydrophobicContact CG-CD1 3.84Å; E232-L236 HydrophobicContact CG-CG 4.4Å; E232-L236 WeakPolarHBondContact O-CB 3.37Å; E232-L236 VanDerWaalsContact O-CG 3.29Å; E232-L236 WeakPolarHBondContact O-CG 3.47Å; E232-L236 PolarHBondContact O-N 3Å; E234-L236 VanDerWaalsContact C-N 3.3Å; E234-L236 PolarHBondContact O-N 3.37Å; L236-D238 PolarHBondContact O-N 2.74Å; L236-L246 HydrophobicContact CB-CD2 4.33Å; L236-L246 HydrophobicContact CD2-CD2 4.32Å; L236-E249 HydrophobicContact CD2-CB 3.74Å; L236-R250 HydrophobicContact CD1-CB 4.37Å
237	A	82.9	Confident	84.9	Confident	51 Å²	51	75.9 Å²	75.9	42%	0.421	40%	0.398	S	S	.	.			trans	-74.4	-3.6	-172.9	0	0	0	0	0	114.6	L233 E234 Y235 D239	L233-A237 WeakPolarHBondContact O-CB 3.31Å; L233-A237 PolarHBondContact O-N 3.11Å; E234-A237 VanDerWaalsContact O-CB 3.24Å; E234-A237 WeakPolarHBondContact O-CB 3.48Å; E234-A237 PolarHBondContact O-N 3.46Å; Y235-A237 VanDerWaalsContact C-N 3.34Å; A237-D239 PolarHBondContact O-N 3.15Å
238	D	76.4	Confident	84.3	Confident	80 Å²	80	76.7 Å²	76.7	43%	0.428	40%	0.402	S	S	.	.			trans	-68.8	105.1	178.5	-175.2	5.5	0	0	0	111.5	L236 K240 M241	L236-D238 PolarHBondContact O-N 2.74Å; D238-K240 PolarHBondContact O-N 2.95Å; D238-K240 WeakPolarHBondContact OD1-CB 3.22Å; D238-K240 PolarHBondContact OD1-N 2.61Å; D238-M241 HydrophobicContact CB-CE 4.3Å; D238-M241 HydrophobicContact CB-CG 4.06Å; D238-M241 HydrophobicContact CB-SD 4.36Å; D238-M241 PolarHBondContact O-N 3.4Å
239	D	64.2	Low	83.9	Confident	168 Å²	168	77.8 Å²	77.8	90%	0.898	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-16.8	177.4	-72.6	-34.8	0	0	0	113.7	A237	A237-D239 PolarHBondContact O-N 3.15Å
240	K	71	Confident	83.5	Confident	187 Å²	187	80.1 Å²	80.1	81%	0.813	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.1	179	-62.1	177.9	-176.1	170.6	0	113.5	D238 N242	D238-K240 PolarHBondContact O-N 2.95Å; D238-K240 WeakPolarHBondContact OD1-CB 3.22Å; D238-K240 PolarHBondContact OD1-N 2.61Å; K240-N242 PolarHBondContact O-N 2.96Å
241	M	72.9	Confident	83.3	Confident	57 Å²	57	84.6 Å²	84.6	28%	0.281	43%	0.428	S	S	.	.			trans	-70.4	130.4	-177.9	-72.5	-174.8	170.7	0	0	112.3	D238 A245 L246 E249	D238-M241 HydrophobicContact CB-CE 4.3Å; D238-M241 HydrophobicContact CB-CG 4.06Å; D238-M241 HydrophobicContact CB-SD 4.36Å; D238-M241 PolarHBondContact O-N 3.4Å; M241-A245 HydrophobicContact CB-CB 4.44Å; M241-L246 HydrophobicContact CB-CD2 3.86Å; M241-L246 HydrophobicContact CB-CG 3.91Å; M241-L246 HydrophobicContact SD-CD2 3.89Å; M241-E249 HydrophobicContact CE-CG 3.69Å; M241-E249 HydrophobicContact SD-CG 4.07Å
242	N	82.4	Confident	82.8	Confident	98 Å²	98	85.2 Å²	85.2	52%	0.524	43%	0.428	S	S	.	.			trans	-76.1	168.8	169.4	74.8	42.2	0	0	0	110.6	K240 D244 A245 L246	K240-N242 PolarHBondContact O-N 2.96Å; N242-D244 VanDerWaalsContact C-N 3.3Å; N242-D244 PolarHBondContact O-N 3.06Å; N242-D244 PolarHBondContact OD1-N 2.79Å; N242-A245 PolarHBondContact O-N 3.5Å; N242-A245 WeakPolarHBondContact OD1-CB 3.45Å; N242-A245 PolarHBondContact OD1-N 3.42Å; N242-L246 WeakPolarHBondContact O-CG 3.44Å; N242-L246 PolarHBondContact O-N 3.23Å
243	K	81.7	Confident	82.6	Confident	173 Å²	173	82.4 Å²	82.4	75%	0.752	42%	0.415	S	S	*	.	H	α-helix	trans	-62.7	-33.3	-176.4	-71	-175.1	179.5	-179.7	0	114.1	I247	K243-I247 WeakPolarHBondContact O-CG1 3.39Å; K243-I247 PolarHBondContact O-N 3.02Å
244	D	83.3	Confident	82.6	Confident	116 Å²	116	80.5 Å²	80.5	62%	0.62	40%	0.401	S	S	*	.	H	α-helix	trans	-75.5	-40.7	-178.2	-60.5	-34.1	0	0	0	110.1	N242 L246 I247 I248	N242-D244 VanDerWaalsContact C-N 3.3Å; N242-D244 PolarHBondContact O-N 3.06Å; N242-D244 PolarHBondContact OD1-N 2.79Å; D244-L246 PolarHBondContact O-N 2.93Å; D244-I247 PolarHBondContact O-N 3.23Å; D244-I247 VanDerWaalsContact O-N 3.13Å; D244-I248 WeakPolarHBondContact O-CG1 3.41Å; D244-I248 PolarHBondContact O-N 2.95Å; D244-I248 VanDerWaalsContact O-N 3.13Å
245	A	79.2	Confident	82.4	Confident	27 Å²	27	85 Å²	85	22%	0.223	43%	0.426	C	S	.	.	H	α-helix	trans	-58.4	-45	171.1	0	0	0	0	0	111.3	M241 N242 I247 I248 E249	M241-A245 HydrophobicContact CB-CB 4.44Å; N242-A245 PolarHBondContact O-N 3.5Å; N242-A245 WeakPolarHBondContact OD1-CB 3.45Å; N242-A245 PolarHBondContact OD1-N 3.42Å; A245-I247 PolarHBondContact O-N 3.42Å; A245-I248 PolarHBondContact O-N 3.06Å; A245-I248 VanDerWaalsContact O-N 3.12Å; A245-E249 WeakPolarHBondContact O-CB 3.35Å; A245-E249 WeakPolarHBondContact O-CG 3.34Å; A245-E249 PolarHBondContact O-N 3.37Å
246	L	83.5	Confident	82.4	Confident	56 Å²	56	87.3 Å²	87.3	29%	0.293	44%	0.435	S	S	.	.	H	α-helix	trans	-59.8	-30.5	176	-73.5	173.1	0	0	0	113.7	L236 M241 N242 D244 R250	L236-L246 HydrophobicContact CB-CD2 4.33Å; L236-L246 HydrophobicContact CD2-CD2 4.32Å; M241-L246 HydrophobicContact CB-CD2 3.86Å; M241-L246 HydrophobicContact CB-CG 3.91Å; M241-L246 HydrophobicContact SD-CD2 3.89Å; N242-L246 WeakPolarHBondContact O-CG 3.44Å; N242-L246 PolarHBondContact O-N 3.23Å; D244-L246 PolarHBondContact O-N 2.93Å; L246-R250 VanDerWaalsContact O-CB 3.26Å; L246-R250 WeakPolarHBondContact O-CB 3.47Å; L246-R250 PolarHBondContact O-N 3.36Å; L246-R250 VanDerWaalsContact O-N 3.16Å
247	I	85	Confident	82.7	Confident	104 Å²	104	87 Å²	87	53%	0.533	43%	0.433	S	S	.	.	H	α-helix	trans	-72.7	-45.2	176.1	-66.9	165.2	0	0	0	109.8	K243 D244 A245 R250 E251	K243-I247 WeakPolarHBondContact O-CG1 3.39Å; K243-I247 PolarHBondContact O-N 3.02Å; D244-I247 PolarHBondContact O-N 3.23Å; D244-I247 VanDerWaalsContact O-N 3.13Å; A245-I247 PolarHBondContact O-N 3.42Å; I247-R250 PolarHBondContact O-N 2.85Å; I247-E251 WeakPolarHBondContact O-CG 3.4Å; I247-E251 PolarHBondContact O-N 3.44Å; I247-E251 VanDerWaalsContact O-N 3.17Å
248	I	81.8	Confident	83.2	Confident	98 Å²	98	90.2 Å²	90.2	50%	0.503	44%	0.442	S	S	.	.	H	α-helix	trans	-62.9	-49.6	178.9	-64.7	167.1	0	0	0	110.2	D244 A245 R250 E251 N252	D244-I248 WeakPolarHBondContact O-CG1 3.41Å; D244-I248 PolarHBondContact O-N 2.95Å; D244-I248 VanDerWaalsContact O-N 3.13Å; A245-I248 PolarHBondContact O-N 3.06Å; A245-I248 VanDerWaalsContact O-N 3.12Å; I248-R250 VanDerWaalsContact C-N 3.32Å; I248-R250 PolarHBondContact O-N 3.2Å; I248-E251 PolarHBondContact O-N 2.86Å; I248-N252 PolarHBondContact O-N 3.1Å
249	E	84.2	Confident	84.1	Confident	49 Å²	49	90.5 Å²	90.5	23%	0.229	44%	0.444	C	S	.	.	H	α-helix	trans	-64.8	-35.3	-179.3	-66.7	-49.1	144.7	0	0	112.5	Y235 L236 M241 A245 E251 N252 F253	Y235-E249 HydrophobicContact CE1-CB 4.03Å; Y235-E249 WeakPolarHBondContact CE1-O 3.42Å; Y235-E249 PolarHBondContact OH-OE2 2.87Å; Y235-E249 VanDerWaalsContact OH-OE2 3.11Å; L236-E249 HydrophobicContact CD2-CB 3.74Å; M241-E249 HydrophobicContact CE-CG 3.69Å; M241-E249 HydrophobicContact SD-CG 4.07Å; A245-E249 WeakPolarHBondContact O-CB 3.35Å; A245-E249 WeakPolarHBondContact O-CG 3.34Å; A245-E249 PolarHBondContact O-N 3.37Å; E249-E251 VanDerWaalsContact C-N 3.32Å; E249-E251 PolarHBondContact O-N 3.16Å; E249-N252 WeakPolarHBondContact O-CB 3.31Å; E249-N252 PolarHBondContact O-N 2.86Å; E249-N252 PolarHBondContact OE2-ND2 3.35Å; E249-N252 VanDerWaalsContact OE2-ND2 3.14Å; E249-F253 WeakPolarHBondContact O-CB 3.3Å; E249-F253 PolarHBondContact O-N 3.05Å
