A0A096NS16_PAPAN Loading...

Inhibitor of growth protein

Component of an histone acetyltransferase complex.

AlphaFold DB (Q9UNL4), UniProt , Accession A0A096NS16, Species PAPAN (Papio anubis, Olive baboon), Gene ING4, Length 249 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	56	Low	74.2	Confident	215 Å²	215	95.2 Å²	95.2	100%	1.059	51%	0.505	S	S	*	.				0	-76.7	0	-69.6	-165.4	-81.8	0	0	110.6	A3 G4	M1-A3 PolarHBondContact O-N 2.59Å; M1-G4 PolarHBondContact O-N 2.77Å
2	A	65.9	Low	74.6	Confident	40 Å²	40	96.1 Å²	96.1	33%	0.331	51%	0.51	S	S	.	.	H	α-helix	trans	-41.4	-50.4	-173.4	0	0	0	0	0	116.1	G4 M5 Y6	A2-G4 PolarHBondContact O-N 3.05Å; A2-G4 VanDerWaalsContact O-N 3.11Å; A2-M5 WeakPolarHBondContact O-CB 3.48Å; A2-M5 PolarHBondContact O-N 2.83Å; A2-Y6 HydrophobicContact CB-CE2 3.84Å; A2-Y6 WeakPolarHBondContact O-CD2 3.13Å; A2-Y6 WeakPolarHBondContact O-CE2 3.49Å; A2-Y6 PolarHBondContact O-N 2.65Å
3	A	69.1	Low	74.6	Confident	81 Å²	81	88.9 Å²	88.9	67%	0.669	47%	0.473	S	S	*	.	H	α-helix	trans	-53.6	-31.8	178.3	0	0	0	0	0	115.3	M1	M1-A3 PolarHBondContact O-N 2.59Å
4	G	75	Confident	75.3	Confident	31 Å²	31	85.5 Å²	85.5	32%	0.32	45%	0.454	S	S	.	.	H	α-helix	trans	-71.5	-42.7	174.7	0	0	0	0	0	112.1	M1 A2 Y6 L7 E8	M1-G4 PolarHBondContact O-N 2.77Å; A2-G4 PolarHBondContact O-N 3.05Å; A2-G4 VanDerWaalsContact O-N 3.11Å; G4-Y6 PolarHBondContact O-N 3.01Å; G4-L7 WeakPolarHBondContact O-CB 3.22Å; G4-L7 PolarHBondContact O-N 2.75Å; G4-E8 WeakPolarHBondContact O-CG 3.37Å; G4-E8 PolarHBondContact O-N 3.02Å
5	M	77.7	Confident	76	Confident	122 Å²	122	89.7 Å²	89.7	60%	0.601	47%	0.47	S	S	*	.	H	α-helix	trans	-64.3	-35.9	-177.8	-61	172.3	65.7	0	0	113	A2 H9	A2-M5 WeakPolarHBondContact O-CB 3.48Å; A2-M5 PolarHBondContact O-N 2.83Å; M5-H9 WeakPolarHBondContact O-CB 3.38Å; M5-H9 PolarHBondContact O-N 2.86Å
6	Y	73.6	Confident	76.6	Confident	68 Å²	68	89.8 Å²	89.8	27%	0.267	47%	0.471	S	S	.	.	H	α-helix	trans	-70.3	-34.6	173.6	-51.7	-74.7	0	0	0	111.9	A2 G4 Y10 F107 D110	A2-Y6 HydrophobicContact CB-CE2 3.84Å; A2-Y6 WeakPolarHBondContact O-CD2 3.13Å; A2-Y6 WeakPolarHBondContact O-CE2 3.49Å; A2-Y6 PolarHBondContact O-N 2.65Å; G4-Y6 PolarHBondContact O-N 3.01Å; Y6-Y10 VanDerWaalsContact O-CB 3.23Å; Y6-Y10 WeakPolarHBondContact O-CB 3.47Å; Y6-Y10 PolarHBondContact O-N 3.34Å; Y6-F107 HydrophobicContact CD1-CB 4.41Å; Y6-F107 HydrophobicContact CD1-CD2 4.01Å; Y6-F107 AromaticContact CD2-CD2 3.54Å; Y6-F107 HydrophobicContact CD2-CD2 3.54Å; Y6-F107 AromaticContact CD2-CE2 3.73Å; Y6-F107 HydrophobicContact CD2-CE2 3.73Å; Y6-F107 HydrophobicContact CE1-CB 4.46Å; Y6-F107 HydrophobicContact CE1-CD2 4.05Å; Y6-F107 AromaticContact CE2-CD2 3.6Å; Y6-F107 HydrophobicContact CE2-CD2 3.6Å; Y6-F107 AromaticContact CE2-CE2 3.86Å; Y6-F107 HydrophobicContact CE2-CE2 3.86Å; Y6-F107 AromaticContact CG-CD2 3.77Å; Y6-F107 HydrophobicContact CG-CD2 3.77Å; Y6-F107 HydrophobicContact CG-CE2 4.32Å; Y6-F107 AromaticContact CZ-CD2 3.87Å; Y6-D110 WeakPolarHBondContact CE1-OD2 2.83Å; Y6-D110 WeakPolarHBondContact OH-CB 3.38Å; Y6-D110 PolarHBondContact OH-OD2 3.42Å
7	L	77.3	Confident	77.4	Confident	100 Å²	100	85.9 Å²	85.9	52%	0.524	45%	0.451	S	S	.	.	H	α-helix	trans	-70.7	-41.1	176	-179.7	61.5	0	0	0	111.5	G4 Y10 L11	G4-L7 WeakPolarHBondContact O-CB 3.22Å; G4-L7 PolarHBondContact O-N 2.75Å; L7-Y10 PolarHBondContact O-N 3.32Å; L7-L11 HydrophobicContact CD1-CD1 4.25Å; L7-L11 HydrophobicContact CD1-CG 4.29Å; L7-L11 HydrophobicContact CG-CD1 4.09Å; L7-L11 WeakPolarHBondContact O-CB 3.4Å; L7-L11 VanDerWaalsContact O-CG 3.25Å; L7-L11 WeakPolarHBondContact O-CG 3.44Å; L7-L11 PolarHBondContact O-N 3.05Å
8	E	80.7	Confident	78.3	Confident	118 Å²	118	85.8 Å²	85.8	55%	0.551	46%	0.456	S	S	*	.	H	α-helix	trans	-58.1	-53.5	171.6	-72	160.3	-179.9	0	0	110	G4 Y10 L11 D12	G4-E8 WeakPolarHBondContact O-CG 3.37Å; G4-E8 PolarHBondContact O-N 3.02Å; E8-Y10 VanDerWaalsContact C-N 3.28Å; E8-Y10 PolarHBondContact O-N 3.04Å; E8-L11 PolarHBondContact O-N 2.87Å; E8-L11 VanDerWaalsContact O-N 3.12Å; E8-D12 WeakPolarHBondContact O-CB 3.47Å; E8-D12 VanDerWaalsContact O-CG 3.24Å; E8-D12 PolarHBondContact O-N 2.9Å
9	H	77.7	Confident	79	Confident	72 Å²	72	88.5 Å²	88.5	33%	0.333	46%	0.464	S	S	.	.	H	α-helix	trans	-64.2	-29.6	178.7	-165.8	-104.6	0	0	0	113.9	M5 S13 R99 D103	M5-H9 WeakPolarHBondContact O-CB 3.38Å; M5-H9 PolarHBondContact O-N 2.86Å; H9-S13 WeakPolarHBondContact O-CB 3.48Å; H9-S13 PolarHBondContact O-N 2.9Å; H9-S13 VanDerWaalsContact O-N 3.11Å; H9-R99 PolarHBondContact CD2-NH2 2.72Å; H9-R99 PolarHBondContact CE1-NE 3.19Å; H9-R99 PolarHBondContact CE1-NH2 3.04Å; H9-R99 PolarHBondContact NE2-NH2 3.11Å; H9-D103 VanDerWaalsContact CE1-CG 3.49Å; H9-D103 IonicContact CE1-OD1 2.67Å; H9-D103 PolarHBondContact CE1-OD1 2.71Å; H9-D103 IonicContact CE1-OD2 3.25Å; H9-D103 PolarHBondContact CE1-OD2 3.29Å; H9-D103 VanDerWaalsContact ND1-CG 3.33Å; H9-D103 IonicContact ND1-OD1 2.73Å; H9-D103 IonicContact ND1-OD2 2.59Å; H9-D103 PolarHBondContact ND1-OD2 2.74Å
10	Y	79.7	Confident	79.7	Confident	110 Å²	110	88.2 Å²	88.2	43%	0.431	46%	0.46	S	S	.	.	H	α-helix	trans	-66.6	-49.1	171.3	177.5	-90.8	0	0	0	111.1	Y6 L7 E8 S13 I14 L100	Y6-Y10 VanDerWaalsContact O-CB 3.23Å; Y6-Y10 WeakPolarHBondContact O-CB 3.47Å; Y6-Y10 PolarHBondContact O-N 3.34Å; L7-Y10 PolarHBondContact O-N 3.32Å; E8-Y10 VanDerWaalsContact C-N 3.28Å; E8-Y10 PolarHBondContact O-N 3.04Å; Y10-S13 WeakPolarHBondContact O-CA 3.4Å; Y10-S13 WeakPolarHBondContact O-CB 3.32Å; Y10-S13 PolarHBondContact O-N 3.48Å; Y10-I14 HydrophobicContact CD1-CD1 4.18Å; Y10-I14 HydrophobicContact CD1-CG1 4.47Å; Y10-I14 HydrophobicContact CE1-CD1 3.48Å; Y10-I14 VanDerWaalsContact CE1-CD1 3.48Å; Y10-I14 HydrophobicContact CE1-CG1 4.2Å; Y10-I14 WeakPolarHBondContact O-CG1 3.17Å; Y10-I14 PolarHBondContact O-N 3.4Å; Y10-L100 HydrophobicContact CD2-CD2 3.41Å; Y10-L100 VanDerWaalsContact CD2-CD2 3.41Å; Y10-L100 HydrophobicContact CE2-CD1 4.24Å; Y10-L100 HydrophobicContact CE2-CD2 3.54Å; Y10-L100 HydrophobicContact CG-CD2 4.4Å
11	L	83.4	Confident	80.4	Confident	90 Å²	90	85.9 Å²	85.9	47%	0.471	45%	0.448	S	S	.	.	H	α-helix	trans	-63.5	-46.4	178.4	-68.3	169.6	0	0	0	111.1	L7 E8 S13 I14 E15	L7-L11 HydrophobicContact CD1-CD1 4.25Å; L7-L11 HydrophobicContact CD1-CG 4.29Å; L7-L11 HydrophobicContact CG-CD1 4.09Å; L7-L11 WeakPolarHBondContact O-CB 3.4Å; L7-L11 VanDerWaalsContact O-CG 3.25Å; L7-L11 WeakPolarHBondContact O-CG 3.44Å; L7-L11 PolarHBondContact O-N 3.05Å; E8-L11 PolarHBondContact O-N 2.87Å; E8-L11 VanDerWaalsContact O-N 3.12Å; L11-S13 PolarHBondContact O-N 3.43Å; L11-I14 PolarHBondContact O-N 3.49Å; L11-E15 WeakPolarHBondContact O-CB 3.27Å; L11-E15 PolarHBondContact O-N 2.9Å
12	D	78.9	Confident	82.3	Confident	106 Å²	106	82.5 Å²	82.5	57%	0.567	43%	0.429	S	S	*	.	H	α-helix	trans	-59.3	-16.2	170.6	-67	-0.6	0	0	0	113.3	E8 R99	E8-D12 WeakPolarHBondContact O-CB 3.47Å; E8-D12 VanDerWaalsContact O-CG 3.24Å; E8-D12 PolarHBondContact O-N 2.9Å; D12-R99 PolarHBondContact O-NH1 3.31Å; D12-R99 VanDerWaalsContact O-NH1 3.17Å
13	S	75.3	Confident	83.8	Confident	3 Å²	3	87.2 Å²	87.2	2%	0.021	44%	0.438	C	S	.	.	H	α-helix	trans	-84.3	-34.9	173.2	-166.7	0	0	0	0	112.6	H9 Y10 L11 H96 R99	H9-S13 WeakPolarHBondContact O-CB 3.48Å; H9-S13 PolarHBondContact O-N 2.9Å; H9-S13 VanDerWaalsContact O-N 3.11Å; Y10-S13 WeakPolarHBondContact O-CA 3.4Å; Y10-S13 WeakPolarHBondContact O-CB 3.32Å; Y10-S13 PolarHBondContact O-N 3.48Å; L11-S13 PolarHBondContact O-N 3.43Å; S13-H96 PolarHBondContact O-CE1 3.43Å; S13-H96 PolarHBondContact O-ND1 3.07Å; S13-R99 VanDerWaalsContact OG-CD 3.22Å; S13-R99 WeakPolarHBondContact OG-CD 3.48Å; S13-R99 WeakPolarHBondContact OG-CG 3.45Å; S13-R99 PolarHBondContact OG-NE 3Å
14	I	83.8	Confident	85.1	Confident	41 Å²	41	84 Å²	84	21%	0.21	41%	0.41	C	S	.	.	H	α-helix	trans	-112.8	-7.4	-172.8	61.4	163.1	0	0	0	115.4	Y10 L11 N16 L17 P18 L100	Y10-I14 HydrophobicContact CD1-CD1 4.18Å; Y10-I14 HydrophobicContact CD1-CG1 4.47Å; Y10-I14 HydrophobicContact CE1-CD1 3.48Å; Y10-I14 VanDerWaalsContact CE1-CD1 3.48Å; Y10-I14 HydrophobicContact CE1-CG1 4.2Å; Y10-I14 WeakPolarHBondContact O-CG1 3.17Å; Y10-I14 PolarHBondContact O-N 3.4Å; L11-I14 PolarHBondContact O-N 3.49Å; I14-N16 VanDerWaalsContact C-N 3.33Å; I14-N16 PolarHBondContact O-N 3.21Å; I14-L17 WeakPolarHBondContact O-CB 3.34Å; I14-L17 PolarHBondContact O-N 3.37Å; I14-P18 WeakPolarHBondContact O-CD 3.42Å; I14-L100 HydrophobicContact CG2-CD1 4.24Å
15	E	85.6	Confident	86.2	Confident	149 Å²	149	88.6 Å²	88.6	70%	0.696	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-47.6	-172.8	-174.9	178.9	-141.6	0	0	113.7	L11	L11-E15 WeakPolarHBondContact O-CB 3.27Å; L11-E15 PolarHBondContact O-N 2.9Å
16	N	86.1	Confident	87.1	Confident	91 Å²	91	86.9 Å²	86.9	49%	0.487	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-19.3	-177.9	-64.2	-69.9	0	0	0	113.8	I14 F19 E20	I14-N16 VanDerWaalsContact C-N 3.33Å; I14-N16 PolarHBondContact O-N 3.21Å; N16-F19 PolarHBondContact O-N 3.44Å; N16-F19 VanDerWaalsContact O-N 3.1Å; N16-E20 PolarHBondContact O-N 3.15Å
17	L	90.4	Very high	88.3	Confident	24 Å²	24	86.6 Å²	86.6	13%	0.126	42%	0.415	C	S	.	.	H	α-helix	trans	-60.3	-44.9	-171.5	173.9	61.5	0	0	0	113.4	I14 F19 E20 L21 M92 V93 H96	I14-L17 WeakPolarHBondContact O-CB 3.34Å; I14-L17 PolarHBondContact O-N 3.37Å; L17-F19 VanDerWaalsContact C-N 3.29Å; L17-F19 PolarHBondContact O-N 3.08Å; L17-E20 PolarHBondContact O-N 3.46Å; L17-L21 HydrophobicContact CD1-CD1 3.72Å; L17-L21 HydrophobicContact CD1-CG 3.8Å; L17-L21 HydrophobicContact CG-CD1 3.87Å; L17-L21 HydrophobicContact CG-CG 4.39Å; L17-L21 VanDerWaalsContact O-CB 3.29Å; L17-L21 WeakPolarHBondContact O-CB 3.47Å; L17-L21 WeakPolarHBondContact O-CG 3.06Å; L17-L21 PolarHBondContact O-N 2.9Å; L17-M92 HydrophobicContact CD1-CE 3.79Å; L17-M92 HydrophobicContact CD1-CG 4.2Å; L17-M92 HydrophobicContact CD1-SD 4.26Å; L17-V93 HydrophobicContact CD1-CG2 4.22Å; L17-H96 HydrophobicContact CD2-CB 3.96Å
18	P	92.7	Very high	89.2	Confident	83 Å²	83	83.7 Å²	83.7	54%	0.539	40%	0.399	S	S	.	.	H	α-helix	trans	-59.9	-36.7	174.7	-25.9	34.7	0	0	0	113.6	I14 Q22	I14-P18 WeakPolarHBondContact O-CD 3.42Å; P18-Q22 VanDerWaalsContact O-CB 3.25Å; P18-Q22 WeakPolarHBondContact O-CB 3.27Å; P18-Q22 PolarHBondContact O-N 3.01Å
19	F	92.7	Very high	90.1	Very high	138 Å²	138	85.8 Å²	85.8	61%	0.605	40%	0.402	S	S	*	.	H	α-helix	trans	-72.7	-44.8	179.9	178.4	-99.3	0	0	0	111.6	N16 L17 Q22 R23	N16-F19 PolarHBondContact O-N 3.44Å; N16-F19 VanDerWaalsContact O-N 3.1Å; L17-F19 VanDerWaalsContact C-N 3.29Å; L17-F19 PolarHBondContact O-N 3.08Å; F19-Q22 PolarHBondContact O-N 2.79Å; F19-R23 VanDerWaalsContact O-CB 3.3Å; F19-R23 WeakPolarHBondContact O-CB 3.45Å; F19-R23 PolarHBondContact O-N 3.17Å
20	E	92.7	Very high	91	Very high	82 Å²	82	85.2 Å²	85.2	38%	0.383	40%	0.401	S	S	.	.	H	α-helix	trans	-65.2	-40.9	176.5	-67.7	-179.6	-158.2	0	0	111.5	N16 L17 R23 N24 M92	N16-E20 PolarHBondContact O-N 3.15Å; L17-E20 PolarHBondContact O-N 3.46Å; E20-R23 PolarHBondContact O-N 2.96Å; E20-N24 WeakPolarHBondContact O-CB 3.2Å; E20-N24 PolarHBondContact O-N 3.48Å; E20-N24 PolarHBondContact O-OD1 2.7Å; E20-M92 HydrophobicContact CB-CE 4.41Å; E20-M92 HydrophobicContact CB-SD 3.56Å; E20-M92 VanDerWaalsContact CB-SD 3.56Å
21	L	95.3	Very high	91.9	Very high	40 Å²	40	80.9 Å²	80.9	21%	0.209	39%	0.385	C	S	.	.	H	α-helix	trans	-60	-51.4	170.4	-78.6	170	0	0	0	112.2	L17 R23 N24 F25 T89 M92 V93	L17-L21 HydrophobicContact CD1-CD1 3.72Å; L17-L21 HydrophobicContact CD1-CG 3.8Å; L17-L21 HydrophobicContact CG-CD1 3.87Å; L17-L21 HydrophobicContact CG-CG 4.39Å; L17-L21 VanDerWaalsContact O-CB 3.29Å; L17-L21 WeakPolarHBondContact O-CB 3.47Å; L17-L21 WeakPolarHBondContact O-CG 3.06Å; L17-L21 PolarHBondContact O-N 2.9Å; L21-R23 VanDerWaalsContact C-N 3.29Å; L21-R23 PolarHBondContact O-N 3.01Å; L21-N24 PolarHBondContact O-N 3.48Å; L21-N24 VanDerWaalsContact O-N 3.17Å; L21-F25 HydrophobicContact CB-CD2 4.27Å; L21-F25 HydrophobicContact CB-CE2 4.15Å; L21-F25 HydrophobicContact CD2-CE2 3.88Å; L21-F25 HydrophobicContact CD2-CZ 4.36Å; L21-F25 WeakPolarHBondContact O-CB 3.48Å; L21-F25 WeakPolarHBondContact O-CD2 3.47Å; L21-F25 PolarHBondContact O-N 2.85Å; L21-T89 HydrophobicContact CD2-CG2 3.71Å; L21-M92 HydrophobicContact CD2-CE 3.54Å; L21-M92 HydrophobicContact CG-CE 3.69Å; L21-V93 HydrophobicContact CD2-CG2 3.82Å
22	Q	95.9	Very high	92.6	Very high	144 Å²	144	79.8 Å²	79.8	67%	0.673	38%	0.38	S	S	*	.	H	α-helix	trans	-59.9	-41.4	-179.2	-177.6	177.2	-5.5	0	0	111.5	P18 F19 Q26	P18-Q22 VanDerWaalsContact O-CB 3.25Å; P18-Q22 WeakPolarHBondContact O-CB 3.27Å; P18-Q22 PolarHBondContact O-N 3.01Å; F19-Q22 PolarHBondContact O-N 2.79Å; Q22-Q26 PolarHBondContact O-N 2.79Å
23	R	96.4	Very high	93.5	Very high	139 Å²	139	80.1 Å²	80.1	53%	0.525	38%	0.378	S	S	.	.	H	α-helix	trans	-60.2	-49.2	173.9	178.1	-173.9	171.3	-79.3	0	111.4	F19 E20 L21 Q26 L27	F19-R23 VanDerWaalsContact O-CB 3.3Å; F19-R23 WeakPolarHBondContact O-CB 3.45Å; F19-R23 PolarHBondContact O-N 3.17Å; E20-R23 PolarHBondContact O-N 2.96Å; L21-R23 VanDerWaalsContact C-N 3.29Å; L21-R23 PolarHBondContact O-N 3.01Å; R23-Q26 PolarHBondContact O-N 2.92Å; R23-L27 HydrophobicContact CG-CD1 4.2Å; R23-L27 WeakPolarHBondContact O-CG 3.46Å; R23-L27 PolarHBondContact O-N 2.84Å
24	N	96.9	Very high	94.6	Very high	14 Å²	14	85.9 Å²	85.9	8%	0.075	40%	0.399	C	S	.	.	H	α-helix	trans	-70.1	-37.6	-176.7	-68.3	2.8	0	0	0	112	E20 L21 Q26 L27 M28 L85 T89	E20-N24 WeakPolarHBondContact O-CB 3.2Å; E20-N24 PolarHBondContact O-N 3.48Å; E20-N24 PolarHBondContact O-OD1 2.7Å; L21-N24 PolarHBondContact O-N 3.48Å; L21-N24 VanDerWaalsContact O-N 3.17Å; N24-Q26 VanDerWaalsContact C-N 3.34Å; N24-Q26 PolarHBondContact O-N 3.31Å; N24-L27 PolarHBondContact O-N 3.16Å; N24-M28 WeakPolarHBondContact O-CB 3.36Å; N24-M28 PolarHBondContact O-N 3.39Å; N24-L85 HydrophobicContact CB-CD1 4Å; N24-T89 HydrophobicContact CB-CG2 4.31Å; N24-T89 WeakPolarHBondContact CB-OG1 3.48Å; N24-T89 PolarHBondContact ND2-OG1 3.23Å
25	F	97	Very high	95.3	Very high	126 Å²	126	84.3 Å²	84.3	55%	0.553	39%	0.392	S	S	*	.	H	α-helix	trans	-64.6	-35.4	172.1	-74.2	-56	0	0	0	112.7	L21 M28 R29	L21-F25 HydrophobicContact CB-CD2 4.27Å; L21-F25 HydrophobicContact CB-CE2 4.15Å; L21-F25 HydrophobicContact CD2-CE2 3.88Å; L21-F25 HydrophobicContact CD2-CZ 4.36Å; L21-F25 WeakPolarHBondContact O-CB 3.48Å; L21-F25 WeakPolarHBondContact O-CD2 3.47Å; L21-F25 PolarHBondContact O-N 2.85Å; F25-M28 PolarHBondContact O-N 3.35Å; F25-R29 VanDerWaalsContact O-CG 3.3Å; F25-R29 WeakPolarHBondContact O-CG 3.23Å; F25-R29 PolarHBondContact O-N 2.81Å; F25-R29 VanDerWaalsContact O-N 3.12Å
26	Q	97.6	Very high	95.9	Very high	86 Å²	86	81.6 Å²	81.6	40%	0.402	38%	0.379	S	S	.	.	H	α-helix	trans	-68.4	-43.9	173.5	-172.9	57.1	48.1	0	0	111.6	Q22 R23 N24 M28 R29 D30	Q22-Q26 PolarHBondContact O-N 2.79Å; R23-Q26 PolarHBondContact O-N 2.92Å; N24-Q26 VanDerWaalsContact C-N 3.34Å; N24-Q26 PolarHBondContact O-N 3.31Å; Q26-M28 VanDerWaalsContact C-N 3.28Å; Q26-M28 PolarHBondContact O-N 3Å; Q26-R29 PolarHBondContact O-N 3.21Å; Q26-D30 PolarHBondContact NE2-OD1 3.1Å; Q26-D30 VanDerWaalsContact O-CG 3.31Å; Q26-D30 PolarHBondContact O-N 2.91Å
27	L	97.7	Very high	96.5	Very high	62 Å²	62	81.4 Å²	81.4	33%	0.325	38%	0.378	S	S	.	.	H	α-helix	trans	-60.2	-37.4	174.9	-71.8	170.4	0	0	0	112.4	R23 N24 D30 L31 L85	R23-L27 HydrophobicContact CG-CD1 4.2Å; R23-L27 WeakPolarHBondContact O-CG 3.46Å; R23-L27 PolarHBondContact O-N 2.84Å; N24-L27 PolarHBondContact O-N 3.16Å; L27-D30 PolarHBondContact O-N 2.97Å; L27-L31 WeakPolarHBondContact O-CG 3.42Å; L27-L31 PolarHBondContact O-N 2.87Å; L27-L85 HydrophobicContact CB-CD2 3.67Å
