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Serine palmitoyltransferase small subunit B

Component of the serine palmitoyltransferase multisubunit enzyme (SPT) that catalyzes the initial and rate-limiting step in sphingolipid biosynthesis by condensing L-serine and activated acyl-CoA (most commonly palmitoyl-CoA) to form long-chain bases¹. The SPT complex is composed of SPTLC1, SPTLC2 or SPTLC3 and SPTSSA or SPTSSB. Within this complex, the heterodimer consisting of SPTLC1 and SPTLC2/SPTLC3 forms the catalytic core². Within the SPT complex, SPTSSB stimulates the catalytic activity and plays a role in substrate specificity. SPT complexes with this subunit showing a preference for longer acyl-CoAs. The SPTLC1-SPTLC2-SPTSSB complex shows a strong preference for C18-CoA substrate, while the SPTLC1-SPTLC3-SPTSSB isozyme displays an ability to use a broader range of acyl-CoAs, without apparent preference³.

AlphaFold DB , UniProt , Accession Q8NFR3, Species HUMAN (Homo sapiens, Human), Gene SPTSSB, Length 76 aa.

						>SPTSB_HUMAN|Q8NFR3|SPTSSB
MDLRRVKEYFSWLYYQYQIISCCAVLEPWERSMFNTILLTIIAMVVYTAYVFIPIHIRLAWEFFSKICGYHSTISN
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57.2	Low	87.9	Confident	202 Å²	202	132.3 Å²	132.3	100%	0.995	61%	0.609	S	S	*	*				0	122.6	0	-81.2	154.5	73.7	0	0	107.4	L3	M1-L3 PolarHBondContact O-N 3.1Å
2	D	84.2	Confident	88.5	Confident	88 Å²	88	132.4 Å²	132.4	47%	0.471	60%	0.601	S	S	.	*			trans	-59.6	124.8	-177.8	-62.9	-66.8	0	0	0	110.2	R4 R5 V6	D2-R4 HydrophobicContact CB-CB 4.42Å; D2-R4 PolarHBondContact O-N 2.91Å; D2-R5 HydrophobicContact CB-CB 4.41Å; D2-R5 HydrophobicContact CB-CG 4.25Å; D2-R5 PolarHBondContact O-N 3.4Å; D2-R5 IonicContact OD2-CZ 3.27Å; D2-R5 VanDerWaalsContact OD2-CZ 3.27Å; D2-R5 IonicContact OD2-NE 3Å; D2-R5 PolarHBondContact OD2-NE 3.49Å; D2-R5 IonicContact OD2-NH2 2.74Å; D2-R5 PolarHBondContact OD2-NH2 3.38Å; D2-V6 PolarHBondContact O-N 2.99Å
3	L	88.7	Confident	88.7	Confident	151 Å²	151	126.9 Å²	126.9	79%	0.791	58%	0.579	S	S	*	*	H	α-helix	trans	-51.6	-28.8	173.9	-67	173.4	0	0	0	111.8	M1 V6 K7	M1-L3 PolarHBondContact O-N 3.1Å; L3-V6 PolarHBondContact O-N 3.49Å; L3-K7 WeakPolarHBondContact O-CB 3.47Å; L3-K7 PolarHBondContact O-N 3.05Å