250	R	88	Confident	85.5	Confident	108 Å²	108	85.2 Å²	85.2	41%	0.408	43%	0.429	S	S	.	.	H	α-helix	trans	-63	-38.6	172.2	176.2	174.7	-75.6	135.3	6.7	112.3	E232 L236 L246 I247 I248 K254	E232-R250 IonicContact OE1-CZ 2.76Å; E232-R250 IonicContact OE1-NE 2.72Å; E232-R250 PolarHBondContact OE1-NE 2.94Å; E232-R250 IonicContact OE1-NH2 3.16Å; L236-R250 HydrophobicContact CD1-CB 4.37Å; L246-R250 VanDerWaalsContact O-CB 3.26Å; L246-R250 WeakPolarHBondContact O-CB 3.47Å; L246-R250 PolarHBondContact O-N 3.36Å; L246-R250 VanDerWaalsContact O-N 3.16Å; I247-R250 PolarHBondContact O-N 2.85Å; I248-R250 VanDerWaalsContact C-N 3.32Å; I248-R250 PolarHBondContact O-N 3.2Å; R250-K254 WeakPolarHBondContact O-CG 3.09Å; R250-K254 PolarHBondContact O-N 3.18Å
251	E	87.1	Confident	86.6	Confident	94 Å²	94	80.3 Å²	80.3	44%	0.439	41%	0.412	S	S	.	.	H	α-helix	trans	-71.1	-36.5	175.2	-64.7	-56.7	120.4	0	0	111.4	I247 I248 E249 K254 N255	I247-E251 WeakPolarHBondContact O-CG 3.4Å; I247-E251 PolarHBondContact O-N 3.44Å; I247-E251 VanDerWaalsContact O-N 3.17Å; I248-E251 PolarHBondContact O-N 2.86Å; E249-E251 VanDerWaalsContact C-N 3.32Å; E249-E251 PolarHBondContact O-N 3.16Å; E251-K254 PolarHBondContact O-N 3.29Å; E251-K254 IonicContact OE1-NZ 2.72Å; E251-K254 PolarHBondContact OE1-NZ 3Å; E251-K254 IonicContact OE2-NZ 2.69Å; E251-N255 PolarHBondContact O-N 3.31Å; E251-N255 PolarHBondContact O-ND2 2.94Å
252	N	84.4	Confident	87.7	Confident	50 Å²	50	79 Å²	79	27%	0.267	41%	0.412	S	S	.	.	H	α-helix	trans	-60.2	-46.4	172.4	-69.5	-21.1	0	0	0	111.7	I248 E249 K254 N255 Y256	I248-N252 PolarHBondContact O-N 3.1Å; E249-N252 WeakPolarHBondContact O-CB 3.31Å; E249-N252 PolarHBondContact O-N 2.86Å; E249-N252 PolarHBondContact OE2-ND2 3.35Å; E249-N252 VanDerWaalsContact OE2-ND2 3.14Å; N252-K254 VanDerWaalsContact C-N 3.28Å; N252-K254 PolarHBondContact O-N 3.31Å; N252-N255 WeakPolarHBondContact O-CB 3.29Å; N252-N255 PolarHBondContact O-N 3.22Å; N252-Y256 WeakPolarHBondContact O-CD2 3.34Å; N252-Y256 PolarHBondContact O-N 2.95Å
253	F	88.4	Confident	88.3	Confident	3 Å²	3	77.2 Å²	77.2	1%	0.013	40%	0.4	C	S	.	.	H	α-helix	trans	-54.4	-45.1	177.8	-177.7	-89	0	0	0	112	E232 Y235 E249 N255 Y256 D257 L264	E232-F253 HydrophobicContact CB-CD1 4.21Å; E232-F253 HydrophobicContact CB-CE1 3.83Å; E232-F253 HydrophobicContact CB-CE2 4.29Å; E232-F253 HydrophobicContact CB-CZ 3.86Å; E232-F253 HydrophobicContact CG-CD1 4.05Å; E232-F253 HydrophobicContact CG-CE1 4.19Å; E232-F253 HydrophobicContact CG-CG 4.32Å; Y235-F253 HydrophobicContact CD1-CB 3.9Å; Y235-F253 AromaticContact CD1-CD2 3.65Å; Y235-F253 HydrophobicContact CD1-CD2 3.65Å; Y235-F253 HydrophobicContact CD1-CG 4.19Å; Y235-F253 HydrophobicContact CD2-CD2 4.05Å; Y235-F253 HydrophobicContact CE1-CB 3.84Å; Y235-F253 HydrophobicContact CE1-CD2 4.24Å; Y235-F253 AromaticContact CG-CD2 3.54Å; Y235-F253 HydrophobicContact CG-CD2 3.54Å; Y235-F253 HydrophobicContact CG-CE2 4.2Å; Y235-F253 HydrophobicContact CG-CG 4.49Å; E249-F253 WeakPolarHBondContact O-CB 3.3Å; E249-F253 PolarHBondContact O-N 3.05Å; F253-N255 PolarHBondContact O-N 2.99Å; F253-Y256 PolarHBondContact O-N 3.38Å; F253-D257 HydrophobicContact CD1-CB 4.32Å; F253-D257 HydrophobicContact CE1-CB 3.94Å; F253-D257 PolarHBondContact O-N 3.17Å; F253-L264 HydrophobicContact CD2-CD1 4.24Å; F253-L264 HydrophobicContact CD2-CD2 4.38Å; F253-L264 HydrophobicContact CD2-CG 4.23Å; F253-L264 HydrophobicContact CE2-CD1 4.06Å; F253-L264 HydrophobicContact CE2-CD2 3.99Å; F253-L264 HydrophobicContact CE2-CG 3.64Å; F253-L264 HydrophobicContact CZ-CD2 4.14Å; F253-L264 HydrophobicContact CZ-CG 4.1Å
254	K	91.2	Very high	88.9	Confident	111 Å²	111	69 Å²	69	48%	0.483	36%	0.364	S	S	.	.	H	α-helix	trans	-63.9	-25.8	177.8	-68.5	172	-174.4	168.1	0	113.6	R250 E251 N252 Y256	R250-K254 WeakPolarHBondContact O-CG 3.09Å; R250-K254 PolarHBondContact O-N 3.18Å; E251-K254 PolarHBondContact O-N 3.29Å; E251-K254 IonicContact OE1-NZ 2.72Å; E251-K254 PolarHBondContact OE1-NZ 3Å; E251-K254 IonicContact OE2-NZ 2.69Å; N252-K254 VanDerWaalsContact C-N 3.28Å; N252-K254 PolarHBondContact O-N 3.31Å; K254-Y256 VanDerWaalsContact C-N 3.31Å
255	N	88	Confident	89.5	Confident	117 Å²	117	65.3 Å²	65.3	63%	0.626	34%	0.344	S	S	*	.	H	α-helix	trans	-73.8	-27.6	175.9	-63.9	-30.9	0	0	0	111.5	E251 N252 F253	E251-N255 PolarHBondContact O-N 3.31Å; E251-N255 PolarHBondContact O-ND2 2.94Å; N252-N255 WeakPolarHBondContact O-CB 3.29Å; N252-N255 PolarHBondContact O-N 3.22Å; F253-N255 PolarHBondContact O-N 2.99Å
256	Y	87.6	Confident	90.1	Very high	61 Å²	61	67 Å²	67	24%	0.239	35%	0.353	C	S	.	.	H	α-helix	trans	-89.1	-34.3	177	-61.3	-59.4	0	0	0	113.2	N252 F253 K254 I258 E268 L271 W272	N252-Y256 WeakPolarHBondContact O-CD2 3.34Å; N252-Y256 PolarHBondContact O-N 2.95Å; F253-Y256 PolarHBondContact O-N 3.38Å; K254-Y256 VanDerWaalsContact C-N 3.31Å; Y256-I258 PolarHBondContact O-N 3.16Å; Y256-E268 WeakPolarHBondContact O-CB 3.49Å; Y256-E268 VanDerWaalsContact O-CG 3.3Å; Y256-E268 WeakPolarHBondContact O-CG 3.26Å; Y256-L271 HydrophobicContact CD1-CB 4.47Å; Y256-W272 HydrophobicContact CD1-CB 3.89Å; Y256-W272 HydrophobicContact CD2-CB 4.21Å; Y256-W272 HydrophobicContact CD2-CG 4.27Å; Y256-W272 HydrophobicContact CE1-CB 3.89Å; Y256-W272 HydrophobicContact CE1-CG 4.49Å; Y256-W272 HydrophobicContact CE2-CB 4.21Å; Y256-W272 AromaticContact CE2-CD1 3.73Å; Y256-W272 HydrophobicContact CE2-CG 4.05Å; Y256-W272 HydrophobicContact CG-CB 4.05Å; Y256-W272 AromaticContact CZ-CD1 3.76Å
257	D	93.6	Very high	90.5	Very high	18 Å²	18	69.7 Å²	69.7	10%	0.096	37%	0.368	C	S	.	.			trans	-73.5	72	173.3	-179.2	12.5	0	0	0	110.6	F253 N259 G260 D261 G262 L264	F253-D257 HydrophobicContact CD1-CB 4.32Å; F253-D257 HydrophobicContact CE1-CB 3.94Å; F253-D257 PolarHBondContact O-N 3.17Å; D257-N259 PolarHBondContact O-N 3.28Å; D257-G260 PolarHBondContact O-N 3.13Å; D257-G260 WeakPolarHBondContact OD1-CA 3.33Å; D257-G260 PolarHBondContact OD1-N 3.13Å; D257-G260 WeakPolarHBondContact OD2-CA 3.36Å; D257-D261 PolarHBondContact OD1-N 3.47Å; D257-D261 VanDerWaalsContact OD1-N 3.16Å; D257-D261 PolarHBondContact OD2-N 3.33Å; D257-G262 VanDerWaalsContact OD2-CA 3.31Å; D257-G262 WeakPolarHBondContact OD2-CA 3.22Å; D257-G262 PolarHBondContact OD2-N 3.12Å; D257-L264 HydrophobicContact CB-CD2 3.94Å
258	I	92.8	Very high	91	Very high	120 Å²	120	65.2 Å²	65.2	62%	0.615	35%	0.345	S	S	*	.	S	Bend	trans	-61.8	-36	-175.9	-68.6	169.3	0	0	0	110.8	Y256 E268 L271	Y256-I258 PolarHBondContact O-N 3.16Å; I258-E268 PolarHBondContact N-OE1 3.46Å; I258-E268 VanDerWaalsContact N-OE1 3.07Å; I258-L271 HydrophobicContact CD1-CD1 3.42Å; I258-L271 VanDerWaalsContact CD1-CD1 3.42Å
259	N	95	Very high	91.4	Very high	86 Å²	86	60.5 Å²	60.5	46%	0.46	32%	0.321	S	S	.	.	S	Bend	trans	-83.9	-20.3	-177.4	84.3	67.9	0	0	0	113.1	D257 D261 E268	D257-N259 PolarHBondContact O-N 3.28Å; N259-D261 WeakPolarHBondContact OD1-CB 3.42Å; N259-D261 PolarHBondContact OD1-N 3.37Å; N259-D261 PolarHBondContact OD1-OD1 2.83Å; N259-E268 PolarHBondContact N-OE1 3.36Å; N259-E268 VanDerWaalsContact N-OE1 3.07Å; N259-E268 PolarHBondContact ND2-OE1 3.3Å; N259-E268 PolarHBondContact ND2-OE2 3.15Å
260	G	93.9	Very high	91.7	Very high	57 Å²	57	58.7 Å²	58.7	59%	0.588	31%	0.314	S	S	*	.			trans	77.7	26.4	174.3	0	0	0	0	0	114.5	D257	D257-G260 PolarHBondContact O-N 3.13Å; D257-G260 WeakPolarHBondContact OD1-CA 3.33Å; D257-G260 PolarHBondContact OD1-N 3.13Å; D257-G260 WeakPolarHBondContact OD2-CA 3.36Å
261	D	95.8	Very high	91.7	Very high	84 Å²	84	56 Å²	56	45%	0.449	31%	0.307	S	S	.	.	S	Bend	trans	-89.3	-0.8	179.7	77.7	-12.1	0	0	0	114	D257 N259 K263	D257-D261 PolarHBondContact OD1-N 3.47Å; D257-D261 VanDerWaalsContact OD1-N 3.16Å; D257-D261 PolarHBondContact OD2-N 3.33Å; N259-D261 WeakPolarHBondContact OD1-CB 3.42Å; N259-D261 PolarHBondContact OD1-N 3.37Å; N259-D261 PolarHBondContact OD1-OD1 2.83Å; D261-K263 WeakPolarHBondContact OD1-CG 3.38Å; D261-K263 PolarHBondContact OD1-N 2.76Å; D261-K263 WeakPolarHBondContact OD2-CE 3.43Å