28	M	98	Very high	96.8	Very high	39 Å²	39	81.8 Å²	81.8	19%	0.192	38%	0.38	C	S	.	.	H	α-helix	trans	-61.5	-47.7	174.3	-166	67.8	70.8	0	0	111.1	N24 F25 Q26 D30 L31 D32 K82 L85 A86	N24-M28 WeakPolarHBondContact O-CB 3.36Å; N24-M28 PolarHBondContact O-N 3.39Å; F25-M28 PolarHBondContact O-N 3.35Å; Q26-M28 VanDerWaalsContact C-N 3.28Å; Q26-M28 PolarHBondContact O-N 3Å; M28-D30 VanDerWaalsContact C-N 3.33Å; M28-D30 PolarHBondContact O-N 3.05Å; M28-L31 CarbonylContact O-C 3.45Å; M28-L31 WeakPolarHBondContact O-CB 3.22Å; M28-L31 PolarHBondContact O-N 2.61Å; M28-D32 PolarHBondContact O-N 3.13Å; M28-K82 HydrophobicContact SD-CB 3.75Å; M28-K82 HydrophobicContact SD-CD 4.38Å; M28-K82 HydrophobicContact SD-CG 3.7Å; M28-L85 HydrophobicContact CB-CD2 4.13Å; M28-L85 HydrophobicContact CE-CB 3.99Å; M28-L85 HydrophobicContact CE-CD2 3.91Å; M28-L85 HydrophobicContact CE-CG 3.83Å; M28-L85 HydrophobicContact SD-CD2 4.29Å; M28-A86 HydrophobicContact CE-CB 3.84Å
29	R	98.1	Very high	97.1	Very high	162 Å²	162	81.8 Å²	81.8	61%	0.611	37%	0.372	S	S	*	.	H	α-helix	trans	-63.8	-36.5	177.8	-69.5	172.4	68.8	-161.2	3	112.9	F25 Q26 D32 Q33	F25-R29 VanDerWaalsContact O-CG 3.3Å; F25-R29 WeakPolarHBondContact O-CG 3.23Å; F25-R29 PolarHBondContact O-N 2.81Å; F25-R29 VanDerWaalsContact O-N 3.12Å; Q26-R29 PolarHBondContact O-N 3.21Å; R29-D32 PolarHBondContact O-N 2.86Å; R29-Q33 PolarHBondContact O-N 3Å
30	D	98	Very high	97.3	Very high	61 Å²	61	78.2 Å²	78.2	33%	0.326	37%	0.367	S	S	.	.	H	α-helix	trans	-66.4	-39.1	175	-69	-1.9	0	0	0	111.3	Q26 L27 M28 R34	Q26-D30 PolarHBondContact NE2-OD1 3.1Å; Q26-D30 VanDerWaalsContact O-CG 3.31Å; Q26-D30 PolarHBondContact O-N 2.91Å; L27-D30 PolarHBondContact O-N 2.97Å; M28-D30 VanDerWaalsContact C-N 3.33Å; M28-D30 PolarHBondContact O-N 3.05Å; D30-R34 WeakPolarHBondContact O-CD 3.38Å; D30-R34 WeakPolarHBondContact O-CG 3.34Å; D30-R34 PolarHBondContact O-N 3.42Å
31	L	97.9	Very high	97.6	Very high	19 Å²	19	77.8 Å²	77.8	10%	0.099	37%	0.365	C	S	.	.	H	α-helix	trans	-69	-38.3	172.5	-71.6	167.9	0	0	0	111.7	L27 M28 T35 F78 D81 K82 L85	L27-L31 WeakPolarHBondContact O-CG 3.42Å; L27-L31 PolarHBondContact O-N 2.87Å; M28-L31 CarbonylContact O-C 3.45Å; M28-L31 WeakPolarHBondContact O-CB 3.22Å; M28-L31 PolarHBondContact O-N 2.61Å; L31-T35 WeakPolarHBondContact O-CB 3.5Å; L31-T35 PolarHBondContact O-N 3.37Å; L31-T35 PolarHBondContact O-OG1 3.18Å; L31-F78 HydrophobicContact CD2-CB 4.3Å; L31-F78 HydrophobicContact CD2-CD1 3.82Å; L31-F78 HydrophobicContact CD2-CG 4.27Å; L31-D81 HydrophobicContact CD1-CB 3.94Å; L31-D81 HydrophobicContact CD2-CB 4.05Å; L31-K82 VanDerWaalsContact C-CE 3.43Å; L31-K82 HydrophobicContact CB-CD 4.38Å; L31-K82 HydrophobicContact CB-CG 3.72Å; L31-K82 HydrophobicContact CD1-CG 3.97Å; L31-K82 HydrophobicContact CG-CG 4.46Å; L31-K82 WeakPolarHBondContact O-CE 3.48Å; L31-L85 HydrophobicContact CD1-CD2 4.04Å
32	D	98.2	Very high	97.7	Very high	66 Å²	66	76.1 Å²	76.1	35%	0.353	36%	0.356	S	S	.	.	H	α-helix	trans	-60	-52.9	175.8	-77.8	-38.4	0	0	0	111.5	M28 R29 R34 T35 E36 K82	M28-D32 PolarHBondContact O-N 3.13Å; R29-D32 PolarHBondContact O-N 2.86Å; D32-R34 PolarHBondContact O-N 2.96Å; D32-T35 WeakPolarHBondContact O-CA 3.33Å; D32-T35 WeakPolarHBondContact O-CB 3.36Å; D32-T35 PolarHBondContact O-N 2.96Å; D32-E36 PolarHBondContact O-N 3Å; D32-K82 WeakPolarHBondContact OD1-CD 3.44Å; D32-K82 WeakPolarHBondContact OD1-CE 3.35Å; D32-K82 IonicContact OD1-NZ 2.61Å; D32-K82 PolarHBondContact OD1-NZ 2.89Å
33	Q	98.2	Very high	97.8	Very high	114 Å²	114	74.1 Å²	74.1	53%	0.533	35%	0.351	S	S	.	.	H	α-helix	trans	-56.9	-48.6	178.6	-172	61	59.5	0	0	111.5	R29 T35 E36 D37	R29-Q33 PolarHBondContact O-N 3Å; Q33-T35 PolarHBondContact O-N 3.24Å; Q33-E36 PolarHBondContact O-N 3.42Å; Q33-E36 VanDerWaalsContact O-N 3.13Å; Q33-D37 PolarHBondContact NE2-OD1 3.29Å; Q33-D37 WeakPolarHBondContact O-CB 3.42Å; Q33-D37 PolarHBondContact O-N 3.35Å
34	R	98	Very high	97.9	Very high	123 Å²	123	72.5 Å²	72.5	46%	0.464	35%	0.347	S	S	.	.	H	α-helix	trans	-60.8	-27.5	177.3	-66.7	168.4	-164.2	-178.2	7.9	113.5	D30 D32 L38 F78	D30-R34 WeakPolarHBondContact O-CD 3.38Å; D30-R34 WeakPolarHBondContact O-CG 3.34Å; D30-R34 PolarHBondContact O-N 3.42Å; D32-R34 PolarHBondContact O-N 2.96Å; R34-L38 WeakPolarHBondContact O-CG 3.2Å; R34-L38 PolarHBondContact O-N 3.32Å; R34-F78 HydrophobicContact CB-CD2 3.8Å; R34-F78 HydrophobicContact CB-CE2 3.56Å; R34-F78 HydrophobicContact CB-CZ 4.18Å; R34-F78 HydrophobicContact CG-CE2 4.41Å
35	T	98.1	Very high	97.9	Very high	8 Å²	8	72.3 Å²	72.3	5%	0.049	35%	0.346	C	S	.	.	H	α-helix	trans	-75	-44.2	175.8	-52.5	0	0	0	0	110.9	L31 D32 Q33 L38 K39 K82	L31-T35 WeakPolarHBondContact O-CB 3.5Å; L31-T35 PolarHBondContact O-N 3.37Å; L31-T35 PolarHBondContact O-OG1 3.18Å; D32-T35 WeakPolarHBondContact O-CA 3.33Å; D32-T35 WeakPolarHBondContact O-CB 3.36Å; D32-T35 PolarHBondContact O-N 2.96Å; Q33-T35 PolarHBondContact O-N 3.24Å; T35-L38 PolarHBondContact O-N 3.02Å; T35-K39 WeakPolarHBondContact O-CG 3.47Å; T35-K39 PolarHBondContact O-N 3.24Å; T35-K82 WeakPolarHBondContact OG1-CE 3.37Å; T35-K82 PolarHBondContact OG1-NZ 3.38Å
36	E	98	Very high	97.9	Very high	92 Å²	92	67.8 Å²	67.8	43%	0.43	33%	0.332	S	S	.	.	H	α-helix	trans	-67.2	-37.8	176.2	-57.7	-43.6	120.1	0	0	112	D32 Q33 L38 K39 A40	D32-E36 PolarHBondContact O-N 3Å; Q33-E36 PolarHBondContact O-N 3.42Å; Q33-E36 VanDerWaalsContact O-N 3.13Å; E36-L38 VanDerWaalsContact C-N 3.32Å; E36-L38 PolarHBondContact O-N 2.64Å; E36-K39 PolarHBondContact O-N 2.94Å; E36-K39 IonicContact OE1-NZ 2.82Å; E36-K39 PolarHBondContact OE1-NZ 3.45Å; E36-K39 WeakPolarHBondContact OE2-CD 3.45Å; E36-K39 IonicContact OE2-NZ 2.74Å; E36-K39 PolarHBondContact OE2-NZ 3.31Å; E36-A40 WeakPolarHBondContact O-CB 3.37Å; E36-A40 PolarHBondContact O-N 2.95Å
37	D	98.2	Very high	97.9	Very high	87 Å²	87	67.7 Å²	67.7	47%	0.465	34%	0.337	S	S	.	.	H	α-helix	trans	-59.1	-42.9	173.4	-61.9	-21.2	0	0	0	111.2	Q33 E41	Q33-D37 PolarHBondContact NE2-OD1 3.29Å; Q33-D37 WeakPolarHBondContact O-CB 3.42Å; Q33-D37 PolarHBondContact O-N 3.35Å; D37-E41 PolarHBondContact O-N 2.92Å
38	L	97.7	Very high	97.8	Very high	32 Å²	32	69.2 Å²	69.2	17%	0.168	34%	0.343	C	S	.	.	H	α-helix	trans	-69.3	-39	175.4	-78.1	176.4	0	0	0	113	R34 T35 E36 E41 I42 A71 K74 C75 F78	R34-L38 WeakPolarHBondContact O-CG 3.2Å; R34-L38 PolarHBondContact O-N 3.32Å; T35-L38 PolarHBondContact O-N 3.02Å; E36-L38 VanDerWaalsContact C-N 3.32Å; E36-L38 PolarHBondContact O-N 2.64Å; L38-E41 PolarHBondContact O-N 3.48Å; L38-I42 WeakPolarHBondContact O-CB 3.36Å; L38-I42 WeakPolarHBondContact O-CD1 3.38Å; L38-I42 WeakPolarHBondContact O-CG1 3.3Å; L38-I42 PolarHBondContact O-N 3.48Å; L38-A71 HydrophobicContact CD2-CB 4.39Å; L38-K74 HydrophobicContact CD1-CB 3.53Å; L38-C75 HydrophobicContact CB-CB 4.44Å; L38-C75 HydrophobicContact CD1-CB 4.32Å; L38-F78 HydrophobicContact CD1-CD2 3.71Å; L38-F78 HydrophobicContact CD1-CE2 3.56Å; L38-F78 HydrophobicContact CG-CE2 4.49Å
39	K	98.1	Very high	97.7	Very high	84 Å²	84	70.6 Å²	70.6	37%	0.365	35%	0.347	S	S	.	.	H	α-helix	trans	-60.7	-45.2	174	-74.9	164.7	171.5	176	0	111.3	T35 E36 E41 I42 D43	T35-K39 WeakPolarHBondContact O-CG 3.47Å; T35-K39 PolarHBondContact O-N 3.24Å; E36-K39 PolarHBondContact O-N 2.94Å; E36-K39 IonicContact OE1-NZ 2.82Å; E36-K39 PolarHBondContact OE1-NZ 3.45Å; E36-K39 WeakPolarHBondContact OE2-CD 3.45Å; E36-K39 IonicContact OE2-NZ 2.74Å; E36-K39 PolarHBondContact OE2-NZ 3.31Å; K39-E41 VanDerWaalsContact C-N 3.31Å; K39-E41 PolarHBondContact O-N 2.94Å; K39-I42 WeakPolarHBondContact O-CB 3.22Å; K39-I42 PolarHBondContact O-N 2.96Å; K39-I42 VanDerWaalsContact O-N 3.16Å; K39-D43 PolarHBondContact O-N 3.37Å
40	A	98.3	Very high	97.5	Very high	62 Å²	62	69.9 Å²	69.9	51%	0.512	35%	0.352	S	S	.	.	H	α-helix	trans	-61.2	-39	178	0	0	0	0	0	112.2	E36 K44	E36-A40 WeakPolarHBondContact O-CB 3.37Å; E36-A40 PolarHBondContact O-N 2.95Å; A40-K44 WeakPolarHBondContact O-CB 3.5Å; A40-K44 PolarHBondContact O-N 3.37Å
41	E	97.8	Very high	97.4	Very high	74 Å²	74	71.6 Å²	71.6	35%	0.346	37%	0.369	S	S	.	.	H	α-helix	trans	-70.8	-38.2	174	-174.3	61.7	-169.9	0	0	112.2	D37 L38 K39 K44 L45	D37-E41 PolarHBondContact O-N 2.92Å; L38-E41 PolarHBondContact O-N 3.48Å; K39-E41 VanDerWaalsContact C-N 3.31Å; K39-E41 PolarHBondContact O-N 2.94Å; E41-K44 PolarHBondContact O-N 3.17Å; E41-K44 IonicContact OE1-NZ 2.71Å; E41-K44 PolarHBondContact OE1-NZ 3.43Å; E41-K44 WeakPolarHBondContact OE2-CD 3.16Å; E41-K44 IonicContact OE2-NZ 2.74Å; E41-K44 PolarHBondContact OE2-NZ 3.12Å; E41-L45 HydrophobicContact CG-CD1 3.97Å; E41-L45 HydrophobicContact CG-CG 4.36Å; E41-L45 WeakPolarHBondContact O-CB 3.41Å; E41-L45 WeakPolarHBondContact O-CG 3.47Å; E41-L45 PolarHBondContact O-N 3.35Å
42	I	98	Very high	97.3	Very high	4 Å²	4	71.8 Å²	71.8	2%	0.021	37%	0.372	C	S	.	.	H	α-helix	trans	-59.4	-49.4	172.5	-72.4	161.8	0	0	0	110.8	L38 K39 K44 L45 A46 A71 Y72 C75	L38-I42 WeakPolarHBondContact O-CB 3.36Å; L38-I42 WeakPolarHBondContact O-CD1 3.38Å; L38-I42 WeakPolarHBondContact O-CG1 3.3Å; L38-I42 PolarHBondContact O-N 3.48Å; K39-I42 WeakPolarHBondContact O-CB 3.22Å; K39-I42 PolarHBondContact O-N 2.96Å; K39-I42 VanDerWaalsContact O-N 3.16Å; I42-K44 VanDerWaalsContact C-N 3.32Å; I42-K44 PolarHBondContact O-N 2.91Å; I42-L45 PolarHBondContact O-N 2.81Å; I42-A46 WeakPolarHBondContact O-CB 3.17Å; I42-A46 PolarHBondContact O-N 3.03Å; I42-A71 HydrophobicContact CD1-CB 4.02Å; I42-A71 HydrophobicContact CG1-CB 3.52Å; I42-Y72 HydrophobicContact CD1-CD1 3.93Å; I42-Y72 HydrophobicContact CD1-CD2 4.31Å; I42-Y72 HydrophobicContact CD1-CE1 4.17Å; I42-Y72 HydrophobicContact CD1-CG 4.01Å; I42-Y72 HydrophobicContact CG2-CD2 4.27Å; I42-Y72 HydrophobicContact CG2-CE1 4.29Å; I42-Y72 HydrophobicContact CG2-CE2 3.6Å; I42-C75 HydrophobicContact CD1-CB 4.31Å
43	D	98.1	Very high	97	Very high	103 Å²	103	69.9 Å²	69.9	55%	0.551	37%	0.365	S	S	*	.	H	α-helix	trans	-63.5	-38.3	-179.7	-75	-21.5	0	0	0	111.5	K39 T47	K39-D43 PolarHBondContact O-N 3.37Å; D43-T47 VanDerWaalsContact O-CB 3.27Å; D43-T47 WeakPolarHBondContact O-CB 3.49Å; D43-T47 PolarHBondContact O-N 2.77Å; D43-T47 PolarHBondContact O-OG1 2.9Å
44	K	97.8	Very high	96.8	Very high	105 Å²	105	76.5 Å²	76.5	46%	0.457	39%	0.385	S	S	.	.	H	α-helix	trans	-61.8	-53.3	172.3	166.5	171	152.8	-74.5	0	111.9	A40 E41 I42 A46 T47 E48	A40-K44 WeakPolarHBondContact O-CB 3.5Å; A40-K44 PolarHBondContact O-N 3.37Å; E41-K44 PolarHBondContact O-N 3.17Å; E41-K44 IonicContact OE1-NZ 2.71Å; E41-K44 PolarHBondContact OE1-NZ 3.43Å; E41-K44 WeakPolarHBondContact OE2-CD 3.16Å; E41-K44 IonicContact OE2-NZ 2.74Å; E41-K44 PolarHBondContact OE2-NZ 3.12Å; I42-K44 VanDerWaalsContact C-N 3.32Å; I42-K44 PolarHBondContact O-N 2.91Å; K44-A46 VanDerWaalsContact C-N 3.32Å; K44-A46 PolarHBondContact O-N 3.28Å; K44-T47 PolarHBondContact O-N 3.4Å; K44-E48 PolarHBondContact O-N 3.38Å
45	L	96.9	Very high	96.6	Very high	9 Å²	9	75.5 Å²	75.5	5%	0.047	40%	0.397	C	S	.	.	H	α-helix	trans	-64.3	-36.5	180	-66.6	168.8	0	0	0	111.9	E41 I42 E48 Y49 L64 Q67 I68	E41-L45 HydrophobicContact CG-CD1 3.97Å; E41-L45 HydrophobicContact CG-CG 4.36Å; E41-L45 WeakPolarHBondContact O-CB 3.41Å; E41-L45 WeakPolarHBondContact O-CG 3.47Å; E41-L45 PolarHBondContact O-N 3.35Å; I42-L45 PolarHBondContact O-N 2.81Å; L45-E48 PolarHBondContact O-N 3.39Å; L45-Y49 WeakPolarHBondContact O-CB 3.31Å; L45-Y49 PolarHBondContact O-N 2.67Å; L45-L64 HydrophobicContact CB-CD1 3.88Å; L45-L64 HydrophobicContact CD2-CD1 3.52Å; L45-L64 HydrophobicContact CG-CD1 4.25Å; L45-Q67 HydrophobicContact CD1-CB 3.99Å; L45-I68 HydrophobicContact CB-CD1 4.09Å; L45-I68 HydrophobicContact CB-CG1 3.56Å; L45-I68 HydrophobicContact CD1-CG1 4.29Å
46	A	96.7	Very high	96.4	Very high	32 Å²	32	76.6 Å²	76.6	26%	0.264	40%	0.403	S	S	.	.	H	α-helix	trans	-67.2	-39.9	174.2	0	0	0	0	0	111.9	I42 K44 Y49 M50	I42-A46 WeakPolarHBondContact O-CB 3.17Å; I42-A46 PolarHBondContact O-N 3.03Å; K44-A46 VanDerWaalsContact C-N 3.32Å; K44-A46 PolarHBondContact O-N 3.28Å; A46-Y49 PolarHBondContact O-N 3.44Å; A46-M50 WeakPolarHBondContact O-CB 3.16Å; A46-M50 WeakPolarHBondContact O-CG 3.5Å; A46-M50 PolarHBondContact O-N 3.19Å
47	T	97.3	Very high	96.3	Very high	83 Å²	83	74.7 Å²	74.7	51%	0.509	40%	0.399	S	S	.	.	H	α-helix	trans	-65.8	-41.8	175	-59.7	0	0	0	0	111.5	D43 K44 M50 S51	D43-T47 VanDerWaalsContact O-CB 3.27Å; D43-T47 WeakPolarHBondContact O-CB 3.49Å; D43-T47 PolarHBondContact O-N 2.77Å; D43-T47 PolarHBondContact O-OG1 2.9Å; K44-T47 PolarHBondContact O-N 3.4Å; T47-M50 PolarHBondContact O-N 2.88Å; T47-S51 WeakPolarHBondContact O-CB 3.39Å; T47-S51 PolarHBondContact O-N 3.39Å; T47-S51 PolarHBondContact O-OG 2.95Å
48	E	95.9	Very high	96.2	Very high	94 Å²	94	75.5 Å²	75.5	44%	0.439	41%	0.412	S	S	.	.	H	α-helix	trans	-60.4	-46.8	172.7	-172.1	175.3	155.8	0	0	111	K44 L45 S51 S52 L64	K44-E48 PolarHBondContact O-N 3.38Å; L45-E48 PolarHBondContact O-N 3.39Å; E48-S51 PolarHBondContact O-N 2.96Å; E48-S51 PolarHBondContact O-OG 3.28Å; E48-S51 VanDerWaalsContact O-OG 3.08Å; E48-S52 WeakPolarHBondContact O-CB 3.23Å; E48-S52 PolarHBondContact O-N 3.45Å; E48-S52 PolarHBondContact O-OG 3.43Å; E48-L64 HydrophobicContact CB-CD2 4.38Å; E48-L64 HydrophobicContact CG-CD2 4.17Å
49	Y	95.6	Very high	96.1	Very high	69 Å²	69	81.8 Å²	81.8	27%	0.271	44%	0.44	S	S	.	.	H	α-helix	trans	-61.2	-50.7	176.3	-176	-95.6	0	0	0	111.7	L45 A46 S51 S52 A53 K61 L64 L65	L45-Y49 WeakPolarHBondContact O-CB 3.31Å; L45-Y49 PolarHBondContact O-N 2.67Å; A46-Y49 PolarHBondContact O-N 3.44Å; Y49-S51 VanDerWaalsContact C-N 3.3Å; Y49-S51 PolarHBondContact O-N 3.16Å; Y49-S52 PolarHBondContact O-N 3.09Å; Y49-A53 HydrophobicContact CD1-CB 4.44Å; Y49-A53 HydrophobicContact CE1-CB 4.23Å; Y49-A53 WeakPolarHBondContact O-CA 3.44Å; Y49-A53 WeakPolarHBondContact O-CB 3.38Å; Y49-A53 PolarHBondContact O-N 2.68Å; Y49-K61 HydrophobicContact CE2-CB 4.2Å; Y49-K61 HydrophobicContact CE2-CD 4.49Å; Y49-K61 HydrophobicContact CE2-CG 3.92Å; Y49-L64 HydrophobicContact CD2-CD2 4.09Å; Y49-L64 HydrophobicContact CD2-CG 4.29Å; Y49-L64 HydrophobicContact CG-CD2 4.43Å; Y49-L65 HydrophobicContact CD2-CD2 4.21Å; Y49-L65 HydrophobicContact CD2-CG 4.25Å; Y49-L65 HydrophobicContact CE1-CD2 4.36Å; Y49-L65 HydrophobicContact CE2-CD1 4.02Å; Y49-L65 HydrophobicContact CE2-CD2 3.85Å; Y49-L65 HydrophobicContact CE2-CG 3.74Å
50	M	95.3	Very high	96	Very high	146 Å²	146	82.6 Å²	82.6	72%	0.719	45%	0.445	S	S	*	.	H	α-helix	trans	-60.3	-38.2	-179.5	-74.6	-164.8	-59.3	0	0	113.1	A46 T47	A46-M50 WeakPolarHBondContact O-CB 3.16Å; A46-M50 WeakPolarHBondContact O-CG 3.5Å; A46-M50 PolarHBondContact O-N 3.19Å; T47-M50 PolarHBondContact O-N 2.88Å
51	S	95.9	Very high	95.8	Very high	97 Å²	97	82.3 Å²	82.3	68%	0.678	43%	0.432	S	S	*	.	H	α-helix	trans	-77.8	-30.5	-178.9	55.9	0	0	0	0	113.6	T47 E48 Y49	T47-S51 WeakPolarHBondContact O-CB 3.39Å; T47-S51 PolarHBondContact O-N 3.39Å; T47-S51 PolarHBondContact O-OG 2.95Å; E48-S51 PolarHBondContact O-N 2.96Å; E48-S51 PolarHBondContact O-OG 3.28Å; E48-S51 VanDerWaalsContact O-OG 3.08Å; Y49-S51 VanDerWaalsContact C-N 3.3Å; Y49-S51 PolarHBondContact O-N 3.16Å
52	S	95	Very high	95.8	Very high	23 Å²	23	84.6 Å²	84.6	16%	0.161	45%	0.447	C	S	.	.	H	α-helix	trans	-110.8	-6.5	-174.1	68.8	0	0	0	0	115.6	E48 Y49 R54 S55 L56	E48-S52 WeakPolarHBondContact O-CB 3.23Å; E48-S52 PolarHBondContact O-N 3.45Å; E48-S52 PolarHBondContact O-OG 3.43Å; Y49-S52 PolarHBondContact O-N 3.09Å; S52-R54 PolarHBondContact O-N 3.25Å; S52-S55 PolarHBondContact O-N 2.95Å; S52-S55 PolarHBondContact O-OG 2.94Å; S52-L56 WeakPolarHBondContact O-CG 3.47Å; S52-L56 PolarHBondContact O-N 2.9Å; S52-L56 WeakPolarHBondContact OG-CD1 3.4Å; S52-L56 WeakPolarHBondContact OG-CG 3.25Å