4	R	90.7	Very high	88.8	Confident	203 Å²	203	125 Å²	125	77%	0.766	57%	0.566	S	S	*	*	H	α-helix	trans	-59.9	-51	172.4	-65.7	-179.9	179.9	-104.3	0.9	112.5	D2 V6 K7 E8	D2-R4 HydrophobicContact CB-CB 4.42Å; D2-R4 PolarHBondContact O-N 2.91Å; R4-V6 VanDerWaalsContact C-N 3.32Å; R4-V6 PolarHBondContact O-N 3.49Å; R4-K7 PolarHBondContact O-N 2.82Å; R4-E8 WeakPolarHBondContact O-CG 3.35Å; R4-E8 PolarHBondContact O-N 3.46Å
5	R	91.5	Very high	88.8	Confident	151 Å²	151	126.3 Å²	126.3	57%	0.57	57%	0.566	S	S	*	*	H	α-helix	trans	-62.5	-39.5	178	-73.4	-170.7	-82.1	174.3	-6.5	111.9	D2 E8 Y9	D2-R5 HydrophobicContact CB-CB 4.41Å; D2-R5 HydrophobicContact CB-CG 4.25Å; D2-R5 PolarHBondContact O-N 3.4Å; D2-R5 IonicContact OD2-CZ 3.27Å; D2-R5 VanDerWaalsContact OD2-CZ 3.27Å; D2-R5 IonicContact OD2-NE 3Å; D2-R5 PolarHBondContact OD2-NE 3.49Å; D2-R5 IonicContact OD2-NH2 2.74Å; D2-R5 PolarHBondContact OD2-NH2 3.38Å; R5-E8 PolarHBondContact O-N 3.11Å; R5-Y9 WeakPolarHBondContact O-CB 3.36Å; R5-Y9 PolarHBondContact O-N 3.23Å
6	V	92.6	Very high	88.9	Confident	47 Å²	47	123.1 Å²	123.1	29%	0.285	55%	0.553	S	S	.	*	H	α-helix	trans	-63.6	-45.7	176.2	177.2	0	0	0	0	110.6	D2 L3 R4 E8 Y9 F10	D2-V6 PolarHBondContact O-N 2.99Å; L3-V6 PolarHBondContact O-N 3.49Å; R4-V6 VanDerWaalsContact C-N 3.32Å; R4-V6 PolarHBondContact O-N 3.49Å; V6-E8 PolarHBondContact O-N 3Å; V6-Y9 PolarHBondContact O-N 3.29Å; V6-F10 HydrophobicContact CG1-CD2 3.67Å; V6-F10 HydrophobicContact CG1-CE2 3.62Å; V6-F10 VanDerWaalsContact O-CD2 3.28Å; V6-F10 WeakPolarHBondContact O-CD2 3.22Å; V6-F10 PolarHBondContact O-N 3.11Å
7	K	92.5	Very high	89	Confident	152 Å²	152	118.6 Å²	118.6	66%	0.661	53%	0.531	S	S	*	.	H	α-helix	trans	-61.6	-43.9	176.7	-178.5	-177.8	174.6	-178	0	112.4	L3 R4 Y9 F10 S11	L3-K7 WeakPolarHBondContact O-CB 3.47Å; L3-K7 PolarHBondContact O-N 3.05Å; R4-K7 PolarHBondContact O-N 2.82Å; K7-Y9 VanDerWaalsContact C-N 3.32Å; K7-Y9 PolarHBondContact O-N 3.25Å; K7-F10 PolarHBondContact O-N 3.45Å; K7-S11 WeakPolarHBondContact O-CB 3.28Å; K7-S11 PolarHBondContact O-N 2.83Å; K7-S11 PolarHBondContact O-OG 3.32Å
8	E	93.4	Very high	88.9	Confident	127 Å²	127	113.6 Å²	113.6	59%	0.593	51%	0.509	S	S	*	.	H	α-helix	trans	-60.7	-43.4	176.4	-74.1	163.5	-168.5	0	0	110.8	R4 R5 V6 S11 W12	R4-E8 WeakPolarHBondContact O-CG 3.35Å; R4-E8 PolarHBondContact O-N 3.46Å; R5-E8 PolarHBondContact O-N 3.11Å; V6-E8 PolarHBondContact O-N 3Å; E8-S11 WeakPolarHBondContact O-CB 3.39Å; E8-S11 PolarHBondContact O-N 2.83Å; E8-W12 WeakPolarHBondContact O-CB 3.38Å; E8-W12 PolarHBondContact O-N 2.86Å