262	G	94.8	Very high	91.7	Very high	29 Å²	29	53.9 Å²	53.9	30%	0.299	30%	0.295	S	S	.	.	S	Bend	trans	85.8	13.5	175.1	0	0	0	0	0	114.4	E232 D257	E232-G262 PolarHBondContact N-O 3.2Å; E232-G262 VanDerWaalsContact N-O 3.15Å; D257-G262 VanDerWaalsContact OD2-CA 3.31Å; D257-G262 WeakPolarHBondContact OD2-CA 3.22Å; D257-G262 PolarHBondContact OD2-N 3.12Å
263	K	96	Very high	91.8	Very high	61 Å²	61	52.2 Å²	52.2	27%	0.265	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	151.5	176.1	57.2	177	-176	164.8	0	110.4	F229 I230 D261	F229-K263 HydrophobicContact CB-CB 4.38Å; F229-K263 HydrophobicContact CB-CD 4Å; F229-K263 HydrophobicContact CD1-CD 3.92Å; F229-K263 HydrophobicContact CD1-CG 4.38Å; F229-K263 HydrophobicContact CG-CD 3.98Å; I230-K263 CarbonylContact O-C 3.57Å; I230-K263 VanDerWaalsContact O-CA 3.28Å; I230-K263 WeakPolarHBondContact O-CA 3.29Å; D261-K263 WeakPolarHBondContact OD1-CG 3.38Å; D261-K263 PolarHBondContact OD1-N 2.76Å; D261-K263 WeakPolarHBondContact OD2-CE 3.43Å
264	L	94.1	Very high	91.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121	177.5	-54.2	-179.2	0	0	0	109.9	F229 I230 F253 D257 E268 M269 W272	F229-L264 WeakPolarHBondContact CA-O 3.41Å; I230-L264 HydrophobicContact CB-CB 4.48Å; I230-L264 PolarHBondContact N-O 3.25Å; I230-L264 PolarHBondContact O-N 2.72Å; F253-L264 HydrophobicContact CD2-CD1 4.24Å; F253-L264 HydrophobicContact CD2-CD2 4.38Å; F253-L264 HydrophobicContact CD2-CG 4.23Å; F253-L264 HydrophobicContact CE2-CD1 4.06Å; F253-L264 HydrophobicContact CE2-CD2 3.99Å; F253-L264 HydrophobicContact CE2-CG 3.64Å; F253-L264 HydrophobicContact CZ-CD2 4.14Å; F253-L264 HydrophobicContact CZ-CG 4.1Å; D257-L264 HydrophobicContact CB-CD2 3.94Å; L264-E268 HydrophobicContact CB-CB 4.35Å; L264-E268 HydrophobicContact CD2-CB 4.32Å; L264-M269 HydrophobicContact CB-CG 3.44Å; L264-M269 VanDerWaalsContact CB-CG 3.44Å; L264-M269 HydrophobicContact CD1-CG 4.33Å; L264-W272 HydrophobicContact CD1-CE3 3.84Å; L264-W272 HydrophobicContact CD1-CZ3 4.28Å
265	D	94.8	Very high	91.3	Very high	38 Å²	38	50.4 Å²	50.4	20%	0.203	29%	0.287	C	S	.	.			trans	-79.2	168.8	169.1	83.6	29.8	0	0	0	112.1	F229 N267 E268 M269	F229-D265 HydrophobicContact CD1-CB 3.93Å; F229-D265 HydrophobicContact CE1-CB 3.69Å; D265-N267 PolarHBondContact O-N 3.44Å; D265-N267 VanDerWaalsContact O-N 3.15Å; D265-N267 WeakPolarHBondContact OD1-CA 3.35Å; D265-N267 VanDerWaalsContact OD1-CB 3.3Å; D265-N267 WeakPolarHBondContact OD1-CB 3.44Å; D265-N267 PolarHBondContact OD1-N 3.05Å; D265-E268 PolarHBondContact N-OE2 2.87Å; D265-E268 PolarHBondContact O-N 2.83Å; D265-E268 VanDerWaalsContact O-N 3.11Å; D265-E268 PolarHBondContact OD1-N 3.37Å; D265-M269 WeakPolarHBondContact O-CB 3.39Å; D265-M269 WeakPolarHBondContact O-CG 3.26Å; D265-M269 PolarHBondContact O-N 3.35Å
266	P	92.1	Very high	91.1	Very high	62 Å²	62	45.8 Å²	45.8	40%	0.403	27%	0.266	S	S	.	.	H	α-helix	trans	-56.3	-29.3	-179.3	-29.5	37.1	0	0	0	115.9	L215 M269 A270	L215-P266 HydrophobicContact CD1-CB 4.5Å; P266-M269 HydrophobicContact CB-CE 4.42Å; P266-M269 HydrophobicContact CG-CE 4.19Å; P266-A270 WeakPolarHBondContact O-CB 3.41Å; P266-A270 PolarHBondContact O-N 3.06Å
267	N	92.9	Very high	91	Very high	114 Å²	114	43.5 Å²	43.5	61%	0.61	26%	0.258	S	S	*	.	H	α-helix	trans	-78.6	-35.6	177.4	-56.7	-59	0	0	0	111.8	D265 A270 L271	D265-N267 PolarHBondContact O-N 3.44Å; D265-N267 VanDerWaalsContact O-N 3.15Å; D265-N267 WeakPolarHBondContact OD1-CA 3.35Å; D265-N267 VanDerWaalsContact OD1-CB 3.3Å; D265-N267 WeakPolarHBondContact OD1-CB 3.44Å; D265-N267 PolarHBondContact OD1-N 3.05Å; N267-A270 WeakPolarHBondContact O-CB 3.45Å; N267-A270 PolarHBondContact O-N 3.27Å; N267-L271 PolarHBondContact O-N 3.28Å
268	E	94	Very high	90.6	Very high	9 Å²	9	46.6 Å²	46.6	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-71.1	-45.5	175.1	-70	169.7	154.7	0	0	110.8	Y256 I258 N259 L264 D265 A270 L271 W272	Y256-E268 WeakPolarHBondContact O-CB 3.49Å; Y256-E268 VanDerWaalsContact O-CG 3.3Å; Y256-E268 WeakPolarHBondContact O-CG 3.26Å; I258-E268 PolarHBondContact N-OE1 3.46Å; I258-E268 VanDerWaalsContact N-OE1 3.07Å; N259-E268 PolarHBondContact N-OE1 3.36Å; N259-E268 VanDerWaalsContact N-OE1 3.07Å; N259-E268 PolarHBondContact ND2-OE1 3.3Å; N259-E268 PolarHBondContact ND2-OE2 3.15Å; L264-E268 HydrophobicContact CB-CB 4.35Å; L264-E268 HydrophobicContact CD2-CB 4.32Å; D265-E268 PolarHBondContact N-OE2 2.87Å; D265-E268 PolarHBondContact O-N 2.83Å; D265-E268 VanDerWaalsContact O-N 3.11Å; D265-E268 PolarHBondContact OD1-N 3.37Å; E268-A270 PolarHBondContact O-N 3.28Å; E268-L271 WeakPolarHBondContact O-CB 3.44Å; E268-L271 PolarHBondContact O-N 3.23Å; E268-W272 PolarHBondContact O-N 3.45Å
269	M	91.1	Very high	90	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.7	-34.2	172.2	-66.9	-174.3	-76.2	0	0	111.5	L215 L219 G228 I230 L264 D265 P266 L271 W272 V273	L215-M269 HydrophobicContact CD2-CB 3.21Å; L215-M269 HydrophobicContact CD2-CE 4.43Å; L215-M269 HydrophobicContact CD2-CG 4.3Å; L215-M269 HydrophobicContact CD2-SD 4.27Å; L219-M269 HydrophobicContact CD2-CE 3.91Å; L219-M269 HydrophobicContact CD2-SD 3.91Å; L219-M269 HydrophobicContact CG-CE 4.47Å; L219-M269 HydrophobicContact CG-SD 4.45Å; G228-M269 WeakPolarHBondContact O-CE 3.47Å; I230-M269 HydrophobicContact CB-SD 4.21Å; I230-M269 HydrophobicContact CD1-CG 4.35Å; I230-M269 HydrophobicContact CD1-SD 3.4Å; I230-M269 WeakPolarHBondContact CD1-SD 3.49Å; I230-M269 HydrophobicContact CG1-SD 3.64Å; L264-M269 HydrophobicContact CB-CG 3.44Å; L264-M269 VanDerWaalsContact CB-CG 3.44Å; L264-M269 HydrophobicContact CD1-CG 4.33Å; D265-M269 WeakPolarHBondContact O-CB 3.39Å; D265-M269 WeakPolarHBondContact O-CG 3.26Å; D265-M269 PolarHBondContact O-N 3.35Å; P266-M269 HydrophobicContact CB-CE 4.42Å; P266-M269 HydrophobicContact CG-CE 4.19Å; M269-L271 VanDerWaalsContact C-N 3.28Å; M269-L271 PolarHBondContact O-N 2.97Å; M269-W272 WeakPolarHBondContact O-CB 3.31Å; M269-W272 PolarHBondContact O-N 2.91Å; M269-V273 WeakPolarHBondContact O-CG1 3.35Å; M269-V273 WeakPolarHBondContact O-CG2 3.21Å; M269-V273 PolarHBondContact O-N 2.98Å
270	A	90.8	Very high	89.3	Confident	10 Å²	10	46.1 Å²	46.1	8%	0.083	27%	0.267	C	S	.	.	H	α-helix	trans	-58.7	-39.3	174.1	0	0	0	0	0	112.1	A211 P266 N267 E268 W272 T274	A211-A270 HydrophobicContact CB-CB 3.55Å; P266-A270 WeakPolarHBondContact O-CB 3.41Å; P266-A270 PolarHBondContact O-N 3.06Å; N267-A270 WeakPolarHBondContact O-CB 3.45Å; N267-A270 PolarHBondContact O-N 3.27Å; E268-A270 PolarHBondContact O-N 3.28Å; A270-W272 VanDerWaalsContact C-N 3.28Å; A270-W272 PolarHBondContact O-N 2.78Å; A270-T274 WeakPolarHBondContact O-CA 3.2Å; A270-T274 PolarHBondContact O-N 3.45Å; A270-T274 PolarHBondContact O-OG1 3.16Å
271	L	88.3	Confident	88.9	Confident	52 Å²	52	43.4 Å²	43.4	27%	0.272	24%	0.239	S	C	.	.	H	α-helix	trans	-66.9	-31.9	175	-66.4	171.8	0	0	0	112.6	Y256 I258 N267 E268 M269 P275	Y256-L271 HydrophobicContact CD1-CB 4.47Å; I258-L271 HydrophobicContact CD1-CD1 3.42Å; I258-L271 VanDerWaalsContact CD1-CD1 3.42Å; N267-L271 PolarHBondContact O-N 3.28Å; E268-L271 WeakPolarHBondContact O-CB 3.44Å; E268-L271 PolarHBondContact O-N 3.23Å; M269-L271 VanDerWaalsContact C-N 3.28Å; M269-L271 PolarHBondContact O-N 2.97Å; L271-P275 WeakPolarHBondContact O-CA 3.37Å