53	A	91.8	Very high	95.7	Very high	26 Å²	26	87 Å²	87	22%	0.215	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-16.3	-174.7	0	0	0	0	0	116	Y49 K61	Y49-A53 HydrophobicContact CD1-CB 4.44Å; Y49-A53 HydrophobicContact CE1-CB 4.23Å; Y49-A53 WeakPolarHBondContact O-CA 3.44Å; Y49-A53 WeakPolarHBondContact O-CB 3.38Å; Y49-A53 PolarHBondContact O-N 2.68Å; A53-K61 WeakPolarHBondContact O-CE 3.12Å; A53-K61 PolarHBondContact O-NZ 2.95Å
54	R	93.8	Very high	95.6	Very high	253 Å²	253	82.5 Å²	82.5	96%	0.955	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-27.6	174	-63.2	-170.9	-175.6	-160.8	2.4	114.1	S52	S52-R54 PolarHBondContact O-N 3.25Å
55	S	95.2	Very high	95.5	Very high	103 Å²	103	81.1 Å²	81.1	72%	0.72	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-28.2	-177.6	50.9	0	0	0	0	113.7	S52	S52-S55 PolarHBondContact O-N 2.95Å; S52-S55 PolarHBondContact O-OG 2.94Å
56	L	93.7	Very high	95.5	Very high	31 Å²	31	86.2 Å²	86.2	16%	0.162	46%	0.462	C	S	.	.	S	Bend	trans	-58.8	146.3	174.6	-67.1	173.7	0	0	0	111.7	S52 E60 K61 L64	S52-L56 WeakPolarHBondContact O-CG 3.47Å; S52-L56 PolarHBondContact O-N 2.9Å; S52-L56 WeakPolarHBondContact OG-CD1 3.4Å; S52-L56 WeakPolarHBondContact OG-CG 3.25Å; L56-E60 HydrophobicContact CB-CB 4.31Å; L56-E60 HydrophobicContact CD2-CB 3.82Å; L56-K61 HydrophobicContact CB-CD 4.35Å; L56-K61 HydrophobicContact CB-CG 3.75Å; L56-K61 HydrophobicContact CD1-CG 3.9Å; L56-K61 WeakPolarHBondContact O-CE 3.38Å; L56-K61 PolarHBondContact O-NZ 3.42Å; L56-L64 HydrophobicContact CD1-CD2 4.21Å
57	S	95.8	Very high	95.5	Very high	51 Å²	51	89.5 Å²	89.5	36%	0.357	47%	0.472	S	S	.	.			trans	-70.4	173	165.6	70.5	0	0	0	0	112.2	E59 E60 K61	S57-E59 VanDerWaalsContact C-N 3.29Å; S57-E59 PolarHBondContact O-N 3.04Å; S57-E59 PolarHBondContact OG-N 2.95Å; S57-E60 WeakPolarHBondContact CA-OE2 3.18Å; S57-E60 WeakPolarHBondContact CB-OE2 3.23Å; S57-E60 PolarHBondContact N-OE2 3.48Å; S57-E60 WeakPolarHBondContact OG-CG 3.32Å; S57-E60 PolarHBondContact OG-N 3.34Å; S57-E60 PolarHBondContact OG-OE2 3Å; S57-K61 WeakPolarHBondContact O-CB 3.36Å; S57-K61 WeakPolarHBondContact O-CE 3.25Å; S57-K61 WeakPolarHBondContact O-CG 3.5Å; S57-K61 PolarHBondContact O-N 3.49Å; S57-K61 VanDerWaalsContact O-N 3.15Å
58	S	95.1	Very high	95.6	Very high	104 Å²	104	86.6 Å²	86.6	73%	0.727	45%	0.453	S	S	*	.	H	α-helix	trans	-64.4	-33.5	174.6	-57	0	0	0	0	112.9	L62	S58-L62 WeakPolarHBondContact O-CB 3.49Å; S58-L62 PolarHBondContact O-N 2.88Å; S58-L62 VanDerWaalsContact O-N 3.1Å
59	E	96	Very high	95.7	Very high	164 Å²	164	89.2 Å²	89.2	77%	0.766	47%	0.465	S	S	*	.	H	α-helix	trans	-74	-45.1	-178.2	-64.2	-177.8	-176.9	0	0	111.1	S57 L62 A63	S57-E59 VanDerWaalsContact C-N 3.29Å; S57-E59 PolarHBondContact O-N 3.04Å; S57-E59 PolarHBondContact OG-N 2.95Å; E59-L62 PolarHBondContact O-N 2.98Å; E59-A63 PolarHBondContact O-N 3.38Å
60	E	95.3	Very high	95.8	Very high	102 Å²	102	90.2 Å²	90.2	48%	0.477	47%	0.472	S	S	.	.	H	α-helix	trans	-65.8	-39.6	177.1	-61.4	157.3	117.6	0	0	111.7	L56 S57 L62 A63 L64	L56-E60 HydrophobicContact CB-CB 4.31Å; L56-E60 HydrophobicContact CD2-CB 3.82Å; S57-E60 WeakPolarHBondContact CA-OE2 3.18Å; S57-E60 WeakPolarHBondContact CB-OE2 3.23Å; S57-E60 PolarHBondContact N-OE2 3.48Å; S57-E60 WeakPolarHBondContact OG-CG 3.32Å; S57-E60 PolarHBondContact OG-N 3.34Å; S57-E60 PolarHBondContact OG-OE2 3Å; E60-L62 VanDerWaalsContact C-N 3.33Å; E60-L62 PolarHBondContact O-N 3.3Å; E60-A63 PolarHBondContact O-N 3.45Å; E60-L64 WeakPolarHBondContact O-CB 3.45Å; E60-L64 PolarHBondContact O-N 3.29Å
61	K	95.7	Very high	95.9	Very high	55 Å²	55	83.6 Å²	83.6	24%	0.239	44%	0.441	C	S	.	.	H	α-helix	trans	-59.9	-42.9	172	-80.3	176.7	-111.8	-160.6	0	112	Y49 A53 L56 S57 L65	Y49-K61 HydrophobicContact CE2-CB 4.2Å; Y49-K61 HydrophobicContact CE2-CD 4.49Å; Y49-K61 HydrophobicContact CE2-CG 3.92Å; A53-K61 WeakPolarHBondContact O-CE 3.12Å; A53-K61 PolarHBondContact O-NZ 2.95Å; L56-K61 HydrophobicContact CB-CD 4.35Å; L56-K61 HydrophobicContact CB-CG 3.75Å; L56-K61 HydrophobicContact CD1-CG 3.9Å; L56-K61 WeakPolarHBondContact O-CE 3.38Å; L56-K61 PolarHBondContact O-NZ 3.42Å; S57-K61 WeakPolarHBondContact O-CB 3.36Å; S57-K61 WeakPolarHBondContact O-CE 3.25Å; S57-K61 WeakPolarHBondContact O-CG 3.5Å; S57-K61 PolarHBondContact O-N 3.49Å; S57-K61 VanDerWaalsContact O-N 3.15Å; K61-L65 WeakPolarHBondContact O-CB 3.36Å; K61-L65 VanDerWaalsContact O-CG 3.23Å; K61-L65 WeakPolarHBondContact O-CG 3.29Å; K61-L65 PolarHBondContact O-N 2.95Å
62	L	96.1	Very high	96	Very high	123 Å²	123	84.9 Å²	84.9	64%	0.644	43%	0.432	S	S	*	.	H	α-helix	trans	-66.4	-39	178.6	-176	62	0	0	0	111.6	S58 E59 E60 K66	S58-L62 WeakPolarHBondContact O-CB 3.49Å; S58-L62 PolarHBondContact O-N 2.88Å; S58-L62 VanDerWaalsContact O-N 3.1Å; E59-L62 PolarHBondContact O-N 2.98Å; E60-L62 VanDerWaalsContact C-N 3.33Å; E60-L62 PolarHBondContact O-N 3.3Å; L62-K66 VanDerWaalsContact O-CB 3.27Å; L62-K66 WeakPolarHBondContact O-CB 3.39Å; L62-K66 PolarHBondContact O-N 3.12Å
63	A	96.1	Very high	96.2	Very high	54 Å²	54	85.2 Å²	85.2	45%	0.446	44%	0.439	S	S	.	.	H	α-helix	trans	-63	-48.2	175.2	0	0	0	0	0	112.2	E59 E60 K66 Q67	E59-A63 PolarHBondContact O-N 3.38Å; E60-A63 PolarHBondContact O-N 3.45Å; A63-K66 WeakPolarHBondContact O-CB 3.3Å; A63-K66 PolarHBondContact O-N 2.9Å; A63-Q67 WeakPolarHBondContact O-CG 3.36Å; A63-Q67 PolarHBondContact O-N 3.16Å
64	L	95.7	Very high	96.4	Very high	8 Å²	8	88.7 Å²	88.7	4%	0.042	45%	0.449	C	S	.	.	H	α-helix	trans	-66.8	-41.6	-179.4	-175.7	50.6	0	0	0	112	L45 E48 Y49 L56 E60 K66 Q67 I68	L45-L64 HydrophobicContact CB-CD1 3.88Å; L45-L64 HydrophobicContact CD2-CD1 3.52Å; L45-L64 HydrophobicContact CG-CD1 4.25Å; E48-L64 HydrophobicContact CB-CD2 4.38Å; E48-L64 HydrophobicContact CG-CD2 4.17Å; Y49-L64 HydrophobicContact CD2-CD2 4.09Å; Y49-L64 HydrophobicContact CD2-CG 4.29Å; Y49-L64 HydrophobicContact CG-CD2 4.43Å; L56-L64 HydrophobicContact CD1-CD2 4.21Å; E60-L64 WeakPolarHBondContact O-CB 3.45Å; E60-L64 PolarHBondContact O-N 3.29Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 2.84Å; L64-Q67 PolarHBondContact O-N 2.86Å; L64-I68 HydrophobicContact CG-CD1 4.4Å; L64-I68 WeakPolarHBondContact O-CG1 3.43Å; L64-I68 PolarHBondContact O-N 3.17Å
65	L	96.1	Very high	96.6	Very high	76 Å²	76	77.7 Å²	77.7	40%	0.398	41%	0.411	S	S	.	.	H	α-helix	trans	-63.1	-35.7	172.9	-71.3	171.9	0	0	0	112.5	Y49 K61 I68 Q69	Y49-L65 HydrophobicContact CD2-CD2 4.21Å; Y49-L65 HydrophobicContact CD2-CG 4.25Å; Y49-L65 HydrophobicContact CE1-CD2 4.36Å; Y49-L65 HydrophobicContact CE2-CD1 4.02Å; Y49-L65 HydrophobicContact CE2-CD2 3.85Å; Y49-L65 HydrophobicContact CE2-CG 3.74Å; K61-L65 WeakPolarHBondContact O-CB 3.36Å; K61-L65 VanDerWaalsContact O-CG 3.23Å; K61-L65 WeakPolarHBondContact O-CG 3.29Å; K61-L65 PolarHBondContact O-N 2.95Å; L65-I68 PolarHBondContact O-N 2.92Å; L65-Q69 WeakPolarHBondContact O-CB 3.29Å; L65-Q69 PolarHBondContact O-N 3.36Å
66	K	97.6	Very high	96.8	Very high	117 Å²	117	78.8 Å²	78.8	51%	0.509	40%	0.403	S	S	.	.	H	α-helix	trans	-66.9	-40.5	175.2	-175	174.1	-177.2	-73.2	0	112	L62 A63 L64 Q69 E70	L62-K66 VanDerWaalsContact O-CB 3.27Å; L62-K66 WeakPolarHBondContact O-CB 3.39Å; L62-K66 PolarHBondContact O-N 3.12Å; A63-K66 WeakPolarHBondContact O-CB 3.3Å; A63-K66 PolarHBondContact O-N 2.9Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 2.84Å; K66-Q69 PolarHBondContact O-N 3.41Å; K66-E70 IonicContact NZ-OE1 3.44Å; K66-E70 PolarHBondContact NZ-OE1 3.37Å; K66-E70 WeakPolarHBondContact O-CG 3.31Å; K66-E70 PolarHBondContact O-N 3.48Å
67	Q	97.5	Very high	97	Very high	101 Å²	101	82.7 Å²	82.7	47%	0.472	42%	0.42	S	S	.	.	H	α-helix	trans	-61.9	-46	174	-71.6	172.1	-29	0	0	111.7	L45 A63 L64 Q69 E70 A71	L45-Q67 HydrophobicContact CD1-CB 3.99Å; A63-Q67 WeakPolarHBondContact O-CG 3.36Å; A63-Q67 PolarHBondContact O-N 3.16Å; L64-Q67 PolarHBondContact O-N 2.86Å; Q67-Q69 VanDerWaalsContact C-N 3.33Å; Q67-Q69 PolarHBondContact O-N 3.36Å; Q67-E70 PolarHBondContact O-N 3.1Å; Q67-A71 WeakPolarHBondContact O-CB 3.46Å; Q67-A71 PolarHBondContact O-N 2.84Å
68	I	97.4	Very high	97.1	Very high	22 Å²	22	82.4 Å²	82.4	11%	0.113	41%	0.412	C	S	.	.	H	α-helix	trans	-59	-44.8	174.9	-67.2	164.8	0	0	0	110.6	L45 L64 L65 A71 Y72	L45-I68 HydrophobicContact CB-CD1 4.09Å; L45-I68 HydrophobicContact CB-CG1 3.56Å; L45-I68 HydrophobicContact CD1-CG1 4.29Å; L64-I68 HydrophobicContact CG-CD1 4.4Å; L64-I68 WeakPolarHBondContact O-CG1 3.43Å; L64-I68 PolarHBondContact O-N 3.17Å; L65-I68 PolarHBondContact O-N 2.92Å; I68-A71 PolarHBondContact O-N 3.17Å; I68-Y72 HydrophobicContact CG2-CD2 3.72Å; I68-Y72 HydrophobicContact CG2-CE2 3.76Å; I68-Y72 WeakPolarHBondContact O-CD2 3.36Å; I68-Y72 PolarHBondContact O-N 2.93Å
69	Q	98	Very high	97.2	Very high	148 Å²	148	78.7 Å²	78.7	69%	0.692	39%	0.391	S	S	*	.	H	α-helix	trans	-63.4	-42.8	178	-174	-179.4	0.3	0	0	112.6	L65 K66 Q67 Y72 G73	L65-Q69 WeakPolarHBondContact O-CB 3.29Å; L65-Q69 PolarHBondContact O-N 3.36Å; K66-Q69 PolarHBondContact O-N 3.41Å; Q67-Q69 VanDerWaalsContact C-N 3.33Å; Q67-Q69 PolarHBondContact O-N 3.36Å; Q69-Y72 PolarHBondContact O-N 3.44Å; Q69-G73 PolarHBondContact O-N 2.95Å
70	E	98.2	Very high	97.2	Very high	90 Å²	90	74 Å²	74	42%	0.421	37%	0.371	S	S	.	.	H	α-helix	trans	-66.7	-36.4	177.2	-75.9	177.7	-157.1	0	0	112.5	K66 Q67 G73 K74	K66-E70 IonicContact NZ-OE1 3.44Å; K66-E70 PolarHBondContact NZ-OE1 3.37Å; K66-E70 WeakPolarHBondContact O-CG 3.31Å; K66-E70 PolarHBondContact O-N 3.48Å; Q67-E70 PolarHBondContact O-N 3.1Å; E70-G73 PolarHBondContact O-N 2.92Å; E70-K74 WeakPolarHBondContact O-CG 3.49Å; E70-K74 PolarHBondContact O-N 3.48Å; E70-K74 VanDerWaalsContact O-N 3.16Å
71	A	97.8	Very high	97.4	Very high	8 Å²	8	72.6 Å²	72.6	7%	0.066	37%	0.367	C	S	.	.	H	α-helix	trans	-68.8	-43.1	175.3	0	0	0	0	0	111.8	L38 I42 Q67 I68 G73 K74 C75	L38-A71 HydrophobicContact CD2-CB 4.39Å; I42-A71 HydrophobicContact CD1-CB 4.02Å; I42-A71 HydrophobicContact CG1-CB 3.52Å; Q67-A71 WeakPolarHBondContact O-CB 3.46Å; Q67-A71 PolarHBondContact O-N 2.84Å; I68-A71 PolarHBondContact O-N 3.17Å; A71-G73 VanDerWaalsContact C-N 3.31Å; A71-G73 PolarHBondContact O-N 2.89Å; A71-K74 PolarHBondContact O-N 3.32Å; A71-C75 VanDerWaalsContact O-CB 3.31Å; A71-C75 WeakPolarHBondContact O-CB 3.28Å; A71-C75 PolarHBondContact O-N 3.33Å
72	Y	98.1	Very high	97.5	Very high	123 Å²	123	71.4 Å²	71.4	48%	0.482	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-37.3	171.9	-90.5	-64.1	0	0	0	112.6	I42 I68 Q69 C75 K76	I42-Y72 HydrophobicContact CD1-CD1 3.93Å; I42-Y72 HydrophobicContact CD1-CD2 4.31Å; I42-Y72 HydrophobicContact CD1-CE1 4.17Å; I42-Y72 HydrophobicContact CD1-CG 4.01Å; I42-Y72 HydrophobicContact CG2-CD2 4.27Å; I42-Y72 HydrophobicContact CG2-CE1 4.29Å; I42-Y72 HydrophobicContact CG2-CE2 3.6Å; I68-Y72 HydrophobicContact CG2-CD2 3.72Å; I68-Y72 HydrophobicContact CG2-CE2 3.76Å; I68-Y72 WeakPolarHBondContact O-CD2 3.36Å; I68-Y72 PolarHBondContact O-N 2.93Å; Q69-Y72 PolarHBondContact O-N 3.44Å; Y72-C75 PolarHBondContact O-N 2.89Å; Y72-K76 PolarHBondContact O-N 3.11Å
73	G	98.2	Very high	97.5	Very high	31 Å²	31	69.8 Å²	69.8	32%	0.32	36%	0.356	S	S	.	.	H	α-helix	trans	-56.9	-55	174.1	0	0	0	0	0	111.9	Q69 E70 A71 C75 K76 E77	Q69-G73 PolarHBondContact O-N 2.95Å; E70-G73 PolarHBondContact O-N 2.92Å; A71-G73 VanDerWaalsContact C-N 3.31Å; A71-G73 PolarHBondContact O-N 2.89Å; G73-C75 VanDerWaalsContact C-N 3.32Å; G73-C75 PolarHBondContact O-N 3.14Å; G73-K76 WeakPolarHBondContact O-CB 3.16Å; G73-K76 PolarHBondContact O-N 2.98Å; G73-K76 VanDerWaalsContact O-N 3.09Å; G73-E77 WeakPolarHBondContact O-CG 3.5Å; G73-E77 PolarHBondContact O-N 2.67Å
74	K	98.1	Very high	97.6	Very high	98 Å²	98	72.1 Å²	72.1	43%	0.426	36%	0.358	S	S	.	.	H	α-helix	trans	-63.2	-35.9	177.3	-66.2	165.8	-176.2	165.5	0	112.9	L38 E70 A71 K76 E77 F78	L38-K74 HydrophobicContact CD1-CB 3.53Å; E70-K74 WeakPolarHBondContact O-CG 3.49Å; E70-K74 PolarHBondContact O-N 3.48Å; E70-K74 VanDerWaalsContact O-N 3.16Å; A71-K74 PolarHBondContact O-N 3.32Å; K74-K76 VanDerWaalsContact C-N 3.28Å; K74-K76 PolarHBondContact O-N 3.33Å; K74-E77 PolarHBondContact O-N 2.83Å; K74-F78 PolarHBondContact O-N 3Å
75	C	97.7	Very high	97.6	Very high	22 Å²	22	72.6 Å²	72.6	15%	0.149	36%	0.36	C	S	.	.	H	α-helix	trans	-65.1	-33.2	175.3	-173.8	0	0	0	0	111.8	L38 I42 A71 Y72 G73 G79	L38-C75 HydrophobicContact CB-CB 4.44Å; L38-C75 HydrophobicContact CD1-CB 4.32Å; I42-C75 HydrophobicContact CD1-CB 4.31Å; A71-C75 VanDerWaalsContact O-CB 3.31Å; A71-C75 WeakPolarHBondContact O-CB 3.28Å; A71-C75 PolarHBondContact O-N 3.33Å; Y72-C75 PolarHBondContact O-N 2.89Å; G73-C75 VanDerWaalsContact C-N 3.32Å; G73-C75 PolarHBondContact O-N 3.14Å; C75-G79 PolarHBondContact O-N 3.35Å
76	K	97.7	Very high	97.7	Very high	127 Å²	127	71.1 Å²	71.1	55%	0.552	36%	0.36	S	S	*	.	H	α-helix	trans	-71.3	-45.7	171.1	-169.5	-157	175.9	-59.4	0	111.1	Y72 G73 K74 F78 G79 D80	Y72-K76 PolarHBondContact O-N 3.11Å; G73-K76 WeakPolarHBondContact O-CB 3.16Å; G73-K76 PolarHBondContact O-N 2.98Å; G73-K76 VanDerWaalsContact O-N 3.09Å; K74-K76 VanDerWaalsContact C-N 3.28Å; K74-K76 PolarHBondContact O-N 3.33Å; K76-F78 PolarHBondContact O-N 2.59Å; K76-G79 CarbonylContact O-C 3.53Å; K76-G79 VanDerWaalsContact O-CA 3.32Å; K76-G79 WeakPolarHBondContact O-CA 3.03Å; K76-G79 PolarHBondContact O-N 2.73Å; K76-D80 IonicContact NZ-OD1 2.93Å; K76-D80 PolarHBondContact NZ-OD1 2.86Å; K76-D80 IonicContact NZ-OD2 3.56Å; K76-D80 PolarHBondContact NZ-OD2 3.38Å; K76-D80 PolarHBondContact O-N 2.96Å
77	E	98.2	Very high	97.6	Very high	112 Å²	112	70.7 Å²	70.7	52%	0.523	36%	0.36	S	S	.	.	H	α-helix	trans	-55.7	-49.8	178.4	-70.6	165.2	177.8	0	0	111.3	G73 K74 G79 D80 D81	G73-E77 WeakPolarHBondContact O-CG 3.5Å; G73-E77 PolarHBondContact O-N 2.67Å; K74-E77 PolarHBondContact O-N 2.83Å; E77-G79 PolarHBondContact O-N 3.49Å; E77-D80 PolarHBondContact O-N 3.46Å; E77-D80 VanDerWaalsContact O-N 3.16Å; E77-D81 PolarHBondContact O-N 2.93Å
78	F	97.8	Very high	97.4	Very high	45 Å²	45	71.1 Å²	71.1	20%	0.197	36%	0.362	C	S	.	.	H	α-helix	trans	-64.6	-26.9	173.7	-62.4	-30.6	0	0	0	113.5	L31 R34 L38 K74 K76 K82	L31-F78 HydrophobicContact CD2-CB 4.3Å; L31-F78 HydrophobicContact CD2-CD1 3.82Å; L31-F78 HydrophobicContact CD2-CG 4.27Å; R34-F78 HydrophobicContact CB-CD2 3.8Å; R34-F78 HydrophobicContact CB-CE2 3.56Å; R34-F78 HydrophobicContact CB-CZ 4.18Å; R34-F78 HydrophobicContact CG-CE2 4.41Å; L38-F78 HydrophobicContact CD1-CD2 3.71Å; L38-F78 HydrophobicContact CD1-CE2 3.56Å; L38-F78 HydrophobicContact CG-CE2 4.49Å; K74-F78 PolarHBondContact O-N 3Å; K76-F78 PolarHBondContact O-N 2.59Å; F78-K82 VanDerWaalsContact O-CG 3.25Å; F78-K82 WeakPolarHBondContact O-CG 3.29Å; F78-K82 PolarHBondContact O-N 2.81Å; F78-K82 VanDerWaalsContact O-N 3.12Å
79	G	97	Very high	97.3	Very high	26 Å²	26	70.7 Å²	70.7	27%	0.268	36%	0.361	S	S	.	.	H	α-helix	trans	-67.3	-46	171	0	0	0	0	0	112.5	C75 K76 E77 D81 K82 V83	C75-G79 PolarHBondContact O-N 3.35Å; K76-G79 CarbonylContact O-C 3.53Å; K76-G79 VanDerWaalsContact O-CA 3.32Å; K76-G79 WeakPolarHBondContact O-CA 3.03Å; K76-G79 PolarHBondContact O-N 2.73Å; E77-G79 PolarHBondContact O-N 3.49Å; G79-D81 VanDerWaalsContact C-N 3.34Å; G79-K82 PolarHBondContact O-N 3.17Å; G79-V83 WeakPolarHBondContact O-CG2 3.49Å; G79-V83 PolarHBondContact O-N 3.21Å
80	D	97.8	Very high	97.1	Very high	67 Å²	67	68.1 Å²	68.1	36%	0.358	35%	0.346	S	S	.	.	H	α-helix	trans	-64.3	-38.4	176.3	-57.7	-36.7	0	0	0	111.3	K76 E77 V83 Q84	K76-D80 IonicContact NZ-OD1 2.93Å; K76-D80 PolarHBondContact NZ-OD1 2.86Å; K76-D80 IonicContact NZ-OD2 3.56Å; K76-D80 PolarHBondContact NZ-OD2 3.38Å; K76-D80 PolarHBondContact O-N 2.96Å; E77-D80 PolarHBondContact O-N 3.46Å; E77-D80 VanDerWaalsContact O-N 3.16Å; D80-V83 PolarHBondContact O-N 2.83Å; D80-Q84 WeakPolarHBondContact O-CG 3.32Å; D80-Q84 PolarHBondContact O-N 3.04Å; D80-Q84 VanDerWaalsContact O-N 3.11Å; D80-Q84 PolarHBondContact O-NE2 3.29Å; D80-Q84 VanDerWaalsContact O-NE2 3.14Å