9	Y	93.1	Very high	88.9	Confident	133 Å²	133	112.6 Å²	112.6	52%	0.522	51%	0.507	S	S	.	.	H	α-helix	trans	-63	-44.9	176.2	-175.7	-106.9	0	0	0	112.9	R5 V6 K7 S11 W12 L13	R5-Y9 WeakPolarHBondContact O-CB 3.36Å; R5-Y9 PolarHBondContact O-N 3.23Å; V6-Y9 PolarHBondContact O-N 3.29Å; K7-Y9 VanDerWaalsContact C-N 3.32Å; K7-Y9 PolarHBondContact O-N 3.25Å; Y9-S11 VanDerWaalsContact C-N 3.33Å; Y9-S11 PolarHBondContact O-N 3.03Å; Y9-W12 HydrophobicContact CE2-CE3 4.42Å; Y9-W12 WeakPolarHBondContact O-CB 3.48Å; Y9-W12 PolarHBondContact O-N 3.28Å; Y9-L13 HydrophobicContact CD1-CD1 3.76Å; Y9-L13 HydrophobicContact CD1-CG 4.41Å; Y9-L13 HydrophobicContact CE1-CD1 3.32Å; Y9-L13 HydrophobicContact CE1-CG 4.03Å; Y9-L13 PolarHBondContact O-N 2.94Å
10	F	92.3	Very high	88.9	Confident	136 Å²	136	113.8 Å²	113.8	60%	0.596	52%	0.517	S	S	*	.	H	α-helix	trans	-63.1	-39.5	174.7	-88.2	-74.1	0	0	0	112.5	V6 K7 W12 L13 Y14	V6-F10 HydrophobicContact CG1-CD2 3.67Å; V6-F10 HydrophobicContact CG1-CE2 3.62Å; V6-F10 VanDerWaalsContact O-CD2 3.28Å; V6-F10 WeakPolarHBondContact O-CD2 3.22Å; V6-F10 PolarHBondContact O-N 3.11Å; K7-F10 PolarHBondContact O-N 3.45Å; F10-W12 VanDerWaalsContact C-N 3.29Å; F10-W12 PolarHBondContact O-N 2.84Å; F10-L13 PolarHBondContact O-N 2.81Å; F10-Y14 WeakPolarHBondContact O-CB 3.29Å; F10-Y14 PolarHBondContact O-N 2.86Å
11	S	90.9	Very high	88.8	Confident	65 Å²	65	111 Å²	111	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-62.3	-40.8	175.7	-55.3	0	0	0	0	110.9	K7 E8 Y9 Y14 Y15	K7-S11 WeakPolarHBondContact O-CB 3.28Å; K7-S11 PolarHBondContact O-N 2.83Å; K7-S11 PolarHBondContact O-OG 3.32Å; E8-S11 WeakPolarHBondContact O-CB 3.39Å; E8-S11 PolarHBondContact O-N 2.83Å; Y9-S11 VanDerWaalsContact C-N 3.33Å; Y9-S11 PolarHBondContact O-N 3.03Å; S11-Y14 PolarHBondContact O-N 3.42Å; S11-Y15 PolarHBondContact O-N 3.34Å