272	W	86.2	Confident	88.5	Confident	50 Å²	50	41.6 Å²	41.6	19%	0.189	23%	0.232	C	C	.	.	H	α-helix	trans	-72.6	-48.8	177.3	172.6	30.4	0	0	0	112.1	T218 F222 I230 Y235 Y256 L264 E268 M269 A270	T218-W272 HydrophobicContact CG2-CE3 3.99Å; T218-W272 HydrophobicContact CG2-CH2 3.71Å; T218-W272 HydrophobicContact CG2-CZ3 3.4Å; F222-W272 HydrophobicContact CD1-CH2 4.34Å; F222-W272 AromaticContact CD2-CH2 3.89Å; F222-W272 HydrophobicContact CD2-CH2 3.89Å; F222-W272 HydrophobicContact CE1-CH2 4.15Å; F222-W272 AromaticContact CE2-CH2 3.7Å; F222-W272 HydrophobicContact CE2-CH2 3.7Å; F222-W272 HydrophobicContact CE2-CZ2 4.19Å; F222-W272 HydrophobicContact CG-CH2 4.21Å; F222-W272 AromaticContact CZ-CH2 3.83Å; F222-W272 HydrophobicContact CZ-CH2 3.83Å; F222-W272 HydrophobicContact CZ-CZ2 4.14Å; I230-W272 HydrophobicContact CD1-CH2 4.5Å; I230-W272 HydrophobicContact CD1-CZ3 3.71Å; Y235-W272 AromaticContact CD2-CH2 3.78Å; Y235-W272 HydrophobicContact CD2-CH2 3.78Å; Y235-W272 HydrophobicContact CD2-CZ2 4.14Å; Y235-W272 HydrophobicContact CD2-CZ3 4.08Å; Y235-W272 HydrophobicContact CE2-CD2 4.32Å; Y235-W272 AromaticContact CE2-CE2 3.87Å; Y235-W272 HydrophobicContact CE2-CE3 4.43Å; Y235-W272 AromaticContact CE2-CH2 3.7Å; Y235-W272 HydrophobicContact CE2-CH2 3.7Å; Y235-W272 AromaticContact CE2-CZ2 3.57Å; Y235-W272 HydrophobicContact CE2-CZ2 3.57Å; Y235-W272 HydrophobicContact CE2-CZ3 4.12Å; Y256-W272 HydrophobicContact CD1-CB 3.89Å; Y256-W272 HydrophobicContact CD2-CB 4.21Å; Y256-W272 HydrophobicContact CD2-CG 4.27Å; Y256-W272 HydrophobicContact CE1-CB 3.89Å; Y256-W272 HydrophobicContact CE1-CG 4.49Å; Y256-W272 HydrophobicContact CE2-CB 4.21Å; Y256-W272 AromaticContact CE2-CD1 3.73Å; Y256-W272 HydrophobicContact CE2-CG 4.05Å; Y256-W272 HydrophobicContact CG-CB 4.05Å; Y256-W272 AromaticContact CZ-CD1 3.76Å; L264-W272 HydrophobicContact CD1-CE3 3.84Å; L264-W272 HydrophobicContact CD1-CZ3 4.28Å; E268-W272 PolarHBondContact O-N 3.45Å; M269-W272 WeakPolarHBondContact O-CB 3.31Å; M269-W272 PolarHBondContact O-N 2.91Å; A270-W272 VanDerWaalsContact C-N 3.28Å; A270-W272 PolarHBondContact O-N 2.78Å
273	V	86.7	Confident	87.9	Confident	15 Å²	15	43.8 Å²	43.8	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-84.6	-19.6	-174.4	-51.4	0	0	0	0	113.2	A211 E214 L215 T218 M269 P275	A211-V273 HydrophobicContact CB-CG2 4.4Å; E214-V273 HydrophobicContact CB-CB 3.82Å; E214-V273 HydrophobicContact CB-CG2 3.53Å; E214-V273 HydrophobicContact CG-CG2 4.49Å; L215-V273 HydrophobicContact CD2-CG1 4.23Å; L215-V273 HydrophobicContact CD2-CG2 3.94Å; L215-V273 HydrophobicContact CG-CG2 4.1Å; T218-V273 HydrophobicContact CG2-CG1 3.88Å; T218-V273 WeakPolarHBondContact OG1-CG1 3.35Å; M269-V273 WeakPolarHBondContact O-CG1 3.35Å; M269-V273 WeakPolarHBondContact O-CG2 3.21Å; M269-V273 PolarHBondContact O-N 2.98Å; V273-P275 VanDerWaalsContact C-CD 3.48Å
274	T	86.2	Confident	87.3	Confident	6 Å²	6	41.2 Å²	41.2	4%	0.037	23%	0.225	C	C	.	.			trans	-125.5	69.2	172.1	57.3	0	0	0	0	110.8	P204 H205 R208 A211 E214 A270 G276	P204-T274 WeakPolarHBondContact O-CG2 3.38Å; H205-T274 CarbonylContact O-C 3.49Å; H205-T274 WeakPolarHBondContact O-CA 3.07Å; R208-T274 WeakPolarHBondContact CA-OG1 3.47Å; A211-T274 HydrophobicContact CB-CG2 4.13Å; E214-T274 HydrophobicContact CG-CG2 4.23Å; A270-T274 WeakPolarHBondContact O-CA 3.2Å; A270-T274 PolarHBondContact O-N 3.45Å; A270-T274 PolarHBondContact O-OG1 3.16Å; T274-G276 PolarHBondContact O-N 3.39Å
275	P	82	Confident	87.1	Confident	70 Å²	70	41.4 Å²	41.4	46%	0.455	23%	0.226	S	C	.	.			trans	-63.1	-24.7	-178.6	27.3	-35.3	0	0	0	112.3	H205 L271 V273	H205-P275 WeakPolarHBondContact O-CD 3.49Å; L271-P275 WeakPolarHBondContact O-CA 3.37Å; V273-P275 VanDerWaalsContact C-CD 3.48Å
276	G	84.4	Confident	86.8	Confident	19 Å²	19	42.8 Å²	42.8	20%	0.196	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	-150.4	-172.3	0	0	0	0	0	111.7	H205 N206 T274	H205-G276 PolarHBondContact O-N 2.75Å; N206-G276 VanDerWaalsContact O-CA 3.32Å; N206-G276 WeakPolarHBondContact O-CA 3.3Å; T274-G276 PolarHBondContact O-N 3.39Å
277	F	85.6	Confident	86.5	Confident	13 Å²	13	42.1 Å²	42.1	6%	0.057	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-1.1	-173.5	-53	-66.6	0	0	0	114.2	I114 F117 I118 D121 N206 K279 T280 A281	I114-F277 HydrophobicContact CG1-CB 4.15Å; I114-F277 HydrophobicContact CG2-CB 4.49Å; I114-F277 HydrophobicContact CG2-CD2 4.42Å; F117-F277 HydrophobicContact CB-CB 4.48Å; F117-F277 HydrophobicContact CB-CD1 3.56Å; F117-F277 HydrophobicContact CB-CD2 3.9Å; F117-F277 HydrophobicContact CB-CE1 3.6Å; F117-F277 HydrophobicContact CB-CE2 3.93Å; F117-F277 HydrophobicContact CB-CG 3.71Å; F117-F277 HydrophobicContact CB-CZ 3.77Å; F117-F277 AromaticContact CD1-CD1 3.97Å; F117-F277 HydrophobicContact CD1-CD1 3.97Å; F117-F277 HydrophobicContact CD1-CE1 4.12Å; F117-F277 HydrophobicContact CD2-CB 3.76Å; F117-F277 AromaticContact CD2-CD1 3.78Å; F117-F277 HydrophobicContact CD2-CD1 3.78Å; F117-F277 AromaticContact CD2-CG 3.84Å; F117-F277 HydrophobicContact CD2-CG 3.84Å; F117-F277 HydrophobicContact CE2-CB 4.32Å; F117-F277 HydrophobicContact CE2-CD1 4.45Å; F117-F277 HydrophobicContact CG-CB 4.33Å; F117-F277 AromaticContact CG-CD1 3.52Å; F117-F277 HydrophobicContact CG-CD1 3.52Å; F117-F277 AromaticContact CG-CE1 3.89Å; F117-F277 HydrophobicContact CG-CE1 3.89Å; F117-F277 AromaticContact CG-CG 3.89Å; F117-F277 HydrophobicContact CG-CG 3.89Å; I118-F277 HydrophobicContact CG1-CD2 4.21Å; I118-F277 HydrophobicContact CG1-CE2 3.78Å; D121-F277 WeakPolarHBondContact OD2-CZ 3.06Å; N206-F277 HydrophobicContact CB-CE1 4.06Å; N206-F277 HydrophobicContact CB-CE2 4.08Å; N206-F277 HydrophobicContact CB-CZ 3.54Å; N206-F277 WeakPolarHBondContact ND2-CE1 3.18Å; N206-F277 VanDerWaalsContact ND2-CZ 3.34Å; N206-F277 WeakPolarHBondContact ND2-CZ 3.29Å; N206-F277 WeakPolarHBondContact OD1-CE1 3.49Å; F277-K279 PolarHBondContact O-N 2.88Å; F277-T280 PolarHBondContact O-N 3.07Å; F277-A281 WeakPolarHBondContact O-CB 3.42Å; F277-A281 PolarHBondContact O-N 2.96Å
278	D	84.7	Confident	86.4	Confident	83 Å²	83	36.7 Å²	36.7	44%	0.444	19%	0.194	S	C	.	.	H	α-helix	trans	-62.6	-46.5	-166.2	-176	69.9	0	0	0	113.1	K110 T282	K110-D278 IonicContact NZ-OD1 3.77Å; K110-D278 PolarHBondContact NZ-OD1 3.06Å; D278-T282 VanDerWaalsContact O-CB 3.32Å; D278-T282 WeakPolarHBondContact O-CB 3.21Å; D278-T282 PolarHBondContact O-N 3.4Å; D278-T282 PolarHBondContact O-OG1 2.65Å
279	K	81.2	Confident	86.3	Confident	153 Å²	153	36.5 Å²	36.5	67%	0.665	19%	0.193	S	C	*	.	H	α-helix	trans	-64.9	-52.1	178.7	-176.9	-177.8	175.6	-170.9	0	110.9	F277 A281 T282 D283	F277-K279 PolarHBondContact O-N 2.88Å; K279-A281 VanDerWaalsContact C-N 3.32Å; K279-A281 PolarHBondContact O-N 3.4Å; K279-T282 WeakPolarHBondContact O-CA 3.4Å; K279-T282 WeakPolarHBondContact O-CB 3.44Å; K279-T282 PolarHBondContact O-N 2.86Å; K279-D283 PolarHBondContact O-N 3.44Å
280	T	79.5	Confident	86.2	Confident	44 Å²	44	42.1 Å²	42.1	27%	0.27	22%	0.223	S	C	.	.	H	α-helix	trans	-58.9	-44	180	-50.9	0	0	0	0	111.9	H51 F117 F277 T282 D283 E284	H51-T280 WeakPolarHBondContact CD2-CG2 3.39Å; H51-T280 WeakPolarHBondContact NE2-CG2 3.5Å; F117-T280 HydrophobicContact CE2-CG2 4.29Å; F117-T280 HydrophobicContact CZ-CG2 3.81Å; F277-T280 PolarHBondContact O-N 3.07Å; T280-T282 VanDerWaalsContact C-N 3.32Å; T280-T282 PolarHBondContact O-N 3.3Å; T280-D283 PolarHBondContact O-N 2.84Å; T280-E284 WeakPolarHBondContact O-CB 3.31Å; T280-E284 PolarHBondContact O-N 3.07Å