81	D	97.9	Very high	96.8	Very high	71 Å²	71	69.1 Å²	69.1	38%	0.38	35%	0.351	S	S	.	.	H	α-helix	trans	-62.6	-45	175.2	-75.9	-19.4	0	0	0	112	L31 E77 G79 V83 Q84 L85	L31-D81 HydrophobicContact CD1-CB 3.94Å; L31-D81 HydrophobicContact CD2-CB 4.05Å; E77-D81 PolarHBondContact O-N 2.93Å; G79-D81 VanDerWaalsContact C-N 3.34Å; D81-V83 PolarHBondContact O-N 3.34Å; D81-Q84 PolarHBondContact O-N 3.33Å; D81-L85 WeakPolarHBondContact O-CB 3.28Å; D81-L85 PolarHBondContact O-N 3.19Å
82	K	97.8	Very high	96.5	Very high	31 Å²	31	69.8 Å²	69.8	14%	0.135	35%	0.353	C	S	.	.	H	α-helix	trans	-61.3	-43.1	176.7	-73.9	175.4	-158.7	-178.7	0	112.1	M28 L31 D32 T35 F78 G79 Q84 L85 A86	M28-K82 HydrophobicContact SD-CB 3.75Å; M28-K82 HydrophobicContact SD-CD 4.38Å; M28-K82 HydrophobicContact SD-CG 3.7Å; L31-K82 VanDerWaalsContact C-CE 3.43Å; L31-K82 HydrophobicContact CB-CD 4.38Å; L31-K82 HydrophobicContact CB-CG 3.72Å; L31-K82 HydrophobicContact CD1-CG 3.97Å; L31-K82 HydrophobicContact CG-CG 4.46Å; L31-K82 WeakPolarHBondContact O-CE 3.48Å; D32-K82 WeakPolarHBondContact OD1-CD 3.44Å; D32-K82 WeakPolarHBondContact OD1-CE 3.35Å; D32-K82 IonicContact OD1-NZ 2.61Å; D32-K82 PolarHBondContact OD1-NZ 2.89Å; T35-K82 WeakPolarHBondContact OG1-CE 3.37Å; T35-K82 PolarHBondContact OG1-NZ 3.38Å; F78-K82 VanDerWaalsContact O-CG 3.25Å; F78-K82 WeakPolarHBondContact O-CG 3.29Å; F78-K82 PolarHBondContact O-N 2.81Å; F78-K82 VanDerWaalsContact O-N 3.12Å; G79-K82 PolarHBondContact O-N 3.17Å; K82-Q84 VanDerWaalsContact C-N 3.35Å; K82-L85 PolarHBondContact O-N 3.23Å; K82-A86 VanDerWaalsContact O-CB 3.29Å; K82-A86 WeakPolarHBondContact O-CB 3.46Å; K82-A86 PolarHBondContact O-N 3.18Å
83	V	97.2	Very high	96.2	Very high	88 Å²	88	66.1 Å²	66.1	53%	0.533	34%	0.343	S	S	.	.	H	α-helix	trans	-62.1	-45.6	178.6	172.8	0	0	0	0	110.1	G79 D80 D81 A86 M87	G79-V83 WeakPolarHBondContact O-CG2 3.49Å; G79-V83 PolarHBondContact O-N 3.21Å; D80-V83 PolarHBondContact O-N 2.83Å; D81-V83 PolarHBondContact O-N 3.34Å; V83-A86 PolarHBondContact O-N 3.05Å; V83-M87 HydrophobicContact CG1-SD 4.09Å; V83-M87 VanDerWaalsContact O-CG 3.31Å; V83-M87 WeakPolarHBondContact O-CG 3.23Å; V83-M87 PolarHBondContact O-N 3.38Å
84	Q	97.2	Very high	95.8	Very high	103 Å²	103	66.4 Å²	66.4	48%	0.481	34%	0.337	S	S	.	.	H	α-helix	trans	-61.6	-44.5	175.3	-73	171.7	80.5	0	0	112.5	D80 D81 K82 A86 M87 Q88	D80-Q84 WeakPolarHBondContact O-CG 3.32Å; D80-Q84 PolarHBondContact O-N 3.04Å; D80-Q84 VanDerWaalsContact O-N 3.11Å; D80-Q84 PolarHBondContact O-NE2 3.29Å; D80-Q84 VanDerWaalsContact O-NE2 3.14Å; D81-Q84 PolarHBondContact O-N 3.33Å; K82-Q84 VanDerWaalsContact C-N 3.35Å; Q84-A86 VanDerWaalsContact C-N 3.34Å; Q84-A86 PolarHBondContact O-N 3.08Å; Q84-M87 PolarHBondContact O-N 3.1Å; Q84-Q88 WeakPolarHBondContact O-CB 3.36Å; Q84-Q88 VanDerWaalsContact O-CG 3.28Å; Q84-Q88 WeakPolarHBondContact O-CG 3.45Å; Q84-Q88 PolarHBondContact O-N 3.28Å
85	L	97.5	Very high	95.4	Very high	18 Å²	18	69 Å²	69	9%	0.094	35%	0.348	C	S	.	.	H	α-helix	trans	-64.5	-37.9	177.8	-178.8	62.6	0	0	0	112.1	N24 L27 M28 L31 D81 K82 T89	N24-L85 HydrophobicContact CB-CD1 4Å; L27-L85 HydrophobicContact CB-CD2 3.67Å; M28-L85 HydrophobicContact CB-CD2 4.13Å; M28-L85 HydrophobicContact CE-CB 3.99Å; M28-L85 HydrophobicContact CE-CD2 3.91Å; M28-L85 HydrophobicContact CE-CG 3.83Å; M28-L85 HydrophobicContact SD-CD2 4.29Å; L31-L85 HydrophobicContact CD1-CD2 4.04Å; D81-L85 WeakPolarHBondContact O-CB 3.28Å; D81-L85 PolarHBondContact O-N 3.19Å; K82-L85 PolarHBondContact O-N 3.23Å; L85-T89 VanDerWaalsContact O-CB 3.29Å; L85-T89 WeakPolarHBondContact O-CB 3.5Å; L85-T89 PolarHBondContact O-N 3.47Å; L85-T89 PolarHBondContact O-OG1 3.38Å
86	A	96.7	Very high	94.9	Very high	46 Å²	46	69.4 Å²	69.4	38%	0.38	35%	0.348	S	S	.	.	H	α-helix	trans	-66.5	-45.7	175.7	0	0	0	0	0	111.3	M28 K82 V83 Q84 T89 Y90	M28-A86 HydrophobicContact CE-CB 3.84Å; K82-A86 VanDerWaalsContact O-CB 3.29Å; K82-A86 WeakPolarHBondContact O-CB 3.46Å; K82-A86 PolarHBondContact O-N 3.18Å; V83-A86 PolarHBondContact O-N 3.05Å; Q84-A86 VanDerWaalsContact C-N 3.34Å; Q84-A86 PolarHBondContact O-N 3.08Å; A86-T89 PolarHBondContact O-N 3.03Å; A86-Y90 WeakPolarHBondContact O-CB 3.25Å; A86-Y90 PolarHBondContact O-N 3.1Å
87	M	95.2	Very high	94.5	Very high	107 Å²	107	66.3 Å²	66.3	53%	0.527	34%	0.337	S	S	.	.	H	α-helix	trans	-59.7	-50.9	175.2	-71.6	176.8	68.5	0	0	111.6	V83 Q84 T89 Y90 E91	V83-M87 HydrophobicContact CG1-SD 4.09Å; V83-M87 VanDerWaalsContact O-CG 3.31Å; V83-M87 WeakPolarHBondContact O-CG 3.23Å; V83-M87 PolarHBondContact O-N 3.38Å; Q84-M87 PolarHBondContact O-N 3.1Å; M87-T89 VanDerWaalsContact C-N 3.26Å; M87-T89 PolarHBondContact O-N 2.93Å; M87-Y90 PolarHBondContact O-N 2.9Å; M87-Y90 VanDerWaalsContact O-N 3.1Å; M87-E91 WeakPolarHBondContact O-CB 3.31Å; M87-E91 WeakPolarHBondContact O-CG 3.48Å; M87-E91 PolarHBondContact O-N 3.18Å
88	Q	94	Very high	94	Very high	110 Å²	110	66.7 Å²	66.7	51%	0.514	33%	0.333	S	S	.	.	H	α-helix	trans	-58.7	-38	177.2	-72	171.3	11.7	0	0	112.4	Q84 M92	Q84-Q88 WeakPolarHBondContact O-CB 3.36Å; Q84-Q88 VanDerWaalsContact O-CG 3.28Å; Q84-Q88 WeakPolarHBondContact O-CG 3.45Å; Q84-Q88 PolarHBondContact O-N 3.28Å; Q88-M92 VanDerWaalsContact O-CB 3.23Å; Q88-M92 WeakPolarHBondContact O-CB 3.3Å; Q88-M92 PolarHBondContact O-N 3.3Å
89	T	95.4	Very high	93.4	Very high	14 Å²	14	68.6 Å²	68.6	9%	0.086	34%	0.339	C	S	.	.	H	α-helix	trans	-70.6	-36.4	177.7	-56.5	0	0	0	0	111.7	L21 N24 L85 A86 M87 M92 V93	L21-T89 HydrophobicContact CD2-CG2 3.71Å; N24-T89 HydrophobicContact CB-CG2 4.31Å; N24-T89 WeakPolarHBondContact CB-OG1 3.48Å; N24-T89 PolarHBondContact ND2-OG1 3.23Å; L85-T89 VanDerWaalsContact O-CB 3.29Å; L85-T89 WeakPolarHBondContact O-CB 3.5Å; L85-T89 PolarHBondContact O-N 3.47Å; L85-T89 PolarHBondContact O-OG1 3.38Å; A86-T89 PolarHBondContact O-N 3.03Å; M87-T89 VanDerWaalsContact C-N 3.26Å; M87-T89 PolarHBondContact O-N 2.93Å; T89-M92 HydrophobicContact CG2-CE 3.91Å; T89-V93 WeakPolarHBondContact O-CG2 3.25Å; T89-V93 PolarHBondContact O-N 3.36Å
90	Y	93.6	Very high	92.9	Very high	93 Å²	93	69 Å²	69	37%	0.365	34%	0.335	S	S	.	.	H	α-helix	trans	-68.2	-50.3	173.8	-178.3	-86.6	0	0	0	111.7	A86 M87 M92 V93 D94 M189	A86-Y90 WeakPolarHBondContact O-CB 3.25Å; A86-Y90 PolarHBondContact O-N 3.1Å; M87-Y90 PolarHBondContact O-N 2.9Å; M87-Y90 VanDerWaalsContact O-N 3.1Å; Y90-M92 VanDerWaalsContact C-N 3.26Å; Y90-M92 PolarHBondContact O-N 2.84Å; Y90-V93 PolarHBondContact O-N 3.36Å; Y90-V93 VanDerWaalsContact O-N 3.08Å; Y90-D94 HydrophobicContact CD1-CB 4.49Å; Y90-D94 HydrophobicContact CE1-CB 4.18Å; Y90-D94 WeakPolarHBondContact O-CB 3.41Å; Y90-D94 PolarHBondContact O-N 2.79Å; Y90-M189 HydrophobicContact CD1-CE 4.02Å; Y90-M189 HydrophobicContact CD1-SD 3.72Å; Y90-M189 HydrophobicContact CD2-CE 3.85Å; Y90-M189 HydrophobicContact CD2-SD 4.27Å; Y90-M189 HydrophobicContact CE1-CE 4.11Å; Y90-M189 HydrophobicContact CE1-CG 4.14Å; Y90-M189 HydrophobicContact CE1-SD 3.3Å; Y90-M189 WeakPolarHBondContact CE1-SD 3.48Å; Y90-M189 HydrophobicContact CE2-CE 3.93Å; Y90-M189 HydrophobicContact CE2-CG 4.03Å; Y90-M189 HydrophobicContact CE2-SD 3.9Å; Y90-M189 HydrophobicContact CG-CE 3.9Å; Y90-M189 HydrophobicContact CG-SD 4.19Å; Y90-M189 WeakPolarHBondContact OH-CG 3.45Å
91	E	92.1	Very high	92.4	Very high	112 Å²	112	68.3 Å²	68.3	52%	0.523	33%	0.331	S	S	.	.	H	α-helix	trans	-57.1	-38.3	177.5	-72	171.5	-170.3	0	0	112.3	M87 K95	M87-E91 WeakPolarHBondContact O-CB 3.31Å; M87-E91 WeakPolarHBondContact O-CG 3.48Å; M87-E91 PolarHBondContact O-N 3.18Å; E91-K95 VanDerWaalsContact O-CB 3.25Å; E91-K95 WeakPolarHBondContact O-CB 3.31Å; E91-K95 PolarHBondContact O-N 3.32Å
92	M	91.7	Very high	91.7	Very high	22 Å²	22	68.1 Å²	68.1	11%	0.108	33%	0.333	C	S	.	.	H	α-helix	trans	-59.5	-55.6	171.5	175.6	-171.2	72.6	0	0	111	L17 E20 L21 Q88 T89 Y90 D94 K95 H96	L17-M92 HydrophobicContact CD1-CE 3.79Å; L17-M92 HydrophobicContact CD1-CG 4.2Å; L17-M92 HydrophobicContact CD1-SD 4.26Å; E20-M92 HydrophobicContact CB-CE 4.41Å; E20-M92 HydrophobicContact CB-SD 3.56Å; E20-M92 VanDerWaalsContact CB-SD 3.56Å; L21-M92 HydrophobicContact CD2-CE 3.54Å; L21-M92 HydrophobicContact CG-CE 3.69Å; Q88-M92 VanDerWaalsContact O-CB 3.23Å; Q88-M92 WeakPolarHBondContact O-CB 3.3Å; Q88-M92 PolarHBondContact O-N 3.3Å; T89-M92 HydrophobicContact CG2-CE 3.91Å; Y90-M92 VanDerWaalsContact C-N 3.26Å; Y90-M92 PolarHBondContact O-N 2.84Å; M92-D94 PolarHBondContact O-N 2.91Å; M92-K95 WeakPolarHBondContact O-CB 3.49Å; M92-K95 PolarHBondContact O-N 2.89Å; M92-H96 PolarHBondContact O-CD2 3.03Å; M92-H96 PolarHBondContact O-N 2.72Å; M92-H96 VanDerWaalsContact O-N 3.14Å
93	V	92.2	Very high	91	Very high	46 Å²	46	68 Å²	68	28%	0.279	33%	0.334	S	S	.	.	H	α-helix	trans	-60.7	-46	-179.4	171	0	0	0	0	111.8	L17 L21 T89 Y90 K95 H96 I97	L17-V93 HydrophobicContact CD1-CG2 4.22Å; L21-V93 HydrophobicContact CD2-CG2 3.82Å; T89-V93 WeakPolarHBondContact O-CG2 3.25Å; T89-V93 PolarHBondContact O-N 3.36Å; Y90-V93 PolarHBondContact O-N 3.36Å; Y90-V93 VanDerWaalsContact O-N 3.08Å; V93-K95 VanDerWaalsContact C-N 3.33Å; V93-K95 PolarHBondContact O-N 2.85Å; V93-H96 PolarHBondContact O-N 3.3Å; V93-I97 HydrophobicContact CG1-CD1 3.83Å; V93-I97 HydrophobicContact CG1-CG1 4.38Å; V93-I97 WeakPolarHBondContact O-CG1 3.46Å; V93-I97 PolarHBondContact O-N 2.92Å
94	D	90.2	Very high	90.5	Very high	36 Å²	36	68.6 Å²	68.6	19%	0.193	33%	0.333	C	S	.	.	H	α-helix	trans	-54.8	-46	175.7	173.2	85.8	0	0	0	111.9	Y90 M92 H96 I97 R98	Y90-D94 HydrophobicContact CD1-CB 4.49Å; Y90-D94 HydrophobicContact CE1-CB 4.18Å; Y90-D94 WeakPolarHBondContact O-CB 3.41Å; Y90-D94 PolarHBondContact O-N 2.79Å; M92-D94 PolarHBondContact O-N 2.91Å; D94-H96 VanDerWaalsContact C-N 3.31Å; D94-H96 PolarHBondContact O-N 3.4Å; D94-I97 PolarHBondContact O-N 2.88Å; D94-R98 VanDerWaalsContact CG-NE 3.31Å; D94-R98 WeakPolarHBondContact O-CG 3.27Å; D94-R98 PolarHBondContact O-N 2.94Å; D94-R98 IonicContact OD1-CZ 3.43Å; D94-R98 VanDerWaalsContact OD1-CZ 3.25Å; D94-R98 IonicContact OD1-NE 2.73Å; D94-R98 PolarHBondContact OD1-NE 3.3Å; D94-R98 IonicContact OD1-NH2 3.82Å; D94-R98 PolarHBondContact OD1-NH2 3.32Å; D94-R98 IonicContact OD2-CZ 3.02Å; D94-R98 IonicContact OD2-NE 2.68Å; D94-R98 PolarHBondContact OD2-NE 3.21Å; D94-R98 IonicContact OD2-NH2 2.64Å; D94-R98 PolarHBondContact OD2-NH2 3Å
95	K	88.5	Confident	90	Very high	153 Å²	153	66.7 Å²	66.7	67%	0.665	34%	0.335	S	S	*	.	H	α-helix	trans	-61	-36.7	175.1	177.1	-172.3	172.3	-165.2	0	112.8	E91 M92 V93 R99	E91-K95 VanDerWaalsContact O-CB 3.25Å; E91-K95 WeakPolarHBondContact O-CB 3.31Å; E91-K95 PolarHBondContact O-N 3.32Å; M92-K95 WeakPolarHBondContact O-CB 3.49Å; M92-K95 PolarHBondContact O-N 2.89Å; V93-K95 VanDerWaalsContact C-N 3.33Å; V93-K95 PolarHBondContact O-N 2.85Å; K95-R99 PolarHBondContact O-N 2.86Å
96	H	87.6	Confident	89.4	Confident	31 Å²	31	72.4 Å²	72.4	14%	0.144	36%	0.356	C	S	.	.	H	α-helix	trans	-70.3	-43.3	174	-72.7	-80	0	0	0	111.8	S13 L17 M92 V93 D94 R99 L100	S13-H96 PolarHBondContact O-CE1 3.43Å; S13-H96 PolarHBondContact O-ND1 3.07Å; L17-H96 HydrophobicContact CD2-CB 3.96Å; M92-H96 PolarHBondContact O-CD2 3.03Å; M92-H96 PolarHBondContact O-N 2.72Å; M92-H96 VanDerWaalsContact O-N 3.14Å; V93-H96 PolarHBondContact O-N 3.3Å; D94-H96 VanDerWaalsContact C-N 3.31Å; D94-H96 PolarHBondContact O-N 3.4Å; H96-R99 PolarHBondContact O-N 2.84Å; H96-L100 WeakPolarHBondContact O-CG 3.39Å; H96-L100 PolarHBondContact O-N 3.22Å
97	I	88.6	Confident	88.8	Confident	62 Å²	62	73.8 Å²	73.8	32%	0.318	35%	0.353	S	S	.	.	H	α-helix	trans	-55.4	-54.5	174.8	-67.9	168	0	0	0	110	V93 D94 R99 L100 D101	V93-I97 HydrophobicContact CG1-CD1 3.83Å; V93-I97 HydrophobicContact CG1-CG1 4.38Å; V93-I97 WeakPolarHBondContact O-CG1 3.46Å; V93-I97 PolarHBondContact O-N 2.92Å; D94-I97 PolarHBondContact O-N 2.88Å; I97-R99 VanDerWaalsContact C-N 3.26Å; I97-R99 PolarHBondContact O-N 2.84Å; I97-R99 VanDerWaalsContact O-N 3.16Å; I97-L100 WeakPolarHBondContact O-CA 3.11Å; I97-L100 WeakPolarHBondContact O-CB 3.48Å; I97-L100 PolarHBondContact O-N 2.91Å; I97-D101 WeakPolarHBondContact CG2-OD2 3.42Å; I97-D101 VanDerWaalsContact O-CG 3.26Å; I97-D101 PolarHBondContact O-N 3.38Å
98	R	87.6	Confident	88.4	Confident	119 Å²	119	73.7 Å²	73.7	45%	0.449	35%	0.351	S	S	.	.	H	α-helix	trans	-58.3	-33.4	179.5	-66.8	179.5	-163.9	-70.3	-10.5	113.8	D94 T102	D94-R98 VanDerWaalsContact CG-NE 3.31Å; D94-R98 WeakPolarHBondContact O-CG 3.27Å; D94-R98 PolarHBondContact O-N 2.94Å; D94-R98 IonicContact OD1-CZ 3.43Å; D94-R98 VanDerWaalsContact OD1-CZ 3.25Å; D94-R98 IonicContact OD1-NE 2.73Å; D94-R98 PolarHBondContact OD1-NE 3.3Å; D94-R98 IonicContact OD1-NH2 3.82Å; D94-R98 PolarHBondContact OD1-NH2 3.32Å; D94-R98 IonicContact OD2-CZ 3.02Å; D94-R98 IonicContact OD2-NE 2.68Å; D94-R98 PolarHBondContact OD2-NE 3.21Å; D94-R98 IonicContact OD2-NH2 2.64Å; D94-R98 PolarHBondContact OD2-NH2 3Å; R98-T102 WeakPolarHBondContact O-CB 3.36Å; R98-T102 PolarHBondContact O-N 3.32Å; R98-T102 VanDerWaalsContact O-N 3.14Å; R98-T102 PolarHBondContact O-OG1 2.81Å
99	R	85.7	Confident	88	Confident	85 Å²	85	70.9 Å²	70.9	32%	0.321	35%	0.347	S	S	.	.	H	α-helix	trans	-68.3	-48.9	174.1	-179.9	169.3	172.2	-160.4	-3.1	110.6	H9 D12 S13 K95 H96 I97 D101 T102 D103	H9-R99 PolarHBondContact CD2-NH2 2.72Å; H9-R99 PolarHBondContact CE1-NE 3.19Å; H9-R99 PolarHBondContact CE1-NH2 3.04Å; H9-R99 PolarHBondContact NE2-NH2 3.11Å; D12-R99 PolarHBondContact O-NH1 3.31Å; D12-R99 VanDerWaalsContact O-NH1 3.17Å; S13-R99 VanDerWaalsContact OG-CD 3.22Å; S13-R99 WeakPolarHBondContact OG-CD 3.48Å; S13-R99 WeakPolarHBondContact OG-CG 3.45Å; S13-R99 PolarHBondContact OG-NE 3Å; K95-R99 PolarHBondContact O-N 2.86Å; H96-R99 PolarHBondContact O-N 2.84Å; I97-R99 VanDerWaalsContact C-N 3.26Å; I97-R99 PolarHBondContact O-N 2.84Å; I97-R99 VanDerWaalsContact O-N 3.16Å; R99-D101 PolarHBondContact O-N 2.98Å; R99-T102 WeakPolarHBondContact O-CB 3.02Å; R99-T102 PolarHBondContact O-N 3.06Å; R99-D103 VanDerWaalsContact O-CG 3.3Å; R99-D103 PolarHBondContact O-N 2.91Å
100	L	86.1	Confident	87.6	Confident	35 Å²	35	72.6 Å²	72.6	18%	0.183	36%	0.356	C	S	.	.	H	α-helix	trans	-59.2	-44	177.1	-66.6	178.9	0	0	0	112	Y10 I14 H96 I97 T102 D103 L104	Y10-L100 HydrophobicContact CD2-CD2 3.41Å; Y10-L100 VanDerWaalsContact CD2-CD2 3.41Å; Y10-L100 HydrophobicContact CE2-CD1 4.24Å; Y10-L100 HydrophobicContact CE2-CD2 3.54Å; Y10-L100 HydrophobicContact CG-CD2 4.4Å; I14-L100 HydrophobicContact CG2-CD1 4.24Å; H96-L100 WeakPolarHBondContact O-CG 3.39Å; H96-L100 PolarHBondContact O-N 3.22Å; I97-L100 WeakPolarHBondContact O-CA 3.11Å; I97-L100 WeakPolarHBondContact O-CB 3.48Å; I97-L100 PolarHBondContact O-N 2.91Å; L100-T102 VanDerWaalsContact C-N 3.35Å; L100-T102 PolarHBondContact O-N 3.06Å; L100-D103 PolarHBondContact O-N 3.06Å; L100-L104 WeakPolarHBondContact O-CB 3.39Å; L100-L104 VanDerWaalsContact O-CG 3.28Å; L100-L104 WeakPolarHBondContact O-CG 3.46Å; L100-L104 PolarHBondContact O-N 3.14Å
101	D	86.9	Confident	87.1	Confident	53 Å²	53	72.3 Å²	72.3	28%	0.283	36%	0.36	S	S	.	.	H	α-helix	trans	-61.3	-42.9	176.4	-61.3	-29.5	0	0	0	112.1	I97 R99 D103 L104 A105 N194	I97-D101 WeakPolarHBondContact CG2-OD2 3.42Å; I97-D101 VanDerWaalsContact O-CG 3.26Å; I97-D101 PolarHBondContact O-N 3.38Å; R99-D101 PolarHBondContact O-N 2.98Å; D101-D103 VanDerWaalsContact C-N 3.3Å; D101-D103 PolarHBondContact O-N 3.48Å; D101-L104 PolarHBondContact O-N 3.19Å; D101-A105 VanDerWaalsContact O-CB 3.3Å; D101-A105 WeakPolarHBondContact O-CB 3.47Å; D101-A105 PolarHBondContact O-N 2.83Å; D101-N194 PolarHBondContact OD1-ND2 3.4Å; D101-N194 PolarHBondContact OD2-ND2 3.28Å