12	W	94.7	Very high	90.1	Very high	134 Å²	134	105.1 Å²	105.1	51%	0.508	49%	0.489	S	S	.	.	H	α-helix	trans	-67	-44.6	177.1	-176.9	87.5	0	0	0	112.7	E8 Y9 F10 Y14 Y15 Q16	E8-W12 WeakPolarHBondContact O-CB 3.38Å; E8-W12 PolarHBondContact O-N 2.86Å; Y9-W12 HydrophobicContact CE2-CE3 4.42Å; Y9-W12 WeakPolarHBondContact O-CB 3.48Å; Y9-W12 PolarHBondContact O-N 3.28Å; F10-W12 VanDerWaalsContact C-N 3.29Å; F10-W12 PolarHBondContact O-N 2.84Å; W12-Y14 VanDerWaalsContact C-N 3.32Å; W12-Y14 PolarHBondContact O-N 3.39Å; W12-Y15 WeakPolarHBondContact O-CB 2.93Å; W12-Y15 PolarHBondContact O-N 3Å; W12-Q16 HydrophobicContact CD2-CG 4.39Å; W12-Q16 HydrophobicContact CE3-CG 4.39Å; W12-Q16 HydrophobicContact CH2-CG 4.31Å; W12-Q16 HydrophobicContact CZ2-CG 4.28Å; W12-Q16 HydrophobicContact CZ3-CG 4.34Å; W12-Q16 PolarHBondContact O-N 3.46Å
13	L	91.6	Very high	90.1	Very high	61 Å²	61	101 Å²	101	32%	0.319	47%	0.466	S	S	.	.	H	α-helix	trans	-59.8	-42.8	174.1	-78.2	171.7	0	0	0	111.9	Y9 F10 Y15 Q16 Y17	Y9-L13 HydrophobicContact CD1-CD1 3.76Å; Y9-L13 HydrophobicContact CD1-CG 4.41Å; Y9-L13 HydrophobicContact CE1-CD1 3.32Å; Y9-L13 HydrophobicContact CE1-CG 4.03Å; Y9-L13 PolarHBondContact O-N 2.94Å; F10-L13 PolarHBondContact O-N 2.81Å; L13-Y15 VanDerWaalsContact C-N 3.3Å; L13-Y15 PolarHBondContact O-N 3.42Å; L13-Q16 PolarHBondContact O-N 3.27Å; L13-Y17 WeakPolarHBondContact O-CB 3.39Å; L13-Y17 PolarHBondContact O-N 3.43Å
14	Y	89.4	Confident	89.8	Confident	100 Å²	100	96 Å²	96	39%	0.392	45%	0.448	S	S	.	.	H	α-helix	trans	-64.3	-36.4	177.4	-176.6	-117.8	0	0	0	112.1	F10 S11 W12 Y17 Q18	F10-Y14 WeakPolarHBondContact O-CB 3.29Å; F10-Y14 PolarHBondContact O-N 2.86Å; S11-Y14 PolarHBondContact O-N 3.42Å; W12-Y14 VanDerWaalsContact C-N 3.32Å; W12-Y14 PolarHBondContact O-N 3.39Å; Y14-Y17 HydrophobicContact CD2-CD1 4.18Å; Y14-Y17 HydrophobicContact CE2-CD1 4.2Å; Y14-Y17 PolarHBondContact O-N 2.81Å; Y14-Q18 HydrophobicContact CE1-CG 4.43Å; Y14-Q18 HydrophobicContact CE2-CG 4.47Å; Y14-Q18 WeakPolarHBondContact O-CG 3.5Å; Y14-Q18 PolarHBondContact O-N 3.11Å; Y14-Q18 VanDerWaalsContact O-N 3.09Å
15	Y	89.6	Confident	89.7	Confident	144 Å²	144	92.4 Å²	92.4	57%	0.565	45%	0.448	S	S	*	.	H	α-helix	trans	-64.2	-44.9	173.5	-176.4	-103.8	0	0	0	112	S11 W12 L13 Y17 Q18 I19	S11-Y15 PolarHBondContact O-N 3.34Å; W12-Y15 WeakPolarHBondContact O-CB 2.93Å; W12-Y15 PolarHBondContact O-N 3Å; L13-Y15 VanDerWaalsContact C-N 3.3Å; L13-Y15 PolarHBondContact O-N 3.42Å; Y15-Y17 VanDerWaalsContact C-N 3.34Å; Y15-Y17 PolarHBondContact O-N 2.87Å; Y15-Q18 PolarHBondContact O-N 3.22Å; Y15-I19 HydrophobicContact CD1-CD1 3.9Å; Y15-I19 HydrophobicContact CE1-CD1 3.33Å; Y15-I19 HydrophobicContact CE1-CG1 4.48Å; Y15-I19 HydrophobicContact CE2-CD1 4.25Å; Y15-I19 PolarHBondContact O-N 3.43Å