281	A	85.4	Confident	86.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.8	-35.2	175.6	0	0	0	0	0	112.3	K110 I113 I114 F277 K279 T285	K110-A281 HydrophobicContact CG-CB 3.82Å; I113-A281 HydrophobicContact CB-CB 4.18Å; I113-A281 HydrophobicContact CG2-CB 3.61Å; I114-A281 HydrophobicContact CD1-CB 4.2Å; I114-A281 HydrophobicContact CG1-CB 3.54Å; F277-A281 WeakPolarHBondContact O-CB 3.42Å; F277-A281 PolarHBondContact O-N 2.96Å; K279-A281 VanDerWaalsContact C-N 3.32Å; K279-A281 PolarHBondContact O-N 3.4Å; A281-T285 WeakPolarHBondContact O-CB 3.32Å; A281-T285 PolarHBondContact O-N 2.7Å; A281-T285 PolarHBondContact O-OG1 3.43Å
282	T	86.9	Confident	86.3	Confident	46 Å²	46	43.4 Å²	43.4	28%	0.282	23%	0.226	S	C	.	.	H	α-helix	trans	-65.8	-47.6	174.7	-60.5	0	0	0	0	110.9	K110 D278 K279 T280 E284 T285 E286	K110-T282 WeakPolarHBondContact CD-OG1 3.41Å; D278-T282 VanDerWaalsContact O-CB 3.32Å; D278-T282 WeakPolarHBondContact O-CB 3.21Å; D278-T282 PolarHBondContact O-N 3.4Å; D278-T282 PolarHBondContact O-OG1 2.65Å; K279-T282 WeakPolarHBondContact O-CA 3.4Å; K279-T282 WeakPolarHBondContact O-CB 3.44Å; K279-T282 PolarHBondContact O-N 2.86Å; T280-T282 VanDerWaalsContact C-N 3.32Å; T280-T282 PolarHBondContact O-N 3.3Å; T282-E284 VanDerWaalsContact C-N 3.33Å; T282-E284 PolarHBondContact O-N 2.89Å; T282-T285 PolarHBondContact O-N 2.92Å; T282-E286 WeakPolarHBondContact O-CG 3.37Å; T282-E286 PolarHBondContact O-N 3.44Å
283	D	83.8	Confident	86.6	Confident	75 Å²	75	41.9 Å²	41.9	40%	0.401	22%	0.221	S	C	.	.	H	α-helix	trans	-61	-43.7	179.4	-68.8	-21.8	0	0	0	110.9	K279 T280 E286 H287	K279-D283 PolarHBondContact O-N 3.44Å; T280-D283 PolarHBondContact O-N 2.84Å; D283-E286 PolarHBondContact O-N 3.29Å; D283-H287 PolarHBondContact O-N 3.28Å
284	E	82.3	Confident	86.8	Confident	7 Å²	7	46.9 Å²	46.9	3%	0.033	24%	0.242	C	C	.	.	H	α-helix	trans	-67.5	-40.8	176.7	-176.1	57.5	-156.9	0	0	112.6	H58 L66 I113 T280 T282 E286 H287 L288	H58-E284 IonicContact CE1-OE2 3.52Å; L66-E284 HydrophobicContact CD2-CG 3.96Å; I113-E284 HydrophobicContact CD1-CB 4.16Å; I113-E284 HydrophobicContact CD1-CG 3.84Å; T280-E284 WeakPolarHBondContact O-CB 3.31Å; T280-E284 PolarHBondContact O-N 3.07Å; T282-E284 VanDerWaalsContact C-N 3.33Å; T282-E284 PolarHBondContact O-N 2.89Å; E284-E286 VanDerWaalsContact C-N 3.33Å; E284-E286 PolarHBondContact O-N 2.92Å; E284-H287 WeakPolarHBondContact O-CB 3.35Å; E284-H287 PolarHBondContact O-N 2.92Å; E284-L288 HydrophobicContact CG-CD1 4.13Å; E284-L288 WeakPolarHBondContact O-CG 3.38Å; E284-L288 PolarHBondContact O-N 2.88Å
285	T	89.8	Confident	87.1	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-58.3	-47.7	174	-64.1	0	0	0	0	110.6	K106 L109 K110 A281 T282 H287 L288 F289	K106-T285 HydrophobicContact CB-CG2 4.13Å; K106-T285 HydrophobicContact CG-CG2 4.36Å; K106-T285 WeakPolarHBondContact O-CG2 3.3Å; L109-T285 HydrophobicContact CB-CG2 4.24Å; L109-T285 HydrophobicContact CD2-CG2 4.21Å; L109-T285 HydrophobicContact CG-CG2 4.35Å; K110-T285 VanDerWaalsContact CA-OG1 3.31Å; K110-T285 WeakPolarHBondContact CA-OG1 3.16Å; K110-T285 PolarHBondContact N-OG1 2.72Å; A281-T285 WeakPolarHBondContact O-CB 3.32Å; A281-T285 PolarHBondContact O-N 2.7Å; A281-T285 PolarHBondContact O-OG1 3.43Å; T282-T285 PolarHBondContact O-N 2.92Å; T285-H287 VanDerWaalsContact C-N 3.32Å; T285-H287 PolarHBondContact O-N 3.01Å; T285-L288 PolarHBondContact O-N 3.48Å; T285-F289 HydrophobicContact CG2-CD2 3.87Å; T285-F289 HydrophobicContact CG2-CE2 4.06Å; T285-F289 WeakPolarHBondContact O-CB 3.46Å; T285-F289 VanDerWaalsContact O-CD2 3.32Å; T285-F289 WeakPolarHBondContact O-CD2 3.47Å; T285-F289 PolarHBondContact O-N 3.4Å
286	E	89.5	Confident	87.6	Confident	67 Å²	67	56.7 Å²	56.7	31%	0.313	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-38.8	178.5	-69.3	-62.7	152.4	0	0	111.6	K106 T282 D283 E284 N290	K106-E286 IonicContact NZ-OE1 2.69Å; K106-E286 PolarHBondContact NZ-OE1 3.46Å; K106-E286 IonicContact NZ-OE2 2.7Å; K106-E286 PolarHBondContact NZ-OE2 3.14Å; T282-E286 WeakPolarHBondContact O-CG 3.37Å; T282-E286 PolarHBondContact O-N 3.44Å; D283-E286 PolarHBondContact O-N 3.29Å; E284-E286 VanDerWaalsContact C-N 3.33Å; E284-E286 PolarHBondContact O-N 2.92Å; E286-N290 VanDerWaalsContact O-CB 3.3Å; E286-N290 WeakPolarHBondContact O-CB 3.07Å; E286-N290 PolarHBondContact O-N 3.33Å; E286-N290 PolarHBondContact O-ND2 3.07Å
287	H	85.5	Confident	88.1	Confident	47 Å²	47	59.2 Å²	59.2	22%	0.218	29%	0.291	C	S	.	.	H	α-helix	trans	-58.5	-53.9	174.3	-179.2	67.8	0	0	0	111.7	H58 D283 E284 T285 F289 N290 E291	H58-H287 AromaticContact CE1-CD2 3.69Å; H58-H287 AromaticContact CE1-CG 3.92Å; H58-H287 AromaticContact CE1-NE2 3.98Å; H58-H287 AromaticContact NE2-CD2 3.84Å; H58-H287 AromaticContact NE2-CE1 3.7Å; H58-H287 AromaticContact NE2-CG 3.81Å; H58-H287 AromaticContact NE2-ND1 3.71Å; H58-H287 AromaticContact NE2-NE2 3.81Å; D283-H287 PolarHBondContact O-N 3.28Å; E284-H287 WeakPolarHBondContact O-CB 3.35Å; E284-H287 PolarHBondContact O-N 2.92Å; T285-H287 VanDerWaalsContact C-N 3.32Å; T285-H287 PolarHBondContact O-N 3.01Å; H287-F289 VanDerWaalsContact C-N 3.34Å; H287-F289 PolarHBondContact O-N 3.34Å; H287-N290 PolarHBondContact O-N 3.27Å; H287-E291 PolarHBondContact O-N 3.46Å; H287-E291 VanDerWaalsContact O-N 3.1Å
288	L	89.9	Confident	88.5	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-61.7	-40.4	-179.3	-70.7	166.5	0	0	0	112.5	I67 L109 I113 E284 T285 T292 L311 W312	I67-L288 HydrophobicContact CD1-CD1 3.41Å; I67-L288 VanDerWaalsContact CD1-CD1 3.41Å; I67-L288 HydrophobicContact CG1-CD1 4.44Å; L109-L288 HydrophobicContact CD1-CD1 4.4Å; L109-L288 HydrophobicContact CD2-CB 3.94Å; L109-L288 HydrophobicContact CD2-CD1 3.94Å; L109-L288 HydrophobicContact CG-CD1 4.48Å; I113-L288 HydrophobicContact CD1-CD1 4.09Å; E284-L288 HydrophobicContact CG-CD1 4.13Å; E284-L288 WeakPolarHBondContact O-CG 3.38Å; E284-L288 PolarHBondContact O-N 2.88Å; T285-L288 PolarHBondContact O-N 3.48Å; L288-T292 WeakPolarHBondContact O-CB 3.3Å; L288-T292 PolarHBondContact O-N 3.49Å; L288-T292 PolarHBondContact O-OG1 3.4Å; L288-L311 HydrophobicContact CD2-CD2 4.1Å; L288-L311 HydrophobicContact CD2-CG 4.11Å; L288-W312 HydrophobicContact CB-CZ2 4.42Å
289	F	92.6	Very high	89	Confident	5 Å²	5	57.5 Å²	57.5	2%	0.022	29%	0.292	C	S	.	.	H	α-helix	trans	-64.6	-45.3	174.6	-93.7	-96.9	0	0	0	111.7	I104 D105 K106 L109 T285 H287 E291 T292 D293 L300	I104-F289 WeakPolarHBondContact O-CZ 3.38Å; D105-F289 VanDerWaalsContact C-CZ 3.46Å; K106-F289 HydrophobicContact CB-CE2 4.26Å; K106-F289 HydrophobicContact CB-CZ 4.31Å; K106-F289 HydrophobicContact CG-CD1 3.99Å; K106-F289 HydrophobicContact CG-CD2 3.93Å; K106-F289 HydrophobicContact CG-CE1 3.79Å; K106-F289 HydrophobicContact CG-CE2 3.74Å; K106-F289 HydrophobicContact CG-CG 4.05Å; K106-F289 HydrophobicContact CG-CZ 3.67Å; L109-F289 HydrophobicContact CB-CE2 4.04Å; L109-F289 HydrophobicContact CD2-CD2 3.76Å; L109-F289 HydrophobicContact CD2-CE2 3.59Å; L109-F289 HydrophobicContact CG-CE2 4.47Å; T285-F289 HydrophobicContact CG2-CD2 3.87Å; T285-F289 HydrophobicContact CG2-CE2 4.06Å; T285-F289 WeakPolarHBondContact O-CB 3.46Å; T285-F289 VanDerWaalsContact O-CD2 3.32Å; T285-F289 WeakPolarHBondContact O-CD2 3.47Å; T285-F289 PolarHBondContact O-N 3.4Å; H287-F289 VanDerWaalsContact C-N 3.34Å; H287-F289 PolarHBondContact O-N 3.34Å; F289-E291 PolarHBondContact O-N 3.05Å; F289-T292 PolarHBondContact O-N 2.85Å; F289-D293 HydrophobicContact CD1-CB 4.27Å; F289-D293 WeakPolarHBondContact O-CB 3.5Å; F289-D293 PolarHBondContact O-N 2.84Å; F289-L300 HydrophobicContact CD1-CD2 4.1Å; F289-L300 HydrophobicContact CD1-CG 4.09Å; F289-L300 HydrophobicContact CD2-CD1 4.21Å; F289-L300 HydrophobicContact CE1-CD1 4.42Å; F289-L300 HydrophobicContact CE1-CD2 4.18Å; F289-L300 HydrophobicContact CE1-CG 3.76Å; F289-L300 HydrophobicContact CE2-CD1 4.06Å; F289-L300 HydrophobicContact CE2-CG 4.23Å; F289-L300 HydrophobicContact CG-CD1 4.46Å; F289-L300 HydrophobicContact CG-CG 4.47Å; F289-L300 HydrophobicContact CZ-CD1 4.16Å; F289-L300 HydrophobicContact CZ-CG 3.83Å