102	T	84.6	Confident	86.8	Confident	67 Å²	67	72.1 Å²	72.1	41%	0.411	36%	0.358	S	S	.	.	H	α-helix	trans	-62.6	-39.7	177.6	-60.8	0	0	0	0	111.1	R98 R99 L100 R106	R98-T102 WeakPolarHBondContact O-CB 3.36Å; R98-T102 PolarHBondContact O-N 3.32Å; R98-T102 VanDerWaalsContact O-N 3.14Å; R98-T102 PolarHBondContact O-OG1 2.81Å; R99-T102 WeakPolarHBondContact O-CB 3.02Å; R99-T102 PolarHBondContact O-N 3.06Å; L100-T102 VanDerWaalsContact C-N 3.35Å; L100-T102 PolarHBondContact O-N 3.06Å; T102-R106 WeakPolarHBondContact O-CD 3.21Å; T102-R106 VanDerWaalsContact O-CG 3.26Å; T102-R106 WeakPolarHBondContact O-CG 3.41Å; T102-R106 PolarHBondContact O-N 3.03Å; T102-R106 VanDerWaalsContact O-N 3.12Å
103	D	83.5	Confident	86.4	Confident	28 Å²	28	76.7 Å²	76.7	15%	0.15	38%	0.378	C	S	.	.	H	α-helix	trans	-76.8	-35	180	-65.1	-33.3	0	0	0	112.6	H9 R99 L100 D101 R106 F107	H9-D103 VanDerWaalsContact CE1-CG 3.49Å; H9-D103 IonicContact CE1-OD1 2.67Å; H9-D103 PolarHBondContact CE1-OD1 2.71Å; H9-D103 IonicContact CE1-OD2 3.25Å; H9-D103 PolarHBondContact CE1-OD2 3.29Å; H9-D103 VanDerWaalsContact ND1-CG 3.33Å; H9-D103 IonicContact ND1-OD1 2.73Å; H9-D103 IonicContact ND1-OD2 2.59Å; H9-D103 PolarHBondContact ND1-OD2 2.74Å; R99-D103 VanDerWaalsContact O-CG 3.3Å; R99-D103 PolarHBondContact O-N 2.91Å; L100-D103 PolarHBondContact O-N 3.06Å; D101-D103 VanDerWaalsContact C-N 3.3Å; D101-D103 PolarHBondContact O-N 3.48Å; D103-R106 PolarHBondContact O-N 3.29Å; D103-R106 IonicContact OD1-CZ 2.62Å; D103-R106 IonicContact OD1-NH1 3.95Å; D103-R106 PolarHBondContact OD1-NH1 2.67Å; D103-F107 WeakPolarHBondContact O-CB 3.25Å; D103-F107 PolarHBondContact O-N 3.22Å
104	L	85.1	Confident	85.8	Confident	101 Å²	101	78.9 Å²	78.9	53%	0.529	38%	0.384	S	S	.	.	H	α-helix	trans	-63.5	-44.7	169.9	-73.8	169.5	0	0	0	111.4	L100 D101 R106 F107 E108	L100-L104 WeakPolarHBondContact O-CB 3.39Å; L100-L104 VanDerWaalsContact O-CG 3.28Å; L100-L104 WeakPolarHBondContact O-CG 3.46Å; L100-L104 PolarHBondContact O-N 3.14Å; D101-L104 PolarHBondContact O-N 3.19Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 2.91Å; L104-F107 PolarHBondContact O-N 2.81Å; L104-E108 PolarHBondContact O-N 3.48Å
105	A	87	Confident	85.3	Confident	63 Å²	63	83.9 Å²	83.9	52%	0.521	41%	0.406	S	S	.	.	H	α-helix	trans	-62.8	-37.2	177.1	0	0	0	0	0	112.5	D101 A109	D101-A105 VanDerWaalsContact O-CB 3.3Å; D101-A105 WeakPolarHBondContact O-CB 3.47Å; D101-A105 PolarHBondContact O-N 2.83Å; A105-A109 PolarHBondContact O-N 3.49Å; A105-A109 VanDerWaalsContact O-N 3.14Å
106	R	85.4	Confident	84.6	Confident	138 Å²	138	81.5 Å²	81.5	52%	0.521	40%	0.4	S	S	.	.	H	α-helix	trans	-64.6	-49.5	170.5	-72.7	163.7	177.3	161.3	-3	111.5	T102 D103 L104 E108 A109 D110	T102-R106 WeakPolarHBondContact O-CD 3.21Å; T102-R106 VanDerWaalsContact O-CG 3.26Å; T102-R106 WeakPolarHBondContact O-CG 3.41Å; T102-R106 PolarHBondContact O-N 3.03Å; T102-R106 VanDerWaalsContact O-N 3.12Å; D103-R106 PolarHBondContact O-N 3.29Å; D103-R106 IonicContact OD1-CZ 2.62Å; D103-R106 IonicContact OD1-NH1 3.95Å; D103-R106 PolarHBondContact OD1-NH1 2.67Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 2.91Å; R106-E108 VanDerWaalsContact C-N 3.3Å; R106-E108 PolarHBondContact O-N 3.33Å; R106-A109 WeakPolarHBondContact O-CB 3.49Å; R106-A109 PolarHBondContact O-N 3.34Å; R106-A109 VanDerWaalsContact O-N 3.08Å; R106-D110 WeakPolarHBondContact O-CB 3.34Å; R106-D110 VanDerWaalsContact O-CG 3.31Å; R106-D110 PolarHBondContact O-N 3.01Å
107	F	82.9	Confident	83.9	Confident	75 Å²	75	85.8 Å²	85.8	33%	0.329	42%	0.42	S	S	.	.	H	α-helix	trans	-58.4	-41.4	178.9	178.8	-109.2	0	0	0	112.2	Y6 D103 L104 D110 L111	Y6-F107 HydrophobicContact CD1-CB 4.41Å; Y6-F107 HydrophobicContact CD1-CD2 4.01Å; Y6-F107 AromaticContact CD2-CD2 3.54Å; Y6-F107 HydrophobicContact CD2-CD2 3.54Å; Y6-F107 AromaticContact CD2-CE2 3.73Å; Y6-F107 HydrophobicContact CD2-CE2 3.73Å; Y6-F107 HydrophobicContact CE1-CB 4.46Å; Y6-F107 HydrophobicContact CE1-CD2 4.05Å; Y6-F107 AromaticContact CE2-CD2 3.6Å; Y6-F107 HydrophobicContact CE2-CD2 3.6Å; Y6-F107 AromaticContact CE2-CE2 3.86Å; Y6-F107 HydrophobicContact CE2-CE2 3.86Å; Y6-F107 AromaticContact CG-CD2 3.77Å; Y6-F107 HydrophobicContact CG-CD2 3.77Å; Y6-F107 HydrophobicContact CG-CE2 4.32Å; Y6-F107 AromaticContact CZ-CD2 3.87Å; D103-F107 WeakPolarHBondContact O-CB 3.25Å; D103-F107 PolarHBondContact O-N 3.22Å; L104-F107 PolarHBondContact O-N 2.81Å; F107-D110 PolarHBondContact O-N 3.28Å; F107-L111 HydrophobicContact CD1-CD1 4Å; F107-L111 HydrophobicContact CE1-CD1 3.5Å; F107-L111 HydrophobicContact CE1-CG 4.32Å; F107-L111 HydrophobicContact CE2-CD1 4.34Å; F107-L111 HydrophobicContact CE2-CG 4.35Å; F107-L111 HydrophobicContact CZ-CD1 3.7Å; F107-L111 HydrophobicContact CZ-CD2 4.44Å; F107-L111 HydrophobicContact CZ-CG 4.18Å; F107-L111 WeakPolarHBondContact O-CB 3.46Å; F107-L111 WeakPolarHBondContact O-CG 3.25Å; F107-L111 PolarHBondContact O-N 2.8Å
108	E	87.2	Confident	82.9	Confident	104 Å²	104	85.4 Å²	85.4	49%	0.486	42%	0.423	S	S	.	.	H	α-helix	trans	-61.5	-42.9	172.5	-85.4	-160.2	-156	0	0	113.1	L104 R106 L111 K112	L104-E108 PolarHBondContact O-N 3.48Å; R106-E108 VanDerWaalsContact C-N 3.3Å; R106-E108 PolarHBondContact O-N 3.33Å; E108-L111 PolarHBondContact O-N 3.07Å; E108-K112 WeakPolarHBondContact O-CB 3.49Å; E108-K112 VanDerWaalsContact O-CD 3.25Å; E108-K112 WeakPolarHBondContact O-CD 3.17Å; E108-K112 WeakPolarHBondContact O-CG 3.48Å; E108-K112 PolarHBondContact O-N 3.12Å; E108-K112 IonicContact OE2-NZ 2.57Å; E108-K112 PolarHBondContact OE2-NZ 3.1Å
109	A	87.1	Confident	82	Confident	51 Å²	51	83 Å²	83	42%	0.421	42%	0.424	S	S	.	.	H	α-helix	trans	-64.6	-46.7	176.8	0	0	0	0	0	111.1	A105 R106 L111 K112 E113	A105-A109 PolarHBondContact O-N 3.49Å; A105-A109 VanDerWaalsContact O-N 3.14Å; R106-A109 WeakPolarHBondContact O-CB 3.49Å; R106-A109 PolarHBondContact O-N 3.34Å; R106-A109 VanDerWaalsContact O-N 3.08Å; A109-L111 VanDerWaalsContact C-N 3.25Å; A109-L111 PolarHBondContact O-N 3.42Å; A109-K112 PolarHBondContact O-N 3.42Å; A109-K112 VanDerWaalsContact O-N 3.11Å; A109-E113 PolarHBondContact O-N 3.14Å
110	D	86.1	Confident	80.8	Confident	50 Å²	50	84.2 Å²	84.2	27%	0.267	44%	0.437	S	S	.	.	H	α-helix	trans	-62.4	-29	178.3	-74	-1.7	0	0	0	112.9	Y6 R106 F107 K114	Y6-D110 WeakPolarHBondContact CE1-OD2 2.83Å; Y6-D110 WeakPolarHBondContact OH-CB 3.38Å; Y6-D110 PolarHBondContact OH-OD2 3.42Å; R106-D110 WeakPolarHBondContact O-CB 3.34Å; R106-D110 VanDerWaalsContact O-CG 3.31Å; R106-D110 PolarHBondContact O-N 3.01Å; F107-D110 PolarHBondContact O-N 3.28Å; D110-K114 WeakPolarHBondContact O-CD 3.47Å; D110-K114 VanDerWaalsContact O-CG 3.27Å; D110-K114 WeakPolarHBondContact O-CG 3.43Å; D110-K114 PolarHBondContact O-N 3.18Å; D110-K114 PolarHBondContact O-NZ 3.08Å
111	L	83.3	Confident	79.4	Confident	88 Å²	88	90 Å²	90	46%	0.461	46%	0.458	S	S	.	.	H	α-helix	trans	-75.9	-44	171.3	-76.6	178.1	0	0	0	111.9	F107 E108 A109 E113 K114 Q115	F107-L111 HydrophobicContact CD1-CD1 4Å; F107-L111 HydrophobicContact CE1-CD1 3.5Å; F107-L111 HydrophobicContact CE1-CG 4.32Å; F107-L111 HydrophobicContact CE2-CD1 4.34Å; F107-L111 HydrophobicContact CE2-CG 4.35Å; F107-L111 HydrophobicContact CZ-CD1 3.7Å; F107-L111 HydrophobicContact CZ-CD2 4.44Å; F107-L111 HydrophobicContact CZ-CG 4.18Å; F107-L111 WeakPolarHBondContact O-CB 3.46Å; F107-L111 WeakPolarHBondContact O-CG 3.25Å; F107-L111 PolarHBondContact O-N 2.8Å; E108-L111 PolarHBondContact O-N 3.07Å; A109-L111 VanDerWaalsContact C-N 3.25Å; A109-L111 PolarHBondContact O-N 3.42Å; L111-E113 VanDerWaalsContact C-N 3.33Å; L111-E113 PolarHBondContact O-N 2.99Å; L111-K114 PolarHBondContact O-N 3.49Å; L111-Q115 WeakPolarHBondContact O-CB 3.36Å; L111-Q115 PolarHBondContact O-N 3.14Å
112	K	85.9	Confident	77.9	Confident	108 Å²	108	92.7 Å²	92.7	47%	0.47	47%	0.472	S	S	.	.	H	α-helix	trans	-62.6	-39.9	178.6	-70.3	159.7	-164.9	168.8	0	111.4	E108 A109 Q115 I116	E108-K112 WeakPolarHBondContact O-CB 3.49Å; E108-K112 VanDerWaalsContact O-CD 3.25Å; E108-K112 WeakPolarHBondContact O-CD 3.17Å; E108-K112 WeakPolarHBondContact O-CG 3.48Å; E108-K112 PolarHBondContact O-N 3.12Å; E108-K112 IonicContact OE2-NZ 2.57Å; E108-K112 PolarHBondContact OE2-NZ 3.1Å; A109-K112 PolarHBondContact O-N 3.42Å; A109-K112 VanDerWaalsContact O-N 3.11Å; K112-Q115 PolarHBondContact O-N 3.41Å; K112-I116 WeakPolarHBondContact O-CG1 3.33Å; K112-I116 PolarHBondContact O-N 2.94Å; K112-I116 VanDerWaalsContact O-N 3.08Å
113	E	83.7	Confident	76.6	Confident	117 Å²	117	94.2 Å²	94.2	55%	0.547	49%	0.485	S	S	.	.	H	α-helix	trans	-62.8	-50.5	174.9	-173.9	169	-128.7	0	0	111.7	A109 L111 Q115 I116 E117	A109-E113 PolarHBondContact O-N 3.14Å; L111-E113 VanDerWaalsContact C-N 3.33Å; L111-E113 PolarHBondContact O-N 2.99Å; E113-Q115 PolarHBondContact O-N 3.07Å; E113-I116 WeakPolarHBondContact O-CA 3.35Å; E113-I116 WeakPolarHBondContact O-CB 3.3Å; E113-I116 PolarHBondContact O-N 3.23Å; E113-E117 PolarHBondContact O-N 3.47Å
114	K	79.9	Confident	75.3	Confident	92 Å²	92	97.8 Å²	97.8	40%	0.4	51%	0.513	S	S	.	.	H	α-helix	trans	-61.6	-32.6	177.5	-70.2	170.7	-167.2	67.7	0	112.6	D110 L111 S118	D110-K114 WeakPolarHBondContact O-CD 3.47Å; D110-K114 VanDerWaalsContact O-CG 3.27Å; D110-K114 WeakPolarHBondContact O-CG 3.43Å; D110-K114 PolarHBondContact O-N 3.18Å; D110-K114 PolarHBondContact O-NZ 3.08Å; L111-K114 PolarHBondContact O-N 3.49Å; K114-S118 WeakPolarHBondContact O-CB 3.37Å; K114-S118 PolarHBondContact O-N 2.83Å
115	Q	77.8	Confident	73.6	Confident	141 Å²	141	97.7 Å²	97.7	66%	0.659	52%	0.52	S	S	*	.	H	α-helix	trans	-66.1	-40.8	173.3	-170.7	175.5	1.8	0	0	111.5	L111 K112 E113 S118 S119	L111-Q115 WeakPolarHBondContact O-CB 3.36Å; L111-Q115 PolarHBondContact O-N 3.14Å; K112-Q115 PolarHBondContact O-N 3.41Å; E113-Q115 PolarHBondContact O-N 3.07Å; Q115-S118 PolarHBondContact O-N 3.38Å; Q115-S118 PolarHBondContact O-OG 3.26Å; Q115-S119 PolarHBondContact O-N 3.12Å
116	I	74.8	Confident	72.1	Confident	103 Å²	103	99.9 Å²	99.9	53%	0.528	53%	0.532	S	S	.	.	H	α-helix	trans	-65	-51.5	174.6	-66.1	161.2	0	0	0	110.6	K112 E113 S118 S119 D120	K112-I116 WeakPolarHBondContact O-CG1 3.33Å; K112-I116 PolarHBondContact O-N 2.94Å; K112-I116 VanDerWaalsContact O-N 3.08Å; E113-I116 WeakPolarHBondContact O-CA 3.35Å; E113-I116 WeakPolarHBondContact O-CB 3.3Å; E113-I116 PolarHBondContact O-N 3.23Å; I116-S118 PolarHBondContact O-N 3.06Å; I116-S118 VanDerWaalsContact O-N 3.16Å; I116-S119 PolarHBondContact O-N 3.17Å; I116-S119 PolarHBondContact O-OG 2.84Å; I116-D120 PolarHBondContact O-N 2.91Å
117	E	72.2	Confident	70.2	Confident	121 Å²	121	103.6 Å²	103.6	57%	0.565	55%	0.552	S	S	*	*	H	α-helix	trans	-52.6	-39	176	-69.4	-171.8	125.2	0	0	111.9	E113 S119 Y121	E113-E117 PolarHBondContact O-N 3.47Å; E117-S119 VanDerWaalsContact C-N 3.26Å; E117-S119 PolarHBondContact O-N 3.36Å; E117-Y121 WeakPolarHBondContact O-CD1 3.4Å; E117-Y121 PolarHBondContact O-N 2.96Å
118	S	68.3	Low	68.4	Low	55 Å²	55	103.4 Å²	103.4	39%	0.385	57%	0.571	S	S	.	*	H	α-helix	trans	-67.7	-23.5	178.7	78.6	0	0	0	0	114.5	K114 Q115 I116 Y121	K114-S118 WeakPolarHBondContact O-CB 3.37Å; K114-S118 PolarHBondContact O-N 2.83Å; Q115-S118 PolarHBondContact O-N 3.38Å; Q115-S118 PolarHBondContact O-OG 3.26Å; I116-S118 PolarHBondContact O-N 3.06Å; I116-S118 VanDerWaalsContact O-N 3.16Å; S118-Y121 WeakPolarHBondContact O-CE1 3.37Å
119	S	67.4	Low	66.5	Low	68 Å²	68	108.2 Å²	108.2	48%	0.476	59%	0.59	S	S	.	*	H	α-helix	trans	-88.9	-29.9	179.6	69.9	0	0	0	0	113.4	Q115 I116 E117	Q115-S119 PolarHBondContact O-N 3.12Å; I116-S119 PolarHBondContact O-N 3.17Å; I116-S119 PolarHBondContact O-OG 2.84Å; E117-S119 VanDerWaalsContact C-N 3.26Å; E117-S119 PolarHBondContact O-N 3.36Å
120	D	61.6	Low	64.7	Low	111 Å²	111	115.8 Å²	115.8	59%	0.594	61%	0.614	S	S	*	*	H	α-helix	trans	-77.2	-30.6	-179.2	-83	-37	0	0	0	113	I116 D122	I116-D120 PolarHBondContact O-N 2.91Å; D120-D122 PolarHBondContact O-N 2.99Å
121	Y	56.8	Low	62.5	Low	156 Å²	156	123.6 Å²	123.6	61%	0.612	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-38.5	-179.3	74.2	-117.3	0	0	0	112.9	E117 S118 S123 S124	E117-Y121 WeakPolarHBondContact O-CD1 3.4Å; E117-Y121 PolarHBondContact O-N 2.96Å; S118-Y121 WeakPolarHBondContact O-CE1 3.37Å; Y121-S123 PolarHBondContact O-N 3.35Å; Y121-S124 WeakPolarHBondContact O-CB 3.15Å; Y121-S124 PolarHBondContact O-N 3.49Å; Y121-S124 PolarHBondContact O-OG 3.5Å
122	D	56.2	Low	60.6	Low	110 Å²	110	123.4 Å²	123.4	59%	0.588	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-68.3	-38.4	-173.7	-154.4	-78.3	0	0	0	111.6	D120 S124 S125	D120-D122 PolarHBondContact O-N 2.99Å; D122-S124 PolarHBondContact O-N 3.42Å; D122-S125 PolarHBondContact O-N 2.83Å
123	S	57.4	Low	58.5	Low	98 Å²	98	128.8 Å²	128.8	69%	0.685	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-57.3	-18.3	176.5	-68	0	0	0	0	114.4	Y121	Y121-S123 PolarHBondContact O-N 3.35Å
124	S	55.1	Low	56.7	Low	104 Å²	104	130.2 Å²	130.2	73%	0.727	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-80.6	-16.6	-178.5	74.5	0	0	0	0	115.1	Y121 D122	Y121-S124 WeakPolarHBondContact O-CB 3.15Å; Y121-S124 PolarHBondContact O-N 3.49Å; Y121-S124 PolarHBondContact O-OG 3.5Å; D122-S124 PolarHBondContact O-N 3.42Å
125	S	50.5	Low	55.3	Low	98 Å²	98	133.8 Å²	133.8	69%	0.685	72%	0.717	S	S	*	*			trans	-89.4	-20.4	-167.7	-160.6	0	0	0	0	114.9	D122 K127	D122-S125 PolarHBondContact O-N 2.83Å; S125-K127 PolarHBondContact O-N 3.23Å
126	S	53.5	Low	53.8	Low	110 Å²	110	136.8 Å²	136.8	77%	0.769	73%	0.728	S	S	*	*			trans	-78.7	71.5	-168.9	-78.5	0	0	0	0	115.3	G128	S126-G128 PolarHBondContact O-N 3.45Å
127	K	45.8	Very low	52.5	Low	216 Å²	216	138.7 Å²	138.7	94%	0.939	74%	0.735	S	S	*	*			trans	-77.5	54.9	-178	-141.1	168.4	-168.2	167.9	0	114.1	S125	S125-K127 PolarHBondContact O-N 3.23Å
128	G	45.5	Very low	51.5	Low	71 Å²	71	140.8 Å²	140.8	73%	0.732	74%	0.742	S	S	*	*			trans	-104.3	113.7	-169.4	0	0	0	0	0	116.8	S126	S126-G128 PolarHBondContact O-N 3.45Å
129	K	48.6	Very low	50.5	Low	204 Å²	204	147.4 Å²	147.4	89%	0.887	76%	0.764	S	S	*	*			trans	-63.9	127.2	-179.4	-59.2	162.5	-179.8	167.2	0	114.5
130	K	47.4	Very low	49.3	Very low	210 Å²	210	148.7 Å²	148.7	91%	0.913	78%	0.779	S	S	*	*				-172.7	163.4	120.3	-107.3	169.5	-178	176.3	0	114
131	K	40.4	Very low	48.6	Very low	214 Å²	214	147.7 Å²	147.7	93%	0.93	79%	0.786	S	S	*	*			trans	-97.2	140.3	-177.1	-59	177.2	179.2	177.9	0	111.1
132	G	43.1	Very low	47.9	Very low	84 Å²	84	152.1 Å²	152.1	87%	0.866	80%	0.801	S	S	*	*			trans	-143.6	139.3	164.6	0	0	0	0	0	109.5
133	R	42.7	Very low	47.3	Very low	221 Å²	221	150.8 Å²	150.8	83%	0.834	81%	0.805	S	S	*	*			trans	-137	119.7	-168.6	166.7	-170.2	158.4	-165.6	-6.7	111.3
134	T	45.1	Very low	46.7	Very low	148 Å²	148	157.3 Å²	157.3	91%	0.908	82%	0.815	S	S	*	*			trans	-155.2	144.4	156.5	8.3	0	0	0	0	109.7
135	Q	51.2	Low	46.2	Very low	166 Å²	166	157 Å²	157	78%	0.776	81%	0.813	S	S	*	*			trans	-117.7	142.9	-179	-61.2	159.3	-87.7	0	0	109.5
136	K	46.3	Very low	45.8	Very low	204 Å²	204	162.9 Å²	162.9	89%	0.887	83%	0.826	S	S	*	*			trans	-155.5	148.5	134.1	-139.8	165.9	-178.2	176.1	0	113.7
137	E	47.4	Very low	45.1	Very low	143 Å²	143	161 Å²	161	67%	0.668	82%	0.824	S	S	*	*			trans	-77.9	178.4	-179.4	-37.2	171.8	103.3	0	0	111.3
138	K	52.1	Low	45	Very low	165 Å²	165	161.3 Å²	161.3	72%	0.717	83%	0.825	S	S	*	*			cis	-163.4	164.4	13	-123.1	141.9	-169.1	160.4	0	105.5