16	Q	91	Very high	89.4	Confident	76 Å²	76	87.5 Å²	87.5	36%	0.355	43%	0.433	S	S	.	.	H	α-helix	trans	-60.3	-44.6	174.6	-70.9	-159.6	-29.6	0	0	112.2	W12 L13 Q18 I19 I20	W12-Q16 HydrophobicContact CD2-CG 4.39Å; W12-Q16 HydrophobicContact CE3-CG 4.39Å; W12-Q16 HydrophobicContact CH2-CG 4.31Å; W12-Q16 HydrophobicContact CZ2-CG 4.28Å; W12-Q16 HydrophobicContact CZ3-CG 4.34Å; W12-Q16 PolarHBondContact O-N 3.46Å; L13-Q16 PolarHBondContact O-N 3.27Å; Q16-Q18 VanDerWaalsContact C-N 3.34Å; Q16-Q18 PolarHBondContact O-N 2.77Å; Q16-I19 PolarHBondContact O-N 3.48Å; Q16-I20 HydrophobicContact CB-CD1 4.38Å; Q16-I20 VanDerWaalsContact O-CG1 3.26Å; Q16-I20 WeakPolarHBondContact O-CG1 3.26Å; Q16-I20 PolarHBondContact O-N 3.17Å
17	Y	89.1	Confident	89.2	Confident	47 Å²	47	90.7 Å²	90.7	18%	0.184	44%	0.444	C	S	.	.	H	α-helix	trans	-57.6	-44.8	178.1	165.7	-107.6	0	0	0	112.6	L13 Y14 Y15 I19 I20 S21 N35 L38	L13-Y17 WeakPolarHBondContact O-CB 3.39Å; L13-Y17 PolarHBondContact O-N 3.43Å; Y14-Y17 HydrophobicContact CD2-CD1 4.18Å; Y14-Y17 HydrophobicContact CE2-CD1 4.2Å; Y14-Y17 PolarHBondContact O-N 2.81Å; Y15-Y17 VanDerWaalsContact C-N 3.34Å; Y15-Y17 PolarHBondContact O-N 2.87Å; Y17-I19 VanDerWaalsContact C-N 3.29Å; Y17-I19 PolarHBondContact O-N 3.25Å; Y17-I20 PolarHBondContact O-N 3.22Å; Y17-S21 WeakPolarHBondContact CE2-OG 3.22Å; Y17-S21 PolarHBondContact O-N 3.17Å; Y17-S21 PolarHBondContact O-OG 3.4Å; Y17-N35 WeakPolarHBondContact CE1-OD1 3.32Å; Y17-L38 HydrophobicContact CD2-CD1 3.84Å; Y17-L38 HydrophobicContact CE1-CD1 4.32Å; Y17-L38 HydrophobicContact CE2-CD1 3.04Å; Y17-L38 WeakPolarHBondContact OH-CD1 3.37Å
18	Q	87.6	Confident	89	Confident	28 Å²	28	88.7 Å²	88.7	13%	0.131	45%	0.447	C	S	.	.	H	α-helix	trans	-61.2	-37	178.3	-78.2	179.2	59.3	0	0	112.7	Y14 Y15 Q16 C22 C23 A24	Y14-Q18 HydrophobicContact CE1-CG 4.43Å; Y14-Q18 HydrophobicContact CE2-CG 4.47Å; Y14-Q18 WeakPolarHBondContact O-CG 3.5Å; Y14-Q18 PolarHBondContact O-N 3.11Å; Y14-Q18 VanDerWaalsContact O-N 3.09Å; Y15-Q18 PolarHBondContact O-N 3.22Å; Q16-Q18 VanDerWaalsContact C-N 3.34Å; Q16-Q18 PolarHBondContact O-N 2.77Å; Q18-C22 CarbonylContact O-C 3.46Å; Q18-C22 PolarHBondContact O-N 3.03Å; Q18-C23 PolarHBondContact O-N 2.84Å; Q18-A24 HydrophobicContact CB-CB 4.3Å; Q18-A24 PolarHBondContact O-N 3.2Å; Q18-A24 VanDerWaalsContact O-N 3.12Å