290	N	90.1	Very high	89.6	Confident	117 Å²	117	50.2 Å²	50.2	63%	0.626	26%	0.26	S	S	*	.	H	α-helix	trans	-61	-35.4	-179.2	-76.2	-38.9	0	0	0	112.7	E286 H287	E286-N290 VanDerWaalsContact O-CB 3.3Å; E286-N290 WeakPolarHBondContact O-CB 3.07Å; E286-N290 PolarHBondContact O-N 3.33Å; E286-N290 PolarHBondContact O-ND2 3.07Å; H287-N290 PolarHBondContact O-N 3.27Å
291	E	88.1	Confident	90.4	Very high	90 Å²	90	49.9 Å²	49.9	42%	0.421	26%	0.259	S	S	.	.	H	α-helix	trans	-86.7	-29.1	179.4	-65.5	-57.9	147.3	0	0	113.2	H287 F289 K294 L311	H287-E291 PolarHBondContact O-N 3.46Å; H287-E291 VanDerWaalsContact O-N 3.1Å; F289-E291 PolarHBondContact O-N 3.05Å; E291-K294 WeakPolarHBondContact O-CE 3.4Å; E291-K294 PolarHBondContact O-NZ 3Å; E291-L311 HydrophobicContact CB-CD2 3.45Å; E291-L311 VanDerWaalsContact CB-CD2 3.45Å; E291-L311 HydrophobicContact CG-CD2 4.27Å
292	T	91.2	Very high	90.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-99.1	-38.2	-173.6	-47.3	0	0	0	0	113.9	L288 F289 K294 L300 E304 V305 Q308 W312	L288-T292 WeakPolarHBondContact O-CB 3.3Å; L288-T292 PolarHBondContact O-N 3.49Å; L288-T292 PolarHBondContact O-OG1 3.4Å; F289-T292 PolarHBondContact O-N 2.85Å; T292-K294 PolarHBondContact O-N 2.95Å; T292-L300 HydrophobicContact CG2-CD1 4.14Å; T292-L300 HydrophobicContact CG2-CD2 3.89Å; T292-E304 HydrophobicContact CG2-CB 4.02Å; T292-V305 HydrophobicContact CG2-CG2 4.26Å; T292-Q308 HydrophobicContact CG2-CB 4.43Å; T292-Q308 HydrophobicContact CG2-CG 4.45Å; T292-W312 HydrophobicContact CG2-CZ2 4.34Å; T292-W312 PolarHBondContact OG1-NE1 2.91Å
293	D	92.5	Very high	91.1	Very high	17 Å²	17	59 Å²	59	9%	0.091	30%	0.297	C	S	.	.			trans	-74.8	86.3	-177.8	-175.3	-2.7	0	0	0	110.5	F289 K296 D297 G298 L300	F289-D293 HydrophobicContact CD1-CB 4.27Å; F289-D293 WeakPolarHBondContact O-CB 3.5Å; F289-D293 PolarHBondContact O-N 2.84Å; D293-K296 VanDerWaalsContact CG-CA 3.49Å; D293-K296 WeakPolarHBondContact OD1-CA 3.15Å; D293-K296 PolarHBondContact OD1-N 2.91Å; D293-K296 WeakPolarHBondContact OD2-CA 3.46Å; D293-D297 PolarHBondContact OD1-N 2.98Å; D293-D297 PolarHBondContact OD2-N 3.2Å; D293-G298 WeakPolarHBondContact OD2-CA 3.5Å; D293-G298 PolarHBondContact OD2-N 3.17Å; D293-L300 HydrophobicContact CB-CD2 3.59Å
294	K	91.3	Very high	91.5	Very high	120 Å²	120	56.7 Å²	56.7	52%	0.522	28%	0.284	S	S	.	.	S	Bend	trans	-76	-33.4	-173.4	-63.7	-51.5	-172.8	-164.9	0	112.1	E291 T292 E304	E291-K294 WeakPolarHBondContact O-CE 3.4Å; E291-K294 PolarHBondContact O-NZ 3Å; T292-K294 PolarHBondContact O-N 2.95Å; K294-E304 PolarHBondContact N-OE1 2.9Å
295	D	93.3	Very high	92	Very high	104 Å²	104	56.4 Å²	56.4	56%	0.556	28%	0.282	S	S	*	.	S	Bend	trans	-89	-10.4	-179.7	78.3	2.8	0	0	0	113.6	D297	D295-D297 VanDerWaalsContact C-N 3.31Å; D295-D297 VanDerWaalsContact OD1-CB 3.31Å; D295-D297 WeakPolarHBondContact OD1-CB 3.11Å; D295-D297 PolarHBondContact OD1-N 3.43Å
296	K	92.3	Very high	92	Very high	178 Å²	178	58.2 Å²	58.2	77%	0.774	29%	0.291	S	S	*	.			trans	63.4	34.4	177.5	-55.3	-170.3	175.6	-162.7	0	112.7	D293	D293-K296 VanDerWaalsContact CG-CA 3.49Å; D293-K296 WeakPolarHBondContact OD1-CA 3.15Å; D293-K296 PolarHBondContact OD1-N 2.91Å; D293-K296 WeakPolarHBondContact OD2-CA 3.46Å
297	D	94.2	Very high	92	Very high	73 Å²	73	60.2 Å²	60.2	39%	0.39	31%	0.305	S	S	.	.	S	Bend	trans	-79.2	-8.5	176.1	88.5	-6.2	0	0	0	113.2	K103 D293 D295 S299	K103-D297 IonicContact NZ-OD2 3.63Å; K103-D297 PolarHBondContact NZ-OD2 3.48Å; D293-D297 PolarHBondContact OD1-N 2.98Å; D293-D297 PolarHBondContact OD2-N 3.2Å; D295-D297 VanDerWaalsContact C-N 3.31Å; D295-D297 VanDerWaalsContact OD1-CB 3.31Å; D295-D297 WeakPolarHBondContact OD1-CB 3.11Å; D295-D297 PolarHBondContact OD1-N 3.43Å; D297-S299 WeakPolarHBondContact OD1-CA 3.32Å; D297-S299 WeakPolarHBondContact OD1-CB 3.41Å; D297-S299 PolarHBondContact OD1-N 2.69Å
298	G	93.7	Very high	92	Very high	32 Å²	32	60.6 Å²	60.6	33%	0.33	31%	0.306	S	S	.	.	S	Bend	trans	82.7	17.8	179.9	0	0	0	0	0	113.4	D293	D293-G298 WeakPolarHBondContact OD2-CA 3.5Å; D293-G298 PolarHBondContact OD2-N 3.17Å
299	S	95.7	Very high	91.7	Very high	27 Å²	27	61.8 Å²	61.8	19%	0.189	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	152.4	175.7	-59.7	0	0	0	0	110.2	I104 D297	I104-S299 CarbonylContact O-C 3.59Å; I104-S299 WeakPolarHBondContact O-CA 3.47Å; D297-S299 WeakPolarHBondContact OD1-CA 3.32Å; D297-S299 WeakPolarHBondContact OD1-CB 3.41Å; D297-S299 PolarHBondContact OD1-N 2.69Å
300	L	95	Very high	91.1	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.7	178.8	-58.4	-177.3	0	0	0	110.4	F93 K103 I104 L109 F289 T292 D293 V305 W312	F93-L300 WeakPolarHBondContact CE2-O 3.37Å; K103-L300 CarbonylContact C-O 3.53Å; K103-L300 VanDerWaalsContact CA-O 3.31Å; K103-L300 WeakPolarHBondContact CA-O 3.48Å; I104-L300 HydrophobicContact CB-CB 4.32Å; I104-L300 PolarHBondContact N-O 3.33Å; I104-L300 PolarHBondContact O-N 3.34Å; L109-L300 HydrophobicContact CD2-CD1 4.48Å; F289-L300 HydrophobicContact CD1-CD2 4.1Å; F289-L300 HydrophobicContact CD1-CG 4.09Å; F289-L300 HydrophobicContact CD2-CD1 4.21Å; F289-L300 HydrophobicContact CE1-CD1 4.42Å; F289-L300 HydrophobicContact CE1-CD2 4.18Å; F289-L300 HydrophobicContact CE1-CG 3.76Å; F289-L300 HydrophobicContact CE2-CD1 4.06Å; F289-L300 HydrophobicContact CE2-CG 4.23Å; F289-L300 HydrophobicContact CG-CD1 4.46Å; F289-L300 HydrophobicContact CG-CG 4.47Å; F289-L300 HydrophobicContact CZ-CD1 4.16Å; F289-L300 HydrophobicContact CZ-CG 3.83Å; T292-L300 HydrophobicContact CG2-CD1 4.14Å; T292-L300 HydrophobicContact CG2-CD2 3.89Å; D293-L300 HydrophobicContact CB-CD2 3.59Å; L300-V305 HydrophobicContact CB-CG2 3.96Å; L300-V305 HydrophobicContact CD1-CG2 4.38Å; L300-W312 HydrophobicContact CD1-CH2 3.84Å; L300-W312 HydrophobicContact CD1-CZ2 3.48Å; L300-W312 VanDerWaalsContact CD1-CZ2 3.48Å
301	T	95.4	Very high	90.7	Very high	38 Å²	38	61.7 Å²	61.7	23%	0.233	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	157.1	171.5	65.3	0	0	0	0	110.9	K103 E303 E304 V305	K103-T301 HydrophobicContact CG-CG2 4.43Å; T301-E303 PolarHBondContact O-N 3.28Å; T301-E304 WeakPolarHBondContact CB-OE2 3.43Å; T301-E304 PolarHBondContact N-OE2 2.89Å; T301-E304 PolarHBondContact O-N 2.85Å; T301-E304 VanDerWaalsContact O-N 3.15Å; T301-E304 WeakPolarHBondContact OG1-CG 3.31Å; T301-E304 PolarHBondContact OG1-N 3.42Å; T301-E304 PolarHBondContact OG1-OE2 3.17Å; T301-V305 PolarHBondContact O-N 3.38Å; T301-V305 VanDerWaalsContact O-N 3.11Å
302	K	93.6	Very high	90.4	Very high	72 Å²	72	57.4 Å²	57.4	31%	0.313	29%	0.291	S	S	.	.	H	α-helix	trans	-56.4	-34.3	174.7	-175	171.8	-176.3	166.2	0	112.7	G90 F93 H94 L306	G90-K302 PolarHBondContact O-NZ 2.97Å; F93-K302 HydrophobicContact CD1-CB 4.1Å; F93-K302 HydrophobicContact CD1-CD 4.36Å; F93-K302 HydrophobicContact CD1-CG 4.3Å; F93-K302 HydrophobicContact CD2-CB 4.13Å; F93-K302 HydrophobicContact CD2-CG 4.42Å; F93-K302 HydrophobicContact CE1-CB 3.98Å; F93-K302 VanDerWaalsContact CE2-CA 3.47Å; F93-K302 HydrophobicContact CE2-CB 4Å; F93-K302 VanDerWaalsContact CE2-N 3.32Å; F93-K302 HydrophobicContact CG-CB 4.19Å; F93-K302 HydrophobicContact CG-CG 4.19Å; F93-K302 HydrophobicContact CZ-CB 3.92Å; H94-K302 PolarHBondContact NE2-NZ 3.35Å; K302-L306 HydrophobicContact CG-CD1 3.88Å; K302-L306 HydrophobicContact CG-CG 4.28Å; K302-L306 WeakPolarHBondContact O-CB 3.49Å; K302-L306 WeakPolarHBondContact O-CG 3.36Å; K302-L306 PolarHBondContact O-N 3.1Å