139	K	45.7	Very low	44.5	Very low	194 Å²	194	164.9 Å²	164.9	84%	0.843	83%	0.828	S	S	*	*			cis	-117.6	-155.8	9.6	-68.6	175.4	176.9	173.3	0	108.7
140	A	43.5	Very low	44.2	Very low	96 Å²	96	159.2 Å²	159.2	79%	0.793	81%	0.814	S	S	*	*			cis	72.6	130.7	17.3	0	0	0	0	0	117.5
141	A	46.2	Very low	44.1	Very low	89 Å²	89	156.3 Å²	156.3	74%	0.736	81%	0.808	S	S	*	*			cis	-145.9	142.1	10.3	0	0	0	0	0	110.9
142	R	42.6	Very low	44	Very low	249 Å²	249	154.5 Å²	154.5	94%	0.94	80%	0.804	S	S	*	*				51.7	136.7	91.2	-70.1	-173.2	172.4	-143	-1.2	116.1
143	A	43.2	Very low	43.9	Very low	82 Å²	82	158.1 Å²	158.1	68%	0.678	80%	0.798	S	S	*	*			cis	-171.3	163.6	-5.6	0	0	0	0	0	113.5
144	R	44.2	Very low	43.9	Very low	236 Å²	236	151.1 Å²	151.1	89%	0.891	79%	0.787	S	S	*	*			trans	53.2	125	150.7	-72	-177.3	169.7	-176	-5.7	119.6
145	S	46.1	Very low	43.9	Very low	97 Å²	97	150.5 Å²	150.5	68%	0.678	79%	0.785	S	S	*	*			cis	100.3	88.5	35.1	76.3	0	0	0	0	115.6
146	K	42	Very low	43.6	Very low	221 Å²	221	150.1 Å²	150.1	96%	0.961	78%	0.781	S	S	*	*			trans	176.2	144.6	153.5	-103.1	177.2	178.2	-176.6	0	106.7
147	G	37.3	Very low	43.1	Very low	71 Å²	71	147.1 Å²	147.1	73%	0.732	78%	0.78	S	S	*	*			cis	134.2	152.2	-5.2	0	0	0	0	0	112.7
148	K	44.1	Very low	42.7	Very low	222 Å²	222	145.2 Å²	145.2	97%	0.965	79%	0.789	S	S	*	*			trans	91.5	166.1	177.9	-138.1	174.1	-177.9	-172.3	0	115.8
149	N	36.3	Very low	42.2	Very low	146 Å²	146	146 Å²	146	78%	0.781	80%	0.795	S	S	*	*			trans	-134.6	178.2	-151	-172.2	23.8	0	0	0	110.8
150	S	41.5	Very low	41.9	Very low	86 Å²	86	146.8 Å²	146.8	60%	0.601	80%	0.799	S	S	*	*			trans	104.6	150.4	152.8	-54.5	0	0	0	0	119.1
151	D	44.4	Very low	41.5	Very low	148 Å²	148	151.1 Å²	151.1	79%	0.791	80%	0.799	S	S	*	*			trans	69.7	120.5	172.2	-59.3	-97.2	0	0	0	116.3
152	E	39	Very low	41.2	Very low	177 Å²	177	154.9 Å²	154.9	83%	0.827	81%	0.806	S	S	*	*			cis	79	100.8	49.4	-72.9	-80.4	85.2	0	0	114.4
153	E	40.3	Very low	40.8	Very low	160 Å²	160	152.2 Å²	152.2	75%	0.748	80%	0.802	S	S	*	*			trans	-155.9	144.5	134.3	-131.7	-149.5	135.9	0	0	111.9	K156	E153-K156 IonicContact OE1-NZ 3.52Å; E153-K156 PolarHBondContact OE1-NZ 2.98Å; E153-K156 IonicContact OE2-NZ 3.19Å
154	A	44.3	Very low	40.2	Very low	73 Å²	73	155.9 Å²	155.9	60%	0.603	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-95.2	149.2	-176.2	0	0	0	0	0	113.5
155	P	44.9	Very low	39.9	Very low	135 Å²	135	150.7 Å²	150.7	88%	0.877	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-72.4	136.5	174.4	30.4	-34.1	0	0	0	111.5
156	K	45.1	Very low	39.3	Very low	159 Å²	159	156.8 Å²	156.8	69%	0.691	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-90.1	148.3	-171.9	-63.7	178.1	177.7	71.9	0	113	E153	E153-K156 IonicContact OE1-NZ 3.52Å; E153-K156 PolarHBondContact OE1-NZ 2.98Å; E153-K156 IonicContact OE2-NZ 3.19Å
157	T	34.4	Very low	39.2	Very low	141 Å²	141	152.7 Å²	152.7	87%	0.865	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-49.1	137.1	-178.9	54.2	0	0	0	0	115.4
158	A	40	Very low	39.7	Very low	103 Å²	103	154.5 Å²	154.5	85%	0.851	81%	0.807	S	S	*	*			trans	-140.4	114.6	165.5	0	0	0	0	0	112.2
159	Q	40.2	Very low	39.7	Very low	181 Å²	181	149.6 Å²	149.6	85%	0.846	80%	0.797	S	S	*	*			trans	-73.9	150	-173.2	-55.5	160.2	-2.6	0	0	113.3
160	K	41.2	Very low	40	Very low	211 Å²	211	151.6 Å²	151.6	92%	0.917	80%	0.802	S	S	*	*			trans	-154.8	146.9	142.4	-119.2	164.6	-172.3	173.4	0	113.5
161	K	34.2	Very low	39.8	Very low	186 Å²	186	158.4 Å²	158.4	81%	0.809	82%	0.816	S	S	*	*			trans	-104.2	133.4	-171.6	-57	172.8	-179.6	177.5	0	111.6
162	L	39	Very low	39.6	Very low	168 Å²	168	154.3 Å²	154.3	88%	0.88	81%	0.808	S	S	*	*			trans	-134.1	112.8	147	-73.3	95.6	0	0	0	106.7
163	K	35.5	Very low	39.7	Very low	194 Å²	194	154.5 Å²	154.5	84%	0.843	81%	0.812	S	S	*	*				70.3	82.1	75.1	-81.1	-160.6	168.2	-172.5	0	113.9
164	L	30	Very low	39.8	Very low	159 Å²	159	151.2 Å²	151.2	83%	0.832	80%	0.804	S	S	*	*			trans	-36.3	131	159.3	-173.9	75.9	0	0	0	113.8
165	V	37.3	Very low	39.7	Very low	126 Å²	126	153 Å²	153	76%	0.764	81%	0.812	S	S	*	*			trans	-130	140.2	160.1	176.2	0	0	0	0	107.7
166	R	34	Very low	39.6	Very low	225 Å²	225	151.1 Å²	151.1	85%	0.849	80%	0.798	S	S	*	*			trans	-98.8	125.1	179.5	-71.4	163.2	57.5	-176.7	-1.1	110
167	T	41.2	Very low	39.2	Very low	135 Å²	135	149.3 Å²	149.3	83%	0.828	80%	0.801	S	S	*	*			trans	-136.5	143.8	160.2	37.5	0	0	0	0	109
168	S	47.8	Very low	39.9	Very low	110 Å²	110	151 Å²	151	77%	0.769	80%	0.796	S	S	*	*			trans	-77	153.9	-168.7	-52.1	0	0	0	0	113	E170	S168-E170 PolarHBondContact O-N 3.01Å
169	P	42.4	Very low	39.9	Very low	118 Å²	118	149.9 Å²	149.9	77%	0.766	80%	0.795	S	S	*	*			trans	-77.3	113.8	166.7	31.3	-31.4	0	0	0	110.2
170	E	44.1	Very low	40.4	Very low	189 Å²	189	146.3 Å²	146.3	88%	0.883	79%	0.79	S	S	*	*			trans	-79.8	133	161.9	-70.9	-171	115.9	0	0	109.5	S168 G172	S168-E170 PolarHBondContact O-N 3.01Å; E170-G172 PolarHBondContact O-N 3.23Å
171	Y	37	Very low	40.9	Very low	229 Å²	229	140.1 Å²	140.1	90%	0.898	77%	0.77	S	S	*	*			trans	-74.1	86.2	176.7	-99.4	-105.8	0	0	0	110.3
172	G	39.2	Very low	41.8	Very low	61 Å²	61	133.5 Å²	133.5	63%	0.629	74%	0.742	S	S	*	*			trans	-118.7	115.4	168.9	0	0	0	0	0	110.6	E170 P174	E170-G172 PolarHBondContact O-N 3.23Å; G172-P174 VanDerWaalsContact O-CD 3.23Å; G172-P174 WeakPolarHBondContact O-CD 3.27Å
173	M	40.9	Very low	42.4	Very low	182 Å²	182	128 Å²	128	90%	0.897	72%	0.716	S	S	*	*			trans	-63.3	119	170.5	-105.9	-166.1	75	0	0	109.8	S175	M173-S175 PolarHBondContact O-N 3.46Å
174	P	42.8	Very low	43.2	Very low	91 Å²	91	121.7 Å²	121.7	59%	0.591	70%	0.696	S	S	*	*			trans	-73	121	163.6	30.4	-30.3	0	0	0	108.3	G172 V176	G172-P174 VanDerWaalsContact O-CD 3.23Å; G172-P174 WeakPolarHBondContact O-CD 3.27Å; P174-V176 VanDerWaalsContact C-N 3.26Å; P174-V176 HydrophobicContact CB-CG1 4.23Å; P174-V176 HydrophobicContact CG-CG1 4.2Å; P174-V176 PolarHBondContact O-N 2.99Å
175	S	42	Very low	44.5	Very low	111 Å²	111	120 Å²	120	78%	0.776	69%	0.688	S	S	*	*			trans	-70.1	89.3	166.1	-172.7	0	0	0	0	108.1	M173 T177	M173-S175 PolarHBondContact O-N 3.46Å; S175-T177 PolarHBondContact O-N 3.16Å
176	V	42.7	Very low	45.4	Very low	94 Å²	94	118.7 Å²	118.7	57%	0.57	68%	0.68	S	S	*	*			trans	-71.1	93.7	-172.7	-78.4	0	0	0	0	111.3	P174 F178	P174-V176 VanDerWaalsContact C-N 3.26Å; P174-V176 HydrophobicContact CB-CG1 4.23Å; P174-V176 HydrophobicContact CG-CG1 4.2Å; P174-V176 PolarHBondContact O-N 2.99Å; V176-F178 VanDerWaalsContact C-N 3.31Å; V176-F178 HydrophobicContact CB-CD2 4.28Å; V176-F178 HydrophobicContact CB-CE2 4.22Å; V176-F178 HydrophobicContact CG2-CD2 4.01Å; V176-F178 HydrophobicContact CG2-CE2 3.63Å; V176-F178 WeakPolarHBondContact O-CD2 3.35Å; V176-F178 PolarHBondContact O-N 3.23Å
177	T	37.7	Very low	46.1	Very low	122 Å²	122	113 Å²	113	75%	0.748	67%	0.666	S	S	*	*			trans	-68.7	89	165.5	49.4	0	0	0	0	109.5	S175 G179	S175-T177 PolarHBondContact O-N 3.16Å; T177-G179 PolarHBondContact O-N 2.92Å
178	F	49.1	Very low	47.1	Very low	175 Å²	175	115 Å²	115	77%	0.768	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-56.5	-1.7	-177	-94.2	-88.3	0	0	0	116.6	V176 S180	V176-F178 VanDerWaalsContact C-N 3.31Å; V176-F178 HydrophobicContact CB-CD2 4.28Å; V176-F178 HydrophobicContact CB-CE2 4.22Å; V176-F178 HydrophobicContact CG2-CD2 4.01Å; V176-F178 HydrophobicContact CG2-CE2 3.63Å; V176-F178 WeakPolarHBondContact O-CD2 3.35Å; V176-F178 PolarHBondContact O-N 3.23Å; F178-S180 PolarHBondContact O-N 3.23Å
179	G	40.4	Very low	47.8	Very low	81 Å²	81	113.7 Å²	113.7	84%	0.835	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-86.2	9.6	-170.4	0	0	0	0	0	117.3	T177	T177-G179 PolarHBondContact O-N 2.92Å
180	S	50.4	Low	49	Very low	105 Å²	105	112.1 Å²	112.1	73%	0.734	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-145.5	14.6	-173.8	-168	0	0	0	0	115.6	F178	F178-S180 PolarHBondContact O-N 3.23Å
181	V	51.4	Low	49.8	Very low	82 Å²	82	106.5 Å²	106.5	50%	0.497	62%	0.623	S	S	.	*			trans	-89.2	123.8	179.6	-155.4	0	0	0	0	109.3	D185 V186	V181-D185 HydrophobicContact CG1-CB 4.24Å; V181-V186 HydrophobicContact CB-CG2 4.34Å; V181-V186 HydrophobicContact CG1-CG2 3.37Å
182	H	53	Low	51.2	Low	47 Å²	47	98.4 Å²	98.4	22%	0.218	60%	0.595	C	S	.	*			trans	-71.8	145.5	176.7	-157.7	-102.2	0	0	0	109.4	S184 D185 Q203 Y206	H182-S184 PolarHBondContact CE1-OG 2.87Å; H182-S184 VanDerWaalsContact CE1-OG 3.3Å; H182-S184 WeakPolarHBondContact ND1-CB 3.42Å; H182-S184 PolarHBondContact ND1-OG 2.74Å; H182-S184 PolarHBondContact O-N 2.86Å; H182-D185 HydrophobicContact CB-CB 4.29Å; H182-D185 WeakPolarHBondContact CB-OD2 3.4Å; H182-D185 PolarHBondContact N-OD2 3.32Å; H182-D185 WeakPolarHBondContact O-CB 3.33Å; H182-D185 PolarHBondContact O-N 2.73Å; H182-Q203 PolarHBondContact CE1-OE1 3.43Å; H182-Y206 AromaticContact CD2-CE1 3.93Å; H182-Y206 AromaticContact CD2-CZ 3.53Å; H182-Y206 PolarHBondContact CD2-OH 3.12Å; H182-Y206 AromaticContact NE2-CE1 3.53Å; H182-Y206 AromaticContact NE2-CZ 3.52Å; H182-Y206 PolarHBondContact NE2-OH 2.85Å
183	P	51.7	Low	52.8	Low	53 Å²	53	100.8 Å²	100.8	34%	0.344	60%	0.599	S	S	.	*	H	α-helix	trans	-54.7	-40.3	177.2	-26.8	35	0	0	0	112.7	D185 V186 L187 Y206	P183-D185 VanDerWaalsContact C-N 3.26Å; P183-D185 PolarHBondContact O-N 3.14Å; P183-V186 PolarHBondContact O-N 3.44Å; P183-L187 PolarHBondContact O-N 3.04Å; P183-Y206 HydrophobicContact CG-CD1 3.6Å; P183-Y206 HydrophobicContact CG-CD2 4.25Å; P183-Y206 HydrophobicContact CG-CE1 4.34Å; P183-Y206 HydrophobicContact CG-CG 3.56Å
184	S	52.9	Low	54.2	Low	61 Å²	61	96.8 Å²	96.8	43%	0.427	58%	0.581	S	S	.	*	H	α-helix	trans	-68.2	-15.4	177.1	-31.5	0	0	0	0	114.9	H182	H182-S184 PolarHBondContact CE1-OG 2.87Å; H182-S184 VanDerWaalsContact CE1-OG 3.3Å; H182-S184 WeakPolarHBondContact ND1-CB 3.42Å; H182-S184 PolarHBondContact ND1-OG 2.74Å; H182-S184 PolarHBondContact O-N 2.86Å
185	D	56	Low	55.8	Low	122 Å²	122	96.1 Å²	96.1	65%	0.652	57%	0.57	S	S	*	*	H	α-helix	trans	-84.8	-14.9	178.1	-65.9	-30.8	0	0	0	112.2	V181 H182 P183	V181-D185 HydrophobicContact CG1-CB 4.24Å; H182-D185 HydrophobicContact CB-CB 4.29Å; H182-D185 WeakPolarHBondContact CB-OD2 3.4Å; H182-D185 PolarHBondContact N-OD2 3.32Å; H182-D185 WeakPolarHBondContact O-CB 3.33Å; H182-D185 PolarHBondContact O-N 2.73Å; P183-D185 VanDerWaalsContact C-N 3.26Å; P183-D185 PolarHBondContact O-N 3.14Å
186	V	56.9	Low	57.7	Low	100 Å²	100	94.2 Å²	94.2	61%	0.606	56%	0.555	S	S	*	*	H	α-helix	trans	-107.1	-33.6	-175.6	-175	0	0	0	0	112.2	V181 P183	V181-V186 HydrophobicContact CB-CG2 4.34Å; V181-V186 HydrophobicContact CG1-CG2 3.37Å; P183-V186 PolarHBondContact O-N 3.44Å
187	L	49.5	Very low	59.9	Low	105 Å²	105	93.4 Å²	93.4	55%	0.55	55%	0.551	S	S	.	*			trans	-129.8	119.8	-172.2	-59.1	175.6	0	0	0	110.9	P183 M189	P183-L187 PolarHBondContact O-N 3.04Å; L187-M189 HydrophobicContact CB-CB 4.06Å; L187-M189 PolarHBondContact O-N 3.37Å
188	D	61.7	Low	62.3	Low	177 Å²	177	90.6 Å²	90.6	95%	0.947	53%	0.527	S	S	*	.			trans	-76.1	54.6	163	-169.4	28.4	0	0	0	109.7
189	M	62.8	Low	64.3	Low	82 Å²	82	82.3 Å²	82.3	40%	0.404	49%	0.49	S	S	.	.			trans	-105.1	128.8	178.3	-158.9	68.7	83.3	0	0	108	Y90 L187 V191	Y90-M189 HydrophobicContact CD1-CE 4.02Å; Y90-M189 HydrophobicContact CD1-SD 3.72Å; Y90-M189 HydrophobicContact CD2-CE 3.85Å; Y90-M189 HydrophobicContact CD2-SD 4.27Å; Y90-M189 HydrophobicContact CE1-CE 4.11Å; Y90-M189 HydrophobicContact CE1-CG 4.14Å; Y90-M189 HydrophobicContact CE1-SD 3.3Å; Y90-M189 WeakPolarHBondContact CE1-SD 3.48Å; Y90-M189 HydrophobicContact CE2-CE 3.93Å; Y90-M189 HydrophobicContact CE2-CG 4.03Å; Y90-M189 HydrophobicContact CE2-SD 3.9Å; Y90-M189 HydrophobicContact CG-CE 3.9Å; Y90-M189 HydrophobicContact CG-SD 4.19Å; Y90-M189 WeakPolarHBondContact OH-CG 3.45Å; L187-M189 HydrophobicContact CB-CB 4.06Å; L187-M189 PolarHBondContact O-N 3.37Å; M189-V191 PolarHBondContact O-N 3.05Å
190	P	66.7	Low	66.6	Low	85 Å²	85	81.3 Å²	81.3	55%	0.552	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-61.5	126	176.9	25.9	-33.7	0	0	0	109.5	D192	P190-D192 PolarHBondContact O-N 2.88Å
191	V	61.9	Low	68.4	Low	72 Å²	72	78.6 Å²	78.6	44%	0.436	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-57.4	129.1	169.3	176.9	0	0	0	0	108	M189 P193 V204	M189-V191 PolarHBondContact O-N 3.05Å; V191-P193 WeakPolarHBondContact O-CD 3.34Å; V191-V204 HydrophobicContact CG1-CG1 3.52Å
192	D	65.7	Low	70.1	Confident	59 Å²	59	79.9 Å²	79.9	32%	0.316	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-59	121.4	179.8	-176.7	-13.5	0	0	0	109.5	P190 N194 E195	P190-D192 PolarHBondContact O-N 2.88Å; D192-N194 PolarHBondContact O-N 3.11Å; D192-N194 WeakPolarHBondContact OD1-CB 3.36Å; D192-N194 PolarHBondContact OD1-N 2.98Å; D192-E195 HydrophobicContact CB-CB 4.14Å; D192-E195 PolarHBondContact O-N 3.27Å
193	P	72.3	Confident	71.5	Confident	110 Å²	110	80.1 Å²	80.1	71%	0.714	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-19.6	176.5	-26.1	35.9	0	0	0	114.7	V191	V191-P193 WeakPolarHBondContact O-CD 3.34Å
194	N	71.1	Confident	73.2	Confident	98 Å²	98	78.3 Å²	78.3	52%	0.524	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-11.3	179	-59.8	-24.4	0	0	0	113.3	D101 D192	D101-N194 PolarHBondContact OD1-ND2 3.4Å; D101-N194 PolarHBondContact OD2-ND2 3.28Å; D192-N194 PolarHBondContact O-N 3.11Å; D192-N194 WeakPolarHBondContact OD1-CB 3.36Å; D192-N194 PolarHBondContact OD1-N 2.98Å
195	E	77	Confident	74.7	Confident	77 Å²	77	78.4 Å²	78.4	36%	0.36	44%	0.437	S	S	.	.	S	Bend	trans	-77.5	127.2	-179.8	-166.1	178	178.1	0	0	111.1	D192 T197 V204	D192-E195 HydrophobicContact CB-CB 4.14Å; D192-E195 PolarHBondContact O-N 3.27Å; E195-T197 PolarHBondContact O-N 2.82Å; E195-V204 HydrophobicContact CB-CG1 3.83Å; E195-V204 VanDerWaalsContact CD-CB 3.47Å; E195-V204 VanDerWaalsContact CD-CG1 3.45Å; E195-V204 HydrophobicContact CG-CB 4.07Å; E195-V204 HydrophobicContact CG-CG1 3.66Å; E195-V204 WeakPolarHBondContact OE1-CB 3.49Å; E195-V204 WeakPolarHBondContact OE2-CG1 3.4Å
196	P	81.8	Confident	76.2	Confident	71 Å²	71	74.7 Å²	74.7	46%	0.461	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-64	129	-178	24.7	-34.2	0	0	0	111.9	Y198	P196-Y198 HydrophobicContact CB-CE1 4.48Å; P196-Y198 HydrophobicContact CB-CE2 4.09Å; P196-Y198 HydrophobicContact CG-CE2 3.92Å; P196-Y198 WeakPolarHBondContact CG-OH 3.23Å; P196-Y198 VanDerWaalsContact O-CD2 3.31Å; P196-Y198 WeakPolarHBondContact O-CD2 3.22Å; P196-Y198 VanDerWaalsContact O-CE2 3.25Å; P196-Y198 WeakPolarHBondContact O-CE2 3.5Å
197	T	87.4	Confident	77.6	Confident	77 Å²	77	73.7 Å²	73.7	47%	0.472	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-90	138.3	175.7	54.5	0	0	0	0	111.8	E195 V204	E195-T197 PolarHBondContact O-N 2.82Å; T197-V204 HydrophobicContact CG2-CG1 4.45Å
198	Y	88.5	Confident	79.5	Confident	64 Å²	64	74.2 Å²	74.2	25%	0.251	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-124.6	178.8	-175.1	-59.9	-71.9	0	0	0	111.3	P196 H202 Q203 M209 W221	P196-Y198 HydrophobicContact CB-CE1 4.48Å; P196-Y198 HydrophobicContact CB-CE2 4.09Å; P196-Y198 HydrophobicContact CG-CE2 3.92Å; P196-Y198 WeakPolarHBondContact CG-OH 3.23Å; P196-Y198 VanDerWaalsContact O-CD2 3.31Å; P196-Y198 WeakPolarHBondContact O-CD2 3.22Å; P196-Y198 VanDerWaalsContact O-CE2 3.25Å; P196-Y198 WeakPolarHBondContact O-CE2 3.5Å; Y198-H202 WeakPolarHBondContact O-CA 3.34Å; Y198-H202 PolarHBondContact O-N 2.93Å; Y198-Q203 PolarHBondContact N-O 2.9Å; Y198-Q203 PolarHBondContact O-N 3.43Å; Y198-Q203 VanDerWaalsContact O-N 3.14Å; Y198-M209 HydrophobicContact CD2-CE 4.21Å; Y198-M209 HydrophobicContact CG-CE 4.1Å; Y198-W221 HydrophobicContact CD1-CB 3.84Å; Y198-W221 HydrophobicContact CD1-CG 4.38Å; Y198-W221 HydrophobicContact CE1-CB 4.44Å; Y198-W221 HydrophobicContact CG-CB 4.19Å