19	I	89.2	Confident	88.8	Confident	94 Å²	94	89.7 Å²	89.7	48%	0.482	45%	0.445	S	S	.	.	H	α-helix	trans	-75	-47.9	178.4	-63.1	175	0	0	0	110.7	Y15 Q16 Y17 S21 C22	Y15-I19 HydrophobicContact CD1-CD1 3.9Å; Y15-I19 HydrophobicContact CE1-CD1 3.33Å; Y15-I19 HydrophobicContact CE1-CG1 4.48Å; Y15-I19 HydrophobicContact CE2-CD1 4.25Å; Y15-I19 PolarHBondContact O-N 3.43Å; Q16-I19 PolarHBondContact O-N 3.48Å; Y17-I19 VanDerWaalsContact C-N 3.29Å; Y17-I19 PolarHBondContact O-N 3.25Å; I19-S21 VanDerWaalsContact C-N 3.31Å; I19-S21 PolarHBondContact O-N 3.43Å; I19-C22 PolarHBondContact O-N 2.87Å
20	I	89.1	Confident	88.6	Confident	137 Å²	137	86.2 Å²	86.2	70%	0.703	43%	0.434	S	S	*	.	H	α-helix	trans	-59.9	-42.5	-177	-68.7	164.5	0	0	0	111.2	Q16 Y17 C22	Q16-I20 HydrophobicContact CB-CD1 4.38Å; Q16-I20 VanDerWaalsContact O-CG1 3.26Å; Q16-I20 WeakPolarHBondContact O-CG1 3.26Å; Q16-I20 PolarHBondContact O-N 3.17Å; Y17-I20 PolarHBondContact O-N 3.22Å; I20-C22 VanDerWaalsContact C-N 3.26Å; I20-C22 PolarHBondContact O-N 3.22Å
21	S	87.1	Confident	88.4	Confident	55 Å²	55	82.5 Å²	82.5	39%	0.385	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	0.6	179.8	-49.3	0	0	0	0	113	Y17 I19 C23	Y17-S21 WeakPolarHBondContact CE2-OG 3.22Å; Y17-S21 PolarHBondContact O-N 3.17Å; Y17-S21 PolarHBondContact O-OG 3.4Å; I19-S21 VanDerWaalsContact C-N 3.31Å; I19-S21 PolarHBondContact O-N 3.43Å; S21-C23 VanDerWaalsContact CB-SG 3.51Å; S21-C23 PolarHBondContact O-N 3.48Å
22	C	84.2	Confident	88.3	Confident	78 Å²	78	82.2 Å²	82.2	53%	0.527	41%	0.414	S	S	.	.	S	Bend	trans	57.3	9.9	-170.9	-156.9	0	0	0	0	114.9	Q18 I19 I20 A24 V25 L26	Q18-C22 CarbonylContact O-C 3.46Å; Q18-C22 PolarHBondContact O-N 3.03Å; I19-C22 PolarHBondContact O-N 2.87Å; I20-C22 VanDerWaalsContact C-N 3.26Å; I20-C22 PolarHBondContact O-N 3.22Å; C22-A24 PolarHBondContact O-N 3.41Å; C22-V25 PolarHBondContact O-N 2.86Å; C22-L26 VanDerWaalsContact O-CD1 3.31Å; C22-L26 WeakPolarHBondContact O-CD1 3.19Å