303	E	93.1	Very high	89.7	Confident	165 Å²	165	57.5 Å²	57.5	77%	0.771	29%	0.292	S	S	*	.	H	α-helix	trans	-67	-42.9	178.9	-66.9	-176.9	-179.9	0	0	111.4	T301 L306 D307	T301-E303 PolarHBondContact O-N 3.28Å; E303-L306 PolarHBondContact O-N 2.92Å; E303-D307 WeakPolarHBondContact O-CB 3.4Å; E303-D307 PolarHBondContact O-N 2.68Å
304	E	93.4	Very high	88.4	Confident	27 Å²	27	57 Å²	57	13%	0.126	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-45.2	177.8	-69.9	166	127.2	0	0	112.2	T292 K294 T301 L306 D307 Q308	T292-E304 HydrophobicContact CG2-CB 4.02Å; K294-E304 PolarHBondContact N-OE1 2.9Å; T301-E304 WeakPolarHBondContact CB-OE2 3.43Å; T301-E304 PolarHBondContact N-OE2 2.89Å; T301-E304 PolarHBondContact O-N 2.85Å; T301-E304 VanDerWaalsContact O-N 3.15Å; T301-E304 WeakPolarHBondContact OG1-CG 3.31Å; T301-E304 PolarHBondContact OG1-N 3.42Å; T301-E304 PolarHBondContact OG1-OE2 3.17Å; E304-L306 VanDerWaalsContact C-N 3.33Å; E304-L306 PolarHBondContact O-N 3.01Å; E304-D307 PolarHBondContact O-N 2.86Å; E304-Q308 PolarHBondContact O-N 2.77Å; E304-Q308 VanDerWaalsContact O-N 3.14Å
305	V	91.9	Very high	86.6	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-42.5	176.7	174.1	0	0	0	0	111.3	L89 F93 T292 L300 T301 Q308 H309 W312	L89-V305 HydrophobicContact CD1-CG1 3.92Å; L89-V305 HydrophobicContact CD2-CG1 4.06Å; L89-V305 HydrophobicContact CG-CG1 3.99Å; F93-V305 HydrophobicContact CD2-CB 4.2Å; F93-V305 HydrophobicContact CD2-CG1 4.45Å; F93-V305 HydrophobicContact CD2-CG2 3.98Å; F93-V305 HydrophobicContact CE2-CG2 4.08Å; T292-V305 HydrophobicContact CG2-CG2 4.26Å; L300-V305 HydrophobicContact CB-CG2 3.96Å; L300-V305 HydrophobicContact CD1-CG2 4.38Å; T301-V305 PolarHBondContact O-N 3.38Å; T301-V305 VanDerWaalsContact O-N 3.11Å; V305-Q308 CarbonylContact O-C 3.54Å; V305-Q308 PolarHBondContact O-N 3.33Å; V305-H309 PolarHBondContact O-N 2.89Å; V305-W312 HydrophobicContact CG1-CD2 3.75Å; V305-W312 HydrophobicContact CG1-CE3 3.9Å; V305-W312 HydrophobicContact CG1-CG 4.24Å; V305-W312 HydrophobicContact CG1-CH2 4.43Å; V305-W312 HydrophobicContact CG1-CZ2 4.31Å; V305-W312 HydrophobicContact CG1-CZ3 4.23Å; V305-W312 HydrophobicContact CG2-CH2 4.04Å; V305-W312 HydrophobicContact CG2-CZ2 3.82Å
306	L	90	Very high	84.5	Confident	41 Å²	41	51.7 Å²	51.7	22%	0.215	27%	0.267	C	S	.	.	H	α-helix	trans	-72.9	-28.7	179	-69.5	177.3	0	0	0	113.5	K86 L89 K302 E303 E304	K86-L306 HydrophobicContact CB-CD2 4.16Å; K86-L306 HydrophobicContact CG-CD2 4.44Å; K86-L306 WeakPolarHBondContact O-CD2 3.44Å; L89-L306 HydrophobicContact CB-CD2 4.08Å; L89-L306 HydrophobicContact CD2-CD2 4.08Å; L89-L306 HydrophobicContact CG-CD2 4.01Å; K302-L306 HydrophobicContact CG-CD1 3.88Å; K302-L306 HydrophobicContact CG-CG 4.28Å; K302-L306 WeakPolarHBondContact O-CB 3.49Å; K302-L306 WeakPolarHBondContact O-CG 3.36Å; K302-L306 PolarHBondContact O-N 3.1Å; E303-L306 PolarHBondContact O-N 2.92Å; E304-L306 VanDerWaalsContact C-N 3.33Å; E304-L306 PolarHBondContact O-N 3.01Å
307	D	88.8	Confident	82.3	Confident	110 Å²	110	46.8 Å²	46.8	59%	0.588	26%	0.26	S	S	*	.	H	α-helix	trans	-65.8	-41.5	173.7	-174	71.6	0	0	0	110.7	E303 E304 H309	E303-D307 WeakPolarHBondContact O-CB 3.4Å; E303-D307 PolarHBondContact O-N 2.68Å; E304-D307 PolarHBondContact O-N 2.86Å; D307-H309 VanDerWaalsContact C-N 3.35Å; D307-H309 PolarHBondContact O-N 3.01Å
308	Q	86.4	Confident	80.1	Confident	54 Å²	54	46.3 Å²	46.3	25%	0.252	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	30.2	178	-60.3	-61.1	-60.9	0	0	113.6	T292 E304 V305 D310 L311 W312	T292-Q308 HydrophobicContact CG2-CB 4.43Å; T292-Q308 HydrophobicContact CG2-CG 4.45Å; E304-Q308 PolarHBondContact O-N 2.77Å; E304-Q308 VanDerWaalsContact O-N 3.14Å; V305-Q308 CarbonylContact O-C 3.54Å; V305-Q308 PolarHBondContact O-N 3.33Å; Q308-D310 PolarHBondContact O-N 2.97Å; Q308-L311 HydrophobicContact CB-CB 4.47Å; Q308-L311 WeakPolarHBondContact O-CB 3.32Å; Q308-L311 PolarHBondContact O-N 2.72Å; Q308-W312 PolarHBondContact O-N 3.43Å
309	H	82.5	Confident	77.6	Confident	27 Å²	27	45.8 Å²	45.8	13%	0.125	25%	0.249	C	C	.	.	H	α-helix	trans	-52.7	-34.4	-175.5	72.7	-58	0	0	0	115	K86 L89 V305 D307 L311 W312 V313	K86-H309 HydrophobicContact CG-CB 4.45Å; L89-H309 HydrophobicContact CD2-CB 3.63Å; V305-H309 PolarHBondContact O-N 2.89Å; D307-H309 VanDerWaalsContact C-N 3.35Å; D307-H309 PolarHBondContact O-N 3.01Å; H309-L311 VanDerWaalsContact C-N 3.3Å; H309-L311 PolarHBondContact O-N 2.7Å; H309-W312 PolarHBondContact O-N 3.11Å; H309-V313 VanDerWaalsContact O-CG2 3.31Å; H309-V313 WeakPolarHBondContact O-CG2 3.49Å; H309-V313 PolarHBondContact O-N 3.29Å
310	D	80.4	Confident	74.7	Confident	69 Å²	69	52.2 Å²	52.2	37%	0.369	27%	0.271	S	S	.	.	H	α-helix	trans	-60.8	-36	177.2	-68.5	-48.8	0	0	0	112.8	Q308 G314 S315	Q308-D310 PolarHBondContact O-N 2.97Å; D310-G314 WeakPolarHBondContact O-CA 3.33Å; D310-G314 PolarHBondContact O-N 3.38Å; D310-S315 WeakPolarHBondContact OD1-CB 3.39Å; D310-S315 PolarHBondContact OD1-OG 3.15Å
311	L	82.2	Confident	71.9	Confident	50 Å²	50	54.1 Å²	54.1	26%	0.262	29%	0.29	S	S	.	.	H	α-helix	trans	-69.3	-40.7	177.2	177.9	71	0	0	0	110.9	L288 E291 Q308 H309	L288-L311 HydrophobicContact CD2-CD2 4.1Å; L288-L311 HydrophobicContact CD2-CG 4.11Å; E291-L311 HydrophobicContact CB-CD2 3.45Å; E291-L311 VanDerWaalsContact CB-CD2 3.45Å; E291-L311 HydrophobicContact CG-CD2 4.27Å; Q308-L311 HydrophobicContact CB-CB 4.47Å; Q308-L311 WeakPolarHBondContact O-CB 3.32Å; Q308-L311 PolarHBondContact O-N 2.72Å; H309-L311 VanDerWaalsContact C-N 3.3Å; H309-L311 PolarHBondContact O-N 2.7Å
312	W	82.1	Confident	69.4	Low	1 Å²	1	56.7 Å²	56.7	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-79.1	-44.9	-171.1	-76	65.6	0	0	0	113.4	I67 L89 I96 L109 L288 T292 L300 V305 Q308 H309	I67-W312 VanDerWaalsContact CB-O 3.26Å; I67-W312 WeakPolarHBondContact CB-O 3.23Å; I67-W312 HydrophobicContact CD1-CE3 4.39Å; I67-W312 HydrophobicContact CG2-CB 4.41Å; I67-W312 HydrophobicContact CG2-CE3 3.92Å; I67-W312 VanDerWaalsContact CG2-O 3.29Å; I67-W312 WeakPolarHBondContact CG2-O 3.24Å; L89-W312 HydrophobicContact CD1-CB 4.09Å; L89-W312 HydrophobicContact CD1-CE3 4.3Å; L89-W312 HydrophobicContact CD2-CB 4.23Å; I96-W312 HydrophobicContact CD1-CZ3 4.04Å; L109-W312 HydrophobicContact CD1-CH2 3.92Å; L109-W312 HydrophobicContact CD1-CZ3 4.02Å; L109-W312 HydrophobicContact CD2-CH2 4.07Å; L288-W312 HydrophobicContact CB-CZ2 4.42Å; T292-W312 HydrophobicContact CG2-CZ2 4.34Å; T292-W312 PolarHBondContact OG1-NE1 2.91Å; L300-W312 HydrophobicContact CD1-CH2 3.84Å; L300-W312 HydrophobicContact CD1-CZ2 3.48Å; L300-W312 VanDerWaalsContact CD1-CZ2 3.48Å; V305-W312 HydrophobicContact CG1-CD2 3.75Å; V305-W312 HydrophobicContact CG1-CE3 3.9Å; V305-W312 HydrophobicContact CG1-CG 4.24Å; V305-W312 HydrophobicContact CG1-CH2 4.43Å; V305-W312 HydrophobicContact CG1-CZ2 4.31Å; V305-W312 HydrophobicContact CG1-CZ3 4.23Å; V305-W312 HydrophobicContact CG2-CH2 4.04Å; V305-W312 HydrophobicContact CG2-CZ2 3.82Å; Q308-W312 PolarHBondContact O-N 3.43Å; H309-W312 PolarHBondContact O-N 3.11Å