199	C	90.7	Very high	81	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	-177.9	173.5	-161.8	0	0	0	0	115	C201 I219 W221 F222 H223 C226	C199-C201 VanDerWaalsContact C-N 3.26Å; C199-C201 PolarHBondContact O-N 3.21Å; C199-I219 VanDerWaalsContact N-CG2 3.29Å; C199-W221 VanDerWaalsContact CA-O 3.25Å; C199-W221 WeakPolarHBondContact CA-O 3.34Å; C199-W221 PolarHBondContact N-O 3.3Å; C199-F222 HydrophobicContact CB-CD1 4.36Å; C199-H223 VanDerWaalsContact CB-CE1 3.42Å; C199-H223 WeakPolarHBondContact CB-CE1 3.36Å; C199-H223 WeakPolarHBondContact CB-ND1 3.41Å; C199-H223 PolarHBondContact SG-N 2.96Å; C199-H223 VanDerWaalsContact SG-N 3.4Å; C199-H223 PolarHBondContact SG-ND1 3.37Å; C199-C226 WeakPolarHBondContact SG-CB 3.28Å
200	L	88.6	Confident	82.5	Confident	61 Å²	61	64.8 Å²	64.8	32%	0.319	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-16.5	176.2	-62.2	174.9	0	0	0	113.1	I219 F222 P240 R241	L200-I219 HydrophobicContact CD2-CD1 4.18Å; L200-F222 HydrophobicContact CD2-CE1 3.93Å; L200-F222 HydrophobicContact CG-CD1 4.05Å; L200-F222 HydrophobicContact CG-CE1 3.84Å; L200-P240 HydrophobicContact CD1-CB 4.49Å; L200-P240 HydrophobicContact CD1-CG 4.16Å; L200-R241 HydrophobicContact CD2-CG 4.42Å
201	C	89.7	Confident	83.7	Confident	47 Å²	47	61.9 Å²	61.9	32%	0.318	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-8.2	177.9	56.9	0	0	0	0	113.7	C199 Q203	C199-C201 VanDerWaalsContact C-N 3.26Å; C199-C201 PolarHBondContact O-N 3.21Å; C201-Q203 HydrophobicContact CB-CG 4.07Å
202	H	85.7	Confident	85.3	Confident	109 Å²	109	59.2 Å²	59.2	51%	0.505	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	55.5	-174.3	-62.7	-81.3	0	0	0	111.9	Y198	Y198-H202 WeakPolarHBondContact O-CA 3.34Å; Y198-H202 PolarHBondContact O-N 2.93Å
203	Q	82.9	Confident	86.6	Confident	52 Å²	52	59.6 Å²	59.6	24%	0.243	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-125.8	156.6	178.8	-64.5	-66.6	-82.8	0	0	110.2	H182 Y198 C201 Y206	H182-Q203 PolarHBondContact CE1-OE1 3.43Å; Y198-Q203 PolarHBondContact N-O 2.9Å; Y198-Q203 PolarHBondContact O-N 3.43Å; Y198-Q203 VanDerWaalsContact O-N 3.14Å; C201-Q203 HydrophobicContact CB-CG 4.07Å; Q203-Y206 HydrophobicContact CB-CE1 4.07Å
204	V	86.8	Confident	87.4	Confident	16 Å²	16	55.9 Å²	55.9	10%	0.097	32%	0.319	C	S	.	.			trans	-60.9	168.5	178.4	-61.8	0	0	0	0	112.9	V191 E195 T197 Y206 H223	V191-V204 HydrophobicContact CG1-CG1 3.52Å; E195-V204 HydrophobicContact CB-CG1 3.83Å; E195-V204 VanDerWaalsContact CD-CB 3.47Å; E195-V204 VanDerWaalsContact CD-CG1 3.45Å; E195-V204 HydrophobicContact CG-CB 4.07Å; E195-V204 HydrophobicContact CG-CG1 3.66Å; E195-V204 WeakPolarHBondContact OE1-CB 3.49Å; E195-V204 WeakPolarHBondContact OE2-CG1 3.4Å; T197-V204 HydrophobicContact CG2-CG1 4.45Å; V204-Y206 VanDerWaalsContact O-CD1 3.31Å; V204-Y206 WeakPolarHBondContact O-CD1 3.4Å; V204-Y206 PolarHBondContact O-N 3.44Å; V204-H223 PolarHBondContact O-NE2 2.73Å
205	S	85.9	Confident	88.2	Confident	63 Å²	63	56.8 Å²	56.8	44%	0.441	33%	0.331	S	S	.	.			trans	-68.2	123.1	-178.6	48.5	0	0	0	0	112.5	M209	S205-M209 VanDerWaalsContact CA-SD 3.52Å; S205-M209 WeakPolarHBondContact CB-SD 3.5Å
206	Y	85.5	Confident	88.8	Confident	44 Å²	44	59.7 Å²	59.7	17%	0.173	35%	0.349	C	S	.	.			trans	-147.5	150.7	176.2	66.9	-105.4	0	0	0	112.8	H182 P183 Q203 V204 H223	H182-Y206 AromaticContact CD2-CE1 3.93Å; H182-Y206 AromaticContact CD2-CZ 3.53Å; H182-Y206 PolarHBondContact CD2-OH 3.12Å; H182-Y206 AromaticContact NE2-CE1 3.53Å; H182-Y206 AromaticContact NE2-CZ 3.52Å; H182-Y206 PolarHBondContact NE2-OH 2.85Å; P183-Y206 HydrophobicContact CG-CD1 3.6Å; P183-Y206 HydrophobicContact CG-CD2 4.25Å; P183-Y206 HydrophobicContact CG-CE1 4.34Å; P183-Y206 HydrophobicContact CG-CG 3.56Å; Q203-Y206 HydrophobicContact CB-CE1 4.07Å; V204-Y206 VanDerWaalsContact O-CD1 3.31Å; V204-Y206 WeakPolarHBondContact O-CD1 3.4Å; V204-Y206 PolarHBondContact O-N 3.44Å; Y206-H223 AromaticContact CD1-CD2 3.51Å; Y206-H223 AromaticContact CD1-NE2 3.3Å; Y206-H223 VanDerWaalsContact CD1-NE2 3.3Å; Y206-H223 WeakPolarHBondContact CD1-NE2 3.47Å; Y206-H223 AromaticContact CD2-CD2 3.72Å; Y206-H223 AromaticContact CE1-CD2 3.48Å; Y206-H223 VanDerWaalsContact CE1-CD2 3.48Å; Y206-H223 WeakPolarHBondContact CE1-CD2 3.27Å; Y206-H223 AromaticContact CE1-CE1 3.7Å; Y206-H223 AromaticContact CE1-CG 4Å; Y206-H223 AromaticContact CE1-NE2 3.27Å; Y206-H223 VanDerWaalsContact CE1-NE2 3.27Å; Y206-H223 WeakPolarHBondContact CE1-NE2 3.47Å; Y206-H223 HydrophobicContact CE2-CB 4.13Å; Y206-H223 AromaticContact CE2-CD2 3.66Å; Y206-H223 AromaticContact CE2-CG 3.95Å; Y206-H223 AromaticContact CG-CD2 3.63Å; Y206-H223 AromaticContact CG-NE2 3.88Å; Y206-H223 AromaticContact CZ-CD2 3.53Å; Y206-H223 AromaticContact CZ-CG 3.71Å; Y206-H223 AromaticContact CZ-NE2 3.8Å; Y206-H223 PolarHBondContact O-CD2 3.44Å
207	G	86.4	Confident	89.2	Confident	78 Å²	78	56.8 Å²	56.8	80%	0.804	33%	0.33	S	S	*	.	S	Bend	trans	58.2	-148	177.4	0	0	0	0	0	113.8
208	E	91.2	Very high	89.2	Confident	116 Å²	116	58.3 Å²	58.3	54%	0.542	34%	0.344	S	S	.	.	S	Bend	trans	-78.8	130.9	172.3	-67.4	-166.2	106.8	0	0	111.3	F224	E208-F224 HydrophobicContact CB-CB 4.12Å; E208-F224 HydrophobicContact CB-CD1 3.73Å; E208-F224 HydrophobicContact CB-CD2 3.55Å; E208-F224 HydrophobicContact CB-CE1 3.9Å; E208-F224 HydrophobicContact CB-CE2 3.73Å; E208-F224 HydrophobicContact CB-CG 3.55Å; E208-F224 HydrophobicContact CB-CZ 3.9Å; E208-F224 HydrophobicContact CG-CD2 4.27Å; E208-F224 HydrophobicContact CG-CE2 4.2Å; E208-F224 WeakPolarHBondContact O-CD1 3.49Å; E208-F224 PolarHBondContact O-N 3.41Å; E208-F224 VanDerWaalsContact OE2-CD2 3.23Å; E208-F224 WeakPolarHBondContact OE2-CD2 3.48Å; E208-F224 WeakPolarHBondContact OE2-CE2 3.39Å
209	M	92.7	Very high	89.1	Confident	43 Å²	43	56.5 Å²	56.5	21%	0.212	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	150.8	177.4	-61.3	-173	79.5	0	0	112.1	Y198 S205 W221 F222	Y198-M209 HydrophobicContact CD2-CE 4.21Å; Y198-M209 HydrophobicContact CG-CE 4.1Å; S205-M209 VanDerWaalsContact CA-SD 3.52Å; S205-M209 WeakPolarHBondContact CB-SD 3.5Å; M209-W221 HydrophobicContact CB-CE3 4.32Å; M209-W221 HydrophobicContact CE-CB 3.95Å; M209-F222 CarbonylContact C-O 3.55Å; M209-F222 VanDerWaalsContact CA-O 3.28Å; M209-F222 WeakPolarHBondContact CA-O 3.36Å
210	I	93.2	Very high	89.2	Confident	18 Å²	18	61.9 Å²	61.9	9%	0.092	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.5	178	-170.6	159.1	0	0	0	111.4	W221 F222 F224 V227 L229 P233 W237	I210-W221 CarbonylContact O-C 3.59Å; I210-W221 WeakPolarHBondContact O-CA 3.38Å; I210-F222 HydrophobicContact CG2-CB 4.2Å; I210-F222 PolarHBondContact N-O 2.87Å; I210-F222 PolarHBondContact O-N 3.47Å; I210-F224 HydrophobicContact CB-CD1 4.25Å; I210-F224 HydrophobicContact CB-CE1 3.88Å; I210-F224 HydrophobicContact CG2-CD1 4.4Å; I210-F224 HydrophobicContact CG2-CE1 4.5Å; I210-V227 HydrophobicContact CG2-CG2 4.22Å; I210-L229 HydrophobicContact CB-CD1 4.33Å; I210-L229 HydrophobicContact CD1-CD1 3.74Å; I210-L229 HydrophobicContact CG2-CD1 3.78Å; I210-P233 HydrophobicContact CD1-CG 3.43Å; I210-P233 VanDerWaalsContact CD1-CG 3.43Å; I210-W237 HydrophobicContact CB-CE3 4.39Å; I210-W237 HydrophobicContact CB-CZ3 4.48Å; I210-W237 HydrophobicContact CD1-CB 3.66Å; I210-W237 HydrophobicContact CD1-CD2 3.62Å; I210-W237 HydrophobicContact CD1-CE3 3.94Å; I210-W237 HydrophobicContact CD1-CG 3.49Å; I210-W237 VanDerWaalsContact CD1-CG 3.49Å; I210-W237 HydrophobicContact CG1-CB 4.41Å; I210-W237 HydrophobicContact CG1-CD2 3.96Å; I210-W237 HydrophobicContact CG1-CE3 3.72Å; I210-W237 HydrophobicContact CG1-CG 4.27Å; I210-W237 HydrophobicContact CG1-CZ3 4.27Å; I210-W237 HydrophobicContact CG2-CD2 4.13Å; I210-W237 HydrophobicContact CG2-CE3 3.86Å; I210-W237 HydrophobicContact CG2-CH2 3.63Å; I210-W237 HydrophobicContact CG2-CZ2 3.93Å; I210-W237 HydrophobicContact CG2-CZ3 3.61Å
211	G	93.3	Very high	89.4	Confident	24 Å²	24	64.4 Å²	64.4	25%	0.247	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	142	170	0	0	0	0	0	111.7	E220	G211-E220 CarbonylContact C-O 3.53Å; G211-E220 WeakPolarHBondContact CA-O 3.39Å
212	C	94	Very high	89.6	Confident	17 Å²	17	62.2 Å²	62.2	12%	0.115	35%	0.353	C	S	.	.			trans	-81.6	123.9	174.7	-173.3	0	0	0	0	111.2	N214 C217 E220 F222 W237 C239	C212-N214 PolarHBondContact O-N 2.85Å; C212-C217 HydrophobicContact CB-CB 4.05Å; C212-C217 VanDerWaalsContact SG-SG 3.67Å; C212-E220 WeakPolarHBondContact CB-O 3.03Å; C212-E220 PolarHBondContact N-O 2.62Å; C212-F222 HydrophobicContact CB-CE2 4.06Å; C212-W237 HydrophobicContact CB-CE3 4.43Å; C212-W237 HydrophobicContact CB-CZ3 4.1Å; C212-C239 HydrophobicContact CB-CB 4.28Å; C212-C239 PolarHBondContact SG-N 2.76Å
213	D	93.2	Very high	89.9	Confident	67 Å²	67	57 Å²	57	36%	0.358	33%	0.33	S	S	.	.	S	Bend	trans	-69.1	13.2	177.6	-80.5	-85.4	0	0	0	114.8	K236 W237 F238	D213-K236 HydrophobicContact CB-CB 3.98Å; D213-K236 HydrophobicContact CB-CD 4.11Å; D213-K236 HydrophobicContact CB-CG 4.24Å; D213-K236 WeakPolarHBondContact OD2-CA 3.4Å; D213-K236 WeakPolarHBondContact OD2-CB 3.35Å; D213-W237 WeakPolarHBondContact CB-O 3.25Å; D213-W237 PolarHBondContact N-O 3.46Å; D213-W237 PolarHBondContact OD2-N 2.56Å; D213-F238 HydrophobicContact CB-CE1 3.97Å; D213-F238 HydrophobicContact CB-CE2 4.41Å; D213-F238 HydrophobicContact CB-CZ 3.91Å
214	N	89.6	Confident	90.4	Very high	31 Å²	31	55.3 Å²	55.3	17%	0.166	32%	0.321	C	S	.	.			trans	-100.3	115.7	173.7	-171	60	0	0	0	109.9	C212 D216 C217 F238 C242	C212-N214 PolarHBondContact O-N 2.85Å; N214-D216 PolarHBondContact O-N 3.36Å; N214-C217 HydrophobicContact CB-CB 4.25Å; N214-C217 WeakPolarHBondContact O-CB 3.49Å; N214-C217 PolarHBondContact O-N 3.11Å; N214-C217 VanDerWaalsContact O-N 3.07Å; N214-F238 HydrophobicContact CB-CD1 4.02Å; N214-F238 HydrophobicContact CB-CE1 4.15Å; N214-C242 HydrophobicContact CB-CB 4.02Å
215	P	87.8	Confident	90.5	Very high	118 Å²	118	58.2 Å²	58.2	77%	0.766	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.1	-177.9	27.5	-35.3	0	0	0	113.2	C217	P215-C217 VanDerWaalsContact C-N 3.28Å; P215-C217 PolarHBondContact O-N 3.08Å
216	D	89.2	Confident	90.6	Very high	138 Å²	138	57.6 Å²	57.6	74%	0.738	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	16.4	176.5	-45.1	-59	0	0	0	113	N214 S218	N214-D216 PolarHBondContact O-N 3.36Å; D216-S218 PolarHBondContact O-N 3.37Å
217	C	89.8	Confident	90.9	Very high	9 Å²	9	57 Å²	57	6%	0.061	34%	0.343	C	S	.	.			trans	-85.5	103.3	-174.4	-165.2	0	0	0	0	113	C212 N214 P215 I219 E220 C242	C212-C217 HydrophobicContact CB-CB 4.05Å; C212-C217 VanDerWaalsContact SG-SG 3.67Å; N214-C217 HydrophobicContact CB-CB 4.25Å; N214-C217 WeakPolarHBondContact O-CB 3.49Å; N214-C217 PolarHBondContact O-N 3.11Å; N214-C217 VanDerWaalsContact O-N 3.07Å; P215-C217 VanDerWaalsContact C-N 3.28Å; P215-C217 PolarHBondContact O-N 3.08Å; C217-I219 PolarHBondContact O-N 3.04Å; C217-E220 WeakPolarHBondContact O-CG 3.26Å; C217-E220 PolarHBondContact O-N 3.47Å; C217-E220 VanDerWaalsContact O-N 3.1Å; C217-C242 VanDerWaalsContact SG-SG 3.64Å
218	S	87.6	Confident	91	Very high	110 Å²	110	56.4 Å²	56.4	77%	0.769	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	5.4	-174.9	82	0	0	0	0	118.3	D216	D216-S218 PolarHBondContact O-N 3.37Å
219	I	87.6	Confident	90.9	Very high	25 Å²	25	52.5 Å²	52.5	13%	0.128	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-28.1	-178.4	-64.3	174.7	0	0	0	110.2	C199 L200 C217 W221 F222	C199-I219 VanDerWaalsContact N-CG2 3.29Å; L200-I219 HydrophobicContact CD2-CD1 4.18Å; C217-I219 PolarHBondContact O-N 3.04Å; I219-W221 WeakPolarHBondContact CG2-O 3.3Å; I219-W221 PolarHBondContact O-N 2.95Å; I219-F222 HydrophobicContact CB-CE1 4.25Å; I219-F222 HydrophobicContact CB-CE2 4.3Å; I219-F222 HydrophobicContact CB-CZ 3.69Å; I219-F222 HydrophobicContact CD1-CE1 4.21Å; I219-F222 HydrophobicContact CD1-CZ 4.28Å; I219-F222 HydrophobicContact CG2-CD1 4.41Å; I219-F222 HydrophobicContact CG2-CE1 3.77Å; I219-F222 HydrophobicContact CG2-CE2 4.1Å; I219-F222 HydrophobicContact CG2-CZ 3.59Å
220	E	91.4	Very high	90.6	Very high	113 Å²	113	56.3 Å²	56.3	53%	0.528	35%	0.345	S	S	.	.			trans	56.2	-59.3	-173.8	-58.4	-174.5	176.5	0	0	115.8	G211 C212 C217 F222	G211-E220 CarbonylContact C-O 3.53Å; G211-E220 WeakPolarHBondContact CA-O 3.39Å; C212-E220 WeakPolarHBondContact CB-O 3.03Å; C212-E220 PolarHBondContact N-O 2.62Å; C217-E220 WeakPolarHBondContact O-CG 3.26Å; C217-E220 PolarHBondContact O-N 3.47Å; C217-E220 VanDerWaalsContact O-N 3.1Å; E220-F222 WeakPolarHBondContact O-CD2 3.34Å; E220-F222 WeakPolarHBondContact O-CE2 3.45Å
221	W	93.6	Very high	90.3	Very high	114 Å²	114	60.1 Å²	60.1	43%	0.432	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.6	-167.7	-65.3	90.8	0	0	0	113.9	Y198 C199 M209 I210 I219	Y198-W221 HydrophobicContact CD1-CB 3.84Å; Y198-W221 HydrophobicContact CD1-CG 4.38Å; Y198-W221 HydrophobicContact CE1-CB 4.44Å; Y198-W221 HydrophobicContact CG-CB 4.19Å; C199-W221 VanDerWaalsContact CA-O 3.25Å; C199-W221 WeakPolarHBondContact CA-O 3.34Å; C199-W221 PolarHBondContact N-O 3.3Å; M209-W221 HydrophobicContact CB-CE3 4.32Å; M209-W221 HydrophobicContact CE-CB 3.95Å; I210-W221 CarbonylContact O-C 3.59Å; I210-W221 WeakPolarHBondContact O-CA 3.38Å; I219-W221 WeakPolarHBondContact CG2-O 3.3Å; I219-W221 PolarHBondContact O-N 2.95Å
222	F	94.2	Very high	90.1	Very high	1 Å²	1	67.1 Å²	67.1	0%	0.004	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	133.9	-175.3	-60	-96.2	0	0	0	111.3	C199 L200 M209 I210 C212 I219 E220 V227 W237 C239	C199-F222 HydrophobicContact CB-CD1 4.36Å; L200-F222 HydrophobicContact CD2-CE1 3.93Å; L200-F222 HydrophobicContact CG-CD1 4.05Å; L200-F222 HydrophobicContact CG-CE1 3.84Å; M209-F222 CarbonylContact C-O 3.55Å; M209-F222 VanDerWaalsContact CA-O 3.28Å; M209-F222 WeakPolarHBondContact CA-O 3.36Å; I210-F222 HydrophobicContact CG2-CB 4.2Å; I210-F222 PolarHBondContact N-O 2.87Å; I210-F222 PolarHBondContact O-N 3.47Å; C212-F222 HydrophobicContact CB-CE2 4.06Å; I219-F222 HydrophobicContact CB-CE1 4.25Å; I219-F222 HydrophobicContact CB-CE2 4.3Å; I219-F222 HydrophobicContact CB-CZ 3.69Å; I219-F222 HydrophobicContact CD1-CE1 4.21Å; I219-F222 HydrophobicContact CD1-CZ 4.28Å; I219-F222 HydrophobicContact CG2-CD1 4.41Å; I219-F222 HydrophobicContact CG2-CE1 3.77Å; I219-F222 HydrophobicContact CG2-CE2 4.1Å; I219-F222 HydrophobicContact CG2-CZ 3.59Å; E220-F222 WeakPolarHBondContact O-CD2 3.34Å; E220-F222 WeakPolarHBondContact O-CE2 3.45Å; F222-V227 HydrophobicContact CB-CG1 3.79Å; F222-V227 HydrophobicContact CD1-CG1 4.07Å; F222-V227 HydrophobicContact CG-CG1 4.18Å; F222-W237 HydrophobicContact CB-CH2 3.94Å; F222-W237 HydrophobicContact CB-CZ3 4.5Å; F222-W237 AromaticContact CD2-CH2 3.72Å; F222-W237 HydrophobicContact CD2-CH2 3.72Å; F222-W237 AromaticContact CD2-CZ3 3.72Å; F222-W237 HydrophobicContact CD2-CZ3 3.72Å; F222-W237 HydrophobicContact CE2-CH2 4.47Å; F222-W237 HydrophobicContact CE2-CZ3 4.35Å; F222-W237 AromaticContact CG-CH2 3.85Å; F222-W237 HydrophobicContact CG-CH2 3.85Å; F222-W237 HydrophobicContact CG-CZ3 4.3Å; F222-C239 HydrophobicContact CD1-CB 4.33Å; F222-C239 HydrophobicContact CD2-CB 3.88Å; F222-C239 HydrophobicContact CE1-CB 3.86Å; F222-C239 HydrophobicContact CE2-CB 3.37Å; F222-C239 HydrophobicContact CG-CB 4.36Å; F222-C239 HydrophobicContact CZ-CB 3.35Å