313	V	75.8	Confident	66.8	Low	1 Å²	1	59.4 Å²	59.4	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-125.7	0.3	-173.6	-64.6	0	0	0	0	113.2	I67 T68 F77 L89 H309	I67-V313 HydrophobicContact CG2-CG1 4.43Å; T68-V313 HydrophobicContact CG2-CG1 4.16Å; F77-V313 HydrophobicContact CD1-CB 4.02Å; F77-V313 HydrophobicContact CD1-CG1 4.24Å; F77-V313 HydrophobicContact CD1-CG2 4.05Å; F77-V313 HydrophobicContact CE1-CB 4.18Å; F77-V313 HydrophobicContact CE1-CG1 3.95Å; F77-V313 HydrophobicContact CE1-CG2 4.12Å; F77-V313 HydrophobicContact CE2-CG1 4.39Å; F77-V313 HydrophobicContact CG-CB 4.38Å; F77-V313 HydrophobicContact CZ-CG1 4.02Å; L89-V313 HydrophobicContact CD1-CG1 4.03Å; L89-V313 HydrophobicContact CD2-CG2 4.48Å; H309-V313 VanDerWaalsContact O-CG2 3.31Å; H309-V313 WeakPolarHBondContact O-CG2 3.49Å; H309-V313 PolarHBondContact O-N 3.29Å
314	G	66.2	Low	64.4	Low	8 Å²	8	57.6 Å²	57.6	8%	0.082	30%	0.304	C	S	.	.			trans	75.2	169.5	-174.1	0	0	0	0	0	112.3	H64 D310	H64-G314 WeakPolarHBondContact CE1-CA 3.05Å; H64-G314 PolarHBondContact CE1-N 3.32Å; H64-G314 PolarHBondContact ND1-N 2.8Å; H64-G314 WeakPolarHBondContact NE2-CA 3.11Å; D310-G314 WeakPolarHBondContact O-CA 3.33Å; D310-G314 PolarHBondContact O-N 3.38Å
315	S	53.5	Low	62	Low	24 Å²	24	63.7 Å²	63.7	17%	0.168	33%	0.333	C	S	.	.			trans	-133.8	158.8	162.4	56.8	0	0	0	0	111.3	D310 A317 T318	D310-S315 WeakPolarHBondContact OD1-CB 3.39Å; D310-S315 PolarHBondContact OD1-OG 3.15Å; S315-A317 PolarHBondContact O-N 2.87Å; S315-A317 VanDerWaalsContact O-N 3.1Å; S315-T318 PolarHBondContact O-N 2.83Å; S315-T318 PolarHBondContact O-OG1 3.02Å
316	Q	47.7	Very low	59.4	Low	87 Å²	87	70.6 Å²	70.6	41%	0.407	37%	0.369	S	S	.	.	H	α-helix	trans	-48.3	-38.9	170.4	-70.1	-174.3	9.8	0	0	111.6	K78 T318 D319 Y320	K78-Q316 VanDerWaalsContact O-CD 3.26Å; K78-Q316 WeakPolarHBondContact O-CG 3.35Å; K78-Q316 PolarHBondContact O-NE2 3.19Å; Q316-T318 PolarHBondContact O-N 3Å; Q316-D319 PolarHBondContact O-N 2.8Å; Q316-Y320 HydrophobicContact CB-CD2 4.28Å; Q316-Y320 HydrophobicContact CB-CE2 4.16Å; Q316-Y320 WeakPolarHBondContact O-CD2 3.43Å; Q316-Y320 PolarHBondContact O-N 2.88Å; Q316-Y320 VanDerWaalsContact O-N 3.08Å
317	A	46.4	Very low	56.7	Low	75 Å²	75	73.4 Å²	73.4	62%	0.62	38%	0.384	S	S	*	.	H	α-helix	trans	-68.9	-34.5	-170.6	0	0	0	0	0	113.9	S315 G321	S315-A317 PolarHBondContact O-N 2.87Å; S315-A317 VanDerWaalsContact O-N 3.1Å; A317-G321 PolarHBondContact O-N 3.46Å
318	T	49.2	Very low	54.4	Low	63 Å²	63	73 Å²	73	39%	0.387	39%	0.387	S	S	.	.	H	α-helix	trans	-73	-36.2	177.6	41.1	0	0	0	0	111.9	S315 Q316 G321 R322	S315-T318 PolarHBondContact O-N 2.83Å; S315-T318 PolarHBondContact O-OG1 3.02Å; Q316-T318 PolarHBondContact O-N 3Å; T318-G321 PolarHBondContact O-N 2.99Å; T318-R322 PolarHBondContact O-N 2.85Å
319	D	40	Very low	52.5	Low	21 Å²	21	80 Å²	80	11%	0.112	42%	0.417	C	S	.	.	H	α-helix	trans	-74.3	-33.7	177.6	-79.1	-11	0	0	0	113.2	K78 Q316 G321 R322 H323	K78-D319 WeakPolarHBondContact CE-OD2 3.39Å; K78-D319 IonicContact NZ-OD2 2.94Å; K78-D319 PolarHBondContact NZ-OD2 3.47Å; Q316-D319 PolarHBondContact O-N 2.8Å; D319-G321 VanDerWaalsContact C-N 3.28Å; D319-G321 PolarHBondContact O-N 2.8Å; D319-R322 PolarHBondContact O-N 2.88Å; D319-R322 IonicContact OD1-CZ 3.77Å; D319-R322 IonicContact OD1-NE 2.92Å; D319-R322 IonicContact OD1-NH2 3.37Å; D319-R322 PolarHBondContact OD1-NH2 3.44Å; D319-H323 WeakPolarHBondContact O-CB 3.38Å; D319-H323 PolarHBondContact O-N 2.96Å
320	Y	34.3	Very low	50.6	Low	162 Å²	162	85.6 Å²	85.6	64%	0.635	45%	0.448	S	S	*	.	H	α-helix	trans	-65.1	-31.4	170.2	-79.9	-69.5	0	0	0	112.5	Q316 L324	Q316-Y320 HydrophobicContact CB-CD2 4.28Å; Q316-Y320 HydrophobicContact CB-CE2 4.16Å; Q316-Y320 WeakPolarHBondContact O-CD2 3.43Å; Q316-Y320 PolarHBondContact O-N 2.88Å; Q316-Y320 VanDerWaalsContact O-N 3.08Å; Y320-L324 WeakPolarHBondContact O-CG 3.12Å; Y320-L324 PolarHBondContact O-N 2.71Å
321	G	37.5	Very low	48.6	Very low	40 Å²	40	91.4 Å²	91.4	41%	0.412	47%	0.473	S	S	.	.	H	α-helix	trans	-64	-39	173.6	0	0	0	0	0	112.9	A317 T318 D319	A317-G321 PolarHBondContact O-N 3.46Å; T318-G321 PolarHBondContact O-N 2.99Å; D319-G321 VanDerWaalsContact C-N 3.28Å; D319-G321 PolarHBondContact O-N 2.8Å
322	R	41.5	Very low	46.5	Very low	93 Å²	93	100.8 Å²	100.8	35%	0.351	52%	0.522	S	S	.	.	H	α-helix	trans	-86.9	-29.5	-179	-68.7	-170.4	-67.8	-160.8	-3.5	114.2	S60 T318 D319 L324 E325 N326	S60-R322 VanDerWaalsContact CB-NH1 3.34Å; S60-R322 VanDerWaalsContact CB-NH2 3.29Å; S60-R322 PolarHBondContact OG-NH2 2.93Å; T318-R322 PolarHBondContact O-N 2.85Å; D319-R322 PolarHBondContact O-N 2.88Å; D319-R322 IonicContact OD1-CZ 3.77Å; D319-R322 IonicContact OD1-NE 2.92Å; D319-R322 IonicContact OD1-NH2 3.37Å; D319-R322 PolarHBondContact OD1-NH2 3.44Å; R322-L324 PolarHBondContact O-N 2.82Å; R322-E325 PolarHBondContact O-N 2.76Å; R322-N326 PolarHBondContact O-N 3.27Å
323	H	40.7	Very low	44.7	Very low	128 Å²	128	105.8 Å²	105.8	59%	0.593	55%	0.548	S	S	*	.	H	α-helix	trans	-59	-29.3	168.8	-104.2	73.9	0	0	0	111.7	D319 E325 L327	D319-H323 WeakPolarHBondContact O-CB 3.38Å; D319-H323 PolarHBondContact O-N 2.96Å; H323-E325 VanDerWaalsContact C-N 3.34Å; H323-L327 WeakPolarHBondContact O-CG 3.31Å; H323-L327 PolarHBondContact O-N 2.84Å
324	L	41.1	Very low	43.1	Very low	127 Å²	127	111.3 Å²	111.3	67%	0.665	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-24.1	172.5	-68.5	175.6	0	0	0	113.8	Y320 R322 L327	Y320-L324 WeakPolarHBondContact O-CG 3.12Å; Y320-L324 PolarHBondContact O-N 2.71Å; R322-L324 PolarHBondContact O-N 2.82Å; L324-L327 HydrophobicContact CD2-CD1 4.07Å
325	E	43.3	Very low	41.8	Very low	156 Å²	156	117.1 Å²	117.1	73%	0.729	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-30.7	177.1	-67.3	-172.8	158.7	0	0	112.3	R322 H323	R322-E325 PolarHBondContact O-N 2.76Å; H323-E325 VanDerWaalsContact C-N 3.34Å
326	N	37.4	Very low	41.1	Very low	145 Å²	145	122.5 Å²	122.5	78%	0.775	63%	0.63	S	S	*	*	S	Bend	trans	-94.4	0.3	178.2	-73.4	-21.3	0	0	0	114.6	R322	R322-N326 PolarHBondContact O-N 3.27Å
327	L	32.8	Very low	40.7	Very low	101 Å²	101	124.8 Å²	124.8	53%	0.529	64%	0.644	S	S	.	*	S	Bend	trans	-69.9	125.5	164.2	-76.8	170	0	0	0	108	H323 L324 K329	H323-L327 WeakPolarHBondContact O-CG 3.31Å; H323-L327 PolarHBondContact O-N 2.84Å; L324-L327 HydrophobicContact CD2-CD1 4.07Å; L327-K329 PolarHBondContact O-N 2.9Å; L327-K329 VanDerWaalsContact O-N 3.08Å
328	P	41.9	Very low	40.3	Very low	100 Å²	100	128.1 Å²	128.1	65%	0.649	65%	0.645	S	S	*	*			trans	-52.7	127.7	169.1	22.5	-30.5	0	0	0	106.7	D330	P328-D330 PolarHBondContact O-N 3.5Å
329	K	46.8	Very low	39.7	Very low	202 Å²	202	132.7 Å²	132.7	88%	0.878	66%	0.664	S	S	*	*			trans	-60.6	88.7	176	-71.2	178.3	178.9	172.1	0	107.3	L327 E331	L327-K329 PolarHBondContact O-N 2.9Å; L327-K329 VanDerWaalsContact O-N 3.08Å; K329-E331 PolarHBondContact O-N 2.69Å; K329-E331 VanDerWaalsContact O-N 3.1Å
330	D	42.3	Very low	39.6	Very low	145 Å²	145	141.3 Å²	141.3	78%	0.775	71%	0.706	S	S	*	*			trans	-62.9	117.5	175.1	-88.3	-20.6	0	0	0	107.1	P328 L332	P328-D330 PolarHBondContact O-N 3.5Å; D330-L332 PolarHBondContact O-N 3.02Å
331	E	38	Very low	40.1	Very low	191 Å²	191	139.6 Å²	139.6	89%	0.893	71%	0.712	S	S	*	*			trans	-54.5	116.3	178.1	-60.1	-178	159.6	0	0	109.9	K329	K329-E331 PolarHBondContact O-N 2.69Å; K329-E331 VanDerWaalsContact O-N 3.1Å
332	L	37.8	Very low	40.3	Very low	247 Å²	247	148.6 Å²	148.6	100%	1.293	74%	0.739	S	S	*	*			trans	-130.6	0	160.1	-86.4	178.1	0	0	0	110.7	D330	D330-L332 PolarHBondContact O-N 3.02Å

Retrieved 332 of 332 residues in 611 ms (Link to these results)

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