223	H	92.3	Very high	89.8	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.005	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	137.4	173.4	-42	87.8	0	0	0	110.7	C199 V204 Y206 A225 C226 V227	C199-H223 VanDerWaalsContact CB-CE1 3.42Å; C199-H223 WeakPolarHBondContact CB-CE1 3.36Å; C199-H223 WeakPolarHBondContact CB-ND1 3.41Å; C199-H223 PolarHBondContact SG-N 2.96Å; C199-H223 VanDerWaalsContact SG-N 3.4Å; C199-H223 PolarHBondContact SG-ND1 3.37Å; V204-H223 PolarHBondContact O-NE2 2.73Å; Y206-H223 AromaticContact CD1-CD2 3.51Å; Y206-H223 AromaticContact CD1-NE2 3.3Å; Y206-H223 VanDerWaalsContact CD1-NE2 3.3Å; Y206-H223 WeakPolarHBondContact CD1-NE2 3.47Å; Y206-H223 AromaticContact CD2-CD2 3.72Å; Y206-H223 AromaticContact CE1-CD2 3.48Å; Y206-H223 VanDerWaalsContact CE1-CD2 3.48Å; Y206-H223 WeakPolarHBondContact CE1-CD2 3.27Å; Y206-H223 AromaticContact CE1-CE1 3.7Å; Y206-H223 AromaticContact CE1-CG 4Å; Y206-H223 AromaticContact CE1-NE2 3.27Å; Y206-H223 VanDerWaalsContact CE1-NE2 3.27Å; Y206-H223 WeakPolarHBondContact CE1-NE2 3.47Å; Y206-H223 HydrophobicContact CE2-CB 4.13Å; Y206-H223 AromaticContact CE2-CD2 3.66Å; Y206-H223 AromaticContact CE2-CG 3.95Å; Y206-H223 AromaticContact CG-CD2 3.63Å; Y206-H223 AromaticContact CG-NE2 3.88Å; Y206-H223 AromaticContact CZ-CD2 3.53Å; Y206-H223 AromaticContact CZ-CG 3.71Å; Y206-H223 AromaticContact CZ-NE2 3.8Å; Y206-H223 PolarHBondContact O-CD2 3.44Å; H223-A225 VanDerWaalsContact C-N 3.34Å; H223-A225 PolarHBondContact O-N 3.45Å; H223-C226 HydrophobicContact CB-CB 4.29Å; H223-C226 PolarHBondContact O-N 2.88Å; H223-C226 VanDerWaalsContact O-N 3.1Å; H223-V227 PolarHBondContact O-N 3.14Å
224	F	92.4	Very high	89.4	Confident	16 Å²	16	77.1 Å²	77.1	7%	0.07	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-49.5	-177.5	-90.1	34.5	0	0	0	112.4	E208 I210 C226 V227 G228 L229 K232	E208-F224 HydrophobicContact CB-CB 4.12Å; E208-F224 HydrophobicContact CB-CD1 3.73Å; E208-F224 HydrophobicContact CB-CD2 3.55Å; E208-F224 HydrophobicContact CB-CE1 3.9Å; E208-F224 HydrophobicContact CB-CE2 3.73Å; E208-F224 HydrophobicContact CB-CG 3.55Å; E208-F224 HydrophobicContact CB-CZ 3.9Å; E208-F224 HydrophobicContact CG-CD2 4.27Å; E208-F224 HydrophobicContact CG-CE2 4.2Å; E208-F224 WeakPolarHBondContact O-CD1 3.49Å; E208-F224 PolarHBondContact O-N 3.41Å; E208-F224 VanDerWaalsContact OE2-CD2 3.23Å; E208-F224 WeakPolarHBondContact OE2-CD2 3.48Å; E208-F224 WeakPolarHBondContact OE2-CE2 3.39Å; I210-F224 HydrophobicContact CB-CD1 4.25Å; I210-F224 HydrophobicContact CB-CE1 3.88Å; I210-F224 HydrophobicContact CG2-CD1 4.4Å; I210-F224 HydrophobicContact CG2-CE1 4.5Å; F224-C226 PolarHBondContact O-N 3.36Å; F224-V227 CarbonylContact O-C 3.53Å; F224-V227 WeakPolarHBondContact O-CG2 3.46Å; F224-V227 PolarHBondContact O-N 2.9Å; F224-V227 VanDerWaalsContact O-N 3.17Å; F224-G228 PolarHBondContact O-N 2.72Å; F224-L229 CarbonylContact C-O 3.6Å; F224-L229 HydrophobicContact CB-CB 4.08Å; F224-L229 WeakPolarHBondContact CB-O 3.49Å; F224-L229 HydrophobicContact CD1-CB 4.41Å; F224-L229 HydrophobicContact CD1-CD1 4.37Å; F224-L229 HydrophobicContact CD2-CB 4.05Å; F224-L229 HydrophobicContact CG-CB 3.9Å; F224-L229 PolarHBondContact O-N 3.42Å; F224-K232 HydrophobicContact CZ-CB 4.27Å
225	A	89.6	Confident	89.4	Confident	76 Å²	76	78.9 Å²	78.9	63%	0.628	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-57.5	-44.4	178.9	0	0	0	0	0	112.7	H223 V227 G228	H223-A225 VanDerWaalsContact C-N 3.34Å; H223-A225 PolarHBondContact O-N 3.45Å; A225-V227 PolarHBondContact O-N 3Å; A225-G228 PolarHBondContact O-N 3.16Å
226	C	88.9	Confident	89.5	Confident	51 Å²	51	80.7 Å²	80.7	35%	0.345	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-68	-17.2	-179	-61.1	0	0	0	0	114.3	C199 H223 F224	C199-C226 WeakPolarHBondContact SG-CB 3.28Å; H223-C226 HydrophobicContact CB-CB 4.29Å; H223-C226 PolarHBondContact O-N 2.88Å; H223-C226 VanDerWaalsContact O-N 3.1Å; F224-C226 PolarHBondContact O-N 3.36Å
227	V	90.9	Very high	89.7	Confident	30 Å²	30	75.8 Å²	75.8	18%	0.182	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-113.8	9.6	174.8	-63.1	0	0	0	0	113.5	I210 F222 H223 F224 A225 L229 W237 P240	I210-V227 HydrophobicContact CG2-CG2 4.22Å; F222-V227 HydrophobicContact CB-CG1 3.79Å; F222-V227 HydrophobicContact CD1-CG1 4.07Å; F222-V227 HydrophobicContact CG-CG1 4.18Å; H223-V227 PolarHBondContact O-N 3.14Å; F224-V227 CarbonylContact O-C 3.53Å; F224-V227 WeakPolarHBondContact O-CG2 3.46Å; F224-V227 PolarHBondContact O-N 2.9Å; F224-V227 VanDerWaalsContact O-N 3.17Å; A225-V227 PolarHBondContact O-N 3Å; V227-L229 VanDerWaalsContact C-N 3.33Å; V227-L229 HydrophobicContact CG2-CB 4.37Å; V227-L229 HydrophobicContact CG2-CD1 3.8Å; V227-L229 HydrophobicContact CG2-CG 3.9Å; V227-L229 PolarHBondContact O-N 3Å; V227-W237 HydrophobicContact CB-CH2 4.47Å; V227-W237 HydrophobicContact CB-CZ2 3.92Å; V227-W237 HydrophobicContact CG1-CH2 4.1Å; V227-W237 HydrophobicContact CG1-CZ2 4.01Å; V227-W237 HydrophobicContact CG2-CH2 4.29Å; V227-W237 HydrophobicContact CG2-CZ2 3.79Å; V227-P240 HydrophobicContact CG1-CG 4.3Å
228	G	88.9	Confident	89.8	Confident	67 Å²	67	77.3 Å²	77.3	69%	0.691	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	24	177.7	0	0	0	0	0	114.8	F224 A225	F224-G228 PolarHBondContact O-N 2.72Å; A225-G228 PolarHBondContact O-N 3.16Å
229	L	88.6	Confident	90	Very high	34 Å²	34	72 Å²	72	18%	0.178	39%	0.391	C	S	.	.			trans	-90.5	145.3	171.6	-67.5	174	0	0	0	110.5	I210 F224 V227 P233	I210-L229 HydrophobicContact CB-CD1 4.33Å; I210-L229 HydrophobicContact CD1-CD1 3.74Å; I210-L229 HydrophobicContact CG2-CD1 3.78Å; F224-L229 CarbonylContact C-O 3.6Å; F224-L229 HydrophobicContact CB-CB 4.08Å; F224-L229 WeakPolarHBondContact CB-O 3.49Å; F224-L229 HydrophobicContact CD1-CB 4.41Å; F224-L229 HydrophobicContact CD1-CD1 4.37Å; F224-L229 HydrophobicContact CD2-CB 4.05Å; F224-L229 HydrophobicContact CG-CB 3.9Å; F224-L229 PolarHBondContact O-N 3.42Å; V227-L229 VanDerWaalsContact C-N 3.33Å; V227-L229 HydrophobicContact CG2-CB 4.37Å; V227-L229 HydrophobicContact CG2-CD1 3.8Å; V227-L229 HydrophobicContact CG2-CG 3.9Å; V227-L229 PolarHBondContact O-N 3Å; L229-P233 HydrophobicContact CD1-CG 4.34Å; L229-P233 HydrophobicContact CD2-CG 4.35Å
230	T	87	Confident	90	Very high	122 Å²	122	73.4 Å²	73.4	75%	0.748	40%	0.401	S	S	*	.	S	Bend	trans	-126.2	-5.8	172.9	55.9	0	0	0	0	112.9
231	T	87.6	Confident	89.9	Confident	98 Å²	98	73.7 Å²	73.7	60%	0.601	40%	0.397	S	S	*	.	S	Bend	trans	-153.3	154.5	177	50	0	0	0	0	108.8	P233	T231-P233 WeakPolarHBondContact O-CD 3.48Å
232	K	89	Confident	89.8	Confident	171 Å²	171	68.5 Å²	68.5	74%	0.743	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-62.8	117.4	176.7	-175.6	170.5	-177.1	167.8	0	110.9	F224	F224-K232 HydrophobicContact CZ-CB 4.27Å
233	P	87.3	Confident	89.5	Confident	43 Å²	43	70.6 Å²	70.6	28%	0.279	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-65.8	152.6	178.3	28.4	-34.6	0	0	0	111.1	I210 L229 T231 W237	I210-P233 HydrophobicContact CD1-CG 3.43Å; I210-P233 VanDerWaalsContact CD1-CG 3.43Å; L229-P233 HydrophobicContact CD1-CG 4.34Å; L229-P233 HydrophobicContact CD2-CG 4.35Å; T231-P233 WeakPolarHBondContact O-CD 3.48Å; P233-W237 HydrophobicContact CG-CB 4Å; P233-W237 HydrophobicContact CG-CG 4.09Å
234	R	84.3	Confident	89.2	Confident	251 Å²	251	76 Å²	76	95%	0.947	42%	0.419	S	S	*	.	S	Bend	trans	-94.6	130.3	179.2	-55.2	-167.8	78.4	174.7	5.3	110.7
235	G	88.7	Confident	88.9	Confident	69 Å²	69	80.6 Å²	80.6	71%	0.711	44%	0.44	S	S	*	.	S	Bend	trans	90.6	-161	-174.5	0	0	0	0	0	112
236	K	89.9	Confident	88.5	Confident	156 Å²	156	84 Å²	84	68%	0.678	44%	0.437	S	S	*	.			trans	-78.5	134.1	-177.9	-66.7	-164.1	169.2	-151.8	0	112.1	D213 F238	D213-K236 HydrophobicContact CB-CB 3.98Å; D213-K236 HydrophobicContact CB-CD 4.11Å; D213-K236 HydrophobicContact CB-CG 4.24Å; D213-K236 WeakPolarHBondContact OD2-CA 3.4Å; D213-K236 WeakPolarHBondContact OD2-CB 3.35Å; K236-F238 HydrophobicContact CB-CE2 3.78Å; K236-F238 HydrophobicContact CB-CZ 4.22Å; K236-F238 HydrophobicContact CD-CZ 4.39Å
237	W	93.3	Very high	88	Confident	34 Å²	34	89.6 Å²	89.6	13%	0.129	46%	0.455	C	S	.	.			trans	-113.2	142.6	176.7	-179.3	88.4	0	0	0	111.7	I210 C212 D213 F222 V227 P233 C239	I210-W237 HydrophobicContact CB-CE3 4.39Å; I210-W237 HydrophobicContact CB-CZ3 4.48Å; I210-W237 HydrophobicContact CD1-CB 3.66Å; I210-W237 HydrophobicContact CD1-CD2 3.62Å; I210-W237 HydrophobicContact CD1-CE3 3.94Å; I210-W237 HydrophobicContact CD1-CG 3.49Å; I210-W237 VanDerWaalsContact CD1-CG 3.49Å; I210-W237 HydrophobicContact CG1-CB 4.41Å; I210-W237 HydrophobicContact CG1-CD2 3.96Å; I210-W237 HydrophobicContact CG1-CE3 3.72Å; I210-W237 HydrophobicContact CG1-CG 4.27Å; I210-W237 HydrophobicContact CG1-CZ3 4.27Å; I210-W237 HydrophobicContact CG2-CD2 4.13Å; I210-W237 HydrophobicContact CG2-CE3 3.86Å; I210-W237 HydrophobicContact CG2-CH2 3.63Å; I210-W237 HydrophobicContact CG2-CZ2 3.93Å; I210-W237 HydrophobicContact CG2-CZ3 3.61Å; C212-W237 HydrophobicContact CB-CE3 4.43Å; C212-W237 HydrophobicContact CB-CZ3 4.1Å; D213-W237 WeakPolarHBondContact CB-O 3.25Å; D213-W237 PolarHBondContact N-O 3.46Å; D213-W237 PolarHBondContact OD2-N 2.56Å; F222-W237 HydrophobicContact CB-CH2 3.94Å; F222-W237 HydrophobicContact CB-CZ3 4.5Å; F222-W237 AromaticContact CD2-CH2 3.72Å; F222-W237 HydrophobicContact CD2-CH2 3.72Å; F222-W237 AromaticContact CD2-CZ3 3.72Å; F222-W237 HydrophobicContact CD2-CZ3 3.72Å; F222-W237 HydrophobicContact CE2-CH2 4.47Å; F222-W237 HydrophobicContact CE2-CZ3 4.35Å; F222-W237 AromaticContact CG-CH2 3.85Å; F222-W237 HydrophobicContact CG-CH2 3.85Å; F222-W237 HydrophobicContact CG-CZ3 4.3Å; V227-W237 HydrophobicContact CB-CH2 4.47Å; V227-W237 HydrophobicContact CB-CZ2 3.92Å; V227-W237 HydrophobicContact CG1-CH2 4.1Å; V227-W237 HydrophobicContact CG1-CZ2 4.01Å; V227-W237 HydrophobicContact CG2-CH2 4.29Å; V227-W237 HydrophobicContact CG2-CZ2 3.79Å; P233-W237 HydrophobicContact CG-CB 4Å; P233-W237 HydrophobicContact CG-CG 4.09Å; W237-C239 VanDerWaalsContact CH2-CA 3.43Å; W237-C239 HydrophobicContact CH2-CB 3.6Å; W237-C239 HydrophobicContact CZ2-CB 4.4Å; W237-C239 HydrophobicContact CZ3-CB 3.83Å
238	F	92.3	Very high	87.1	Confident	41 Å²	41	96.6 Å²	96.6	18%	0.18	48%	0.484	C	S	.	.			trans	-129.6	130.1	-178.8	-64	-87.8	0	0	0	109.2	D213 N214 K236 R246	D213-F238 HydrophobicContact CB-CE1 3.97Å; D213-F238 HydrophobicContact CB-CE2 4.41Å; D213-F238 HydrophobicContact CB-CZ 3.91Å; N214-F238 HydrophobicContact CB-CD1 4.02Å; N214-F238 HydrophobicContact CB-CE1 4.15Å; K236-F238 HydrophobicContact CB-CE2 3.78Å; K236-F238 HydrophobicContact CB-CZ 4.22Å; K236-F238 HydrophobicContact CD-CZ 4.39Å; F238-R246 VanDerWaalsContact CZ-NH1 3.31Å
239	C	91.8	Very high	85.5	Confident	0 Å²	0	105.3 Å²	105.3	0%	0	50%	0.502	C	S	.	.			trans	-62.8	162.7	-178.9	78.2	0	0	0	0	112.3	C212 F222 W237 R241 C242 S243	C212-C239 HydrophobicContact CB-CB 4.28Å; C212-C239 PolarHBondContact SG-N 2.76Å; F222-C239 HydrophobicContact CD1-CB 4.33Å; F222-C239 HydrophobicContact CD2-CB 3.88Å; F222-C239 HydrophobicContact CE1-CB 3.86Å; F222-C239 HydrophobicContact CE2-CB 3.37Å; F222-C239 HydrophobicContact CG-CB 4.36Å; F222-C239 HydrophobicContact CZ-CB 3.35Å; W237-C239 VanDerWaalsContact CH2-CA 3.43Å; W237-C239 HydrophobicContact CH2-CB 3.6Å; W237-C239 HydrophobicContact CZ2-CB 4.4Å; W237-C239 HydrophobicContact CZ3-CB 3.83Å; C239-R241 PolarHBondContact O-N 3.08Å; C239-C242 PolarHBondContact O-N 3.26Å; C239-S243 WeakPolarHBondContact O-CB 3.17Å; C239-S243 PolarHBondContact O-N 3.4Å
240	P	88.9	Confident	85.3	Confident	53 Å²	53	108.9 Å²	108.9	34%	0.344	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.2	-176.9	-29	36.9	0	0	0	115.3	L200 V227 Q244	L200-P240 HydrophobicContact CD1-CB 4.49Å; L200-P240 HydrophobicContact CD1-CG 4.16Å; V227-P240 HydrophobicContact CG1-CG 4.3Å; P240-Q244 WeakPolarHBondContact O-CG 3.43Å; P240-Q244 PolarHBondContact O-NE2 2.89Å
241	R	88.5	Confident	85.2	Confident	119 Å²	119	108.2 Å²	108.2	45%	0.449	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-60.5	173.5	-62.1	-174.3	-175.6	-176.4	3.5	111	L200 C239 S243 Q244 E245	L200-R241 HydrophobicContact CD2-CG 4.42Å; C239-R241 PolarHBondContact O-N 3.08Å; R241-S243 VanDerWaalsContact C-N 3.27Å; R241-S243 PolarHBondContact O-N 2.74Å; R241-Q244 WeakPolarHBondContact O-CB 3.33Å; R241-Q244 PolarHBondContact O-N 2.57Å; R241-E245 PolarHBondContact O-N 3.19Å; R241-E245 VanDerWaalsContact O-N 3.08Å
242	C	90.9	Very high	85.1	Confident	5 Å²	5	108.7 Å²	108.7	3%	0.034	50%	0.501	C	S	.	.	H	α-helix	trans	-64.8	-28.3	-177.6	-58.5	0	0	0	0	113.7	N214 C217 C239 Q244 E245 R246	N214-C242 HydrophobicContact CB-CB 4.02Å; C217-C242 VanDerWaalsContact SG-SG 3.64Å; C239-C242 PolarHBondContact O-N 3.26Å; C242-Q244 VanDerWaalsContact C-N 3.3Å; C242-Q244 PolarHBondContact O-N 3.48Å; C242-E245 VanDerWaalsContact CA-OE2 3.27Å; C242-E245 WeakPolarHBondContact CA-OE2 3.37Å; C242-E245 PolarHBondContact O-N 3.49Å; C242-E245 PolarHBondContact SG-OE2 3.2Å; C242-R246 WeakPolarHBondContact O-CB 3.47Å; C242-R246 WeakPolarHBondContact O-CG 3.47Å; C242-R246 PolarHBondContact O-N 3.47Å
243	S	88.1	Confident	84.8	Confident	46 Å²	46	105.1 Å²	105.1	32%	0.322	49%	0.487	S	S	.	.	H	α-helix	trans	-67.2	-27.2	172.2	-170.8	0	0	0	0	113.2	C239 R241 K247	C239-S243 WeakPolarHBondContact O-CB 3.17Å; C239-S243 PolarHBondContact O-N 3.4Å; R241-S243 VanDerWaalsContact C-N 3.27Å; R241-S243 PolarHBondContact O-N 2.74Å; S243-K247 WeakPolarHBondContact O-CD 3.48Å; S243-K247 WeakPolarHBondContact O-CG 3.34Å
244	Q	86.7	Confident	84.7	Confident	114 Å²	114	108.9 Å²	108.9	53%	0.533	50%	0.5	S	S	.	.	H	α-helix	trans	-81.7	-40.1	171.5	-71.7	175.2	64.6	0	0	112	P240 R241 C242 R246 K247 K248	P240-Q244 WeakPolarHBondContact O-CG 3.43Å; P240-Q244 PolarHBondContact O-NE2 2.89Å; R241-Q244 WeakPolarHBondContact O-CB 3.33Å; R241-Q244 PolarHBondContact O-N 2.57Å; C242-Q244 VanDerWaalsContact C-N 3.3Å; C242-Q244 PolarHBondContact O-N 3.48Å; Q244-R246 VanDerWaalsContact C-N 3.35Å; Q244-R246 PolarHBondContact O-N 2.89Å; Q244-K247 PolarHBondContact O-N 2.69Å; Q244-K248 PolarHBondContact O-N 2.88Å
245	E	85.7	Confident	84.7	Confident	112 Å²	112	99.5 Å²	99.5	52%	0.523	47%	0.47	S	S	.	.	H	α-helix	trans	-60.8	-44.5	178	-67.9	164.2	160.3	0	0	111	R241 C242 K247 K248	R241-E245 PolarHBondContact O-N 3.19Å; R241-E245 VanDerWaalsContact O-N 3.08Å; C242-E245 VanDerWaalsContact CA-OE2 3.27Å; C242-E245 WeakPolarHBondContact CA-OE2 3.37Å; C242-E245 PolarHBondContact O-N 3.49Å; C242-E245 PolarHBondContact SG-OE2 3.2Å; E245-K247 PolarHBondContact O-N 2.97Å; E245-K247 VanDerWaalsContact O-N 3.12Å; E245-K248 PolarHBondContact O-N 3.27Å; E245-K248 VanDerWaalsContact O-N 3.14Å
246	R	81.2	Confident	84.4	Confident	147 Å²	147	101.6 Å²	101.6	56%	0.555	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-3.5	174.1	-70.4	-169.4	65.9	-135.5	-11.4	115.4	F238 C242 Q244	F238-R246 VanDerWaalsContact CZ-NH1 3.31Å; C242-R246 WeakPolarHBondContact O-CB 3.47Å; C242-R246 WeakPolarHBondContact O-CG 3.47Å; C242-R246 PolarHBondContact O-N 3.47Å; Q244-R246 VanDerWaalsContact C-N 3.35Å; Q244-R246 PolarHBondContact O-N 2.89Å
247	K	78.6	Confident	84	Confident	169 Å²	169	97.5 Å²	97.5	74%	0.735	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-5.5	173.5	-72.6	176.4	-177.9	179.9	0	113.5	S243 Q244 E245	S243-K247 WeakPolarHBondContact O-CD 3.48Å; S243-K247 WeakPolarHBondContact O-CG 3.34Å; Q244-K247 PolarHBondContact O-N 2.69Å; E245-K247 PolarHBondContact O-N 2.97Å; E245-K247 VanDerWaalsContact O-N 3.12Å
248	K	72.2	Confident	83.3	Confident	178 Å²	178	102.8 Å²	102.8	77%	0.774	46%	0.461	S	S	*	.			trans	-103.6	13.8	178.8	-68.8	178	178.6	177	0	112.6	Q244 E245	Q244-K248 PolarHBondContact O-N 2.88Å; E245-K248 PolarHBondContact O-N 3.27Å; E245-K248 VanDerWaalsContact O-N 3.14Å
249	K	54.1	Low	82.4	Confident	249 Å²	249	108.4 Å²	108.4	100%	1.083	49%	0.486	S	S	*	.			trans	-147.6	0	-166	-165.5	177.4	-173.8	178.8	0	110

Retrieved 249 of 249 residues in 45.2 ms (Link to these results)

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