23	C	84.2	Confident	88.1	Confident	1 Å²	1	80.6 Å²	80.6	1%	0.007	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-8.9	178.7	-60.8	0	0	0	0	114.2	Q18 S21 V25 R31	Q18-C23 PolarHBondContact O-N 2.84Å; S21-C23 VanDerWaalsContact CB-SG 3.51Å; S21-C23 PolarHBondContact O-N 3.48Å; C23-V25 VanDerWaalsContact C-N 3.29Å; C23-V25 PolarHBondContact O-N 2.85Å; C23-R31 PolarHBondContact O-NE 2.87Å; C23-R31 VanDerWaalsContact O-NE 3.08Å; C23-R31 PolarHBondContact O-NH2 3.41Å
24	A	82.9	Confident	88	Confident	48 Å²	48	82.3 Å²	82.3	40%	0.397	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-32.7	174.4	0	0	0	0	0	113.3	Q18 C22 R31	Q18-A24 HydrophobicContact CB-CB 4.3Å; Q18-A24 PolarHBondContact O-N 3.2Å; Q18-A24 VanDerWaalsContact O-N 3.12Å; C22-A24 PolarHBondContact O-N 3.41Å; A24-R31 PolarHBondContact O-NH2 2.85Å
25	V	87.8	Confident	88	Confident	127 Å²	127	80 Å²	80	77%	0.77	41%	0.413	S	S	*	.	S	Bend	trans	-87.3	-19.2	-175.6	-176.7	0	0	0	0	112.6	C22 C23	C22-V25 PolarHBondContact O-N 2.86Å; C23-V25 VanDerWaalsContact C-N 3.29Å; C23-V25 PolarHBondContact O-N 2.85Å
26	L	86.3	Confident	88.1	Confident	48 Å²	48	76.4 Å²	76.4	25%	0.251	41%	0.406	S	S	.	.	S	Bend	trans	-74.7	155.8	-174.9	-82.7	80.6	0	0	0	112.8	C22 E30 F34	C22-L26 VanDerWaalsContact O-CD1 3.31Å; C22-L26 WeakPolarHBondContact O-CD1 3.19Å; L26-E30 HydrophobicContact CB-CB 4.06Å; L26-E30 VanDerWaalsContact CB-OE2 3.3Å; L26-E30 WeakPolarHBondContact CB-OE2 3.48Å; L26-E30 HydrophobicContact CD2-CB 3.83Å; L26-E30 HydrophobicContact CG-CB 4.43Å; L26-E30 WeakPolarHBondContact CG-OE2 3.27Å; L26-F34 HydrophobicContact CD2-CD2 3.83Å; L26-F34 HydrophobicContact CD2-CE2 3.37Å; L26-F34 HydrophobicContact CD2-CZ 4.36Å
27	E	88.4	Confident	88.2	Confident	114 Å²	114	77.1 Å²	77.1	53%	0.533	41%	0.411	S	S	.	.			trans	-61.1	152.8	176.5	-72.7	-170.6	97	0	0	111.3	W29 E30 R31	E27-W29 PolarHBondContact O-N 3.43Å; E27-W29 VanDerWaalsContact O-N 3.11Å; E27-W29 PolarHBondContact OE2-NE1 2.84Å; E27-E30 HydrophobicContact CB-CG 4.21Å; E27-E30 PolarHBondContact N-OE2 2.96Å; E27-E30 PolarHBondContact O-N 3.46Å; E27-E30 VanDerWaalsContact O-N 3.08Å; E27-R31 PolarHBondContact O-N 2.84Å
28	P	86.7	Confident	88.3	Confident	110 Å²	110	77.6 Å²	77.6	71%	0.714	42%	0.417	S	S	*	.	H	α-helix	trans	-57.3	-31	-177.5	21.5	-33.7	0	0	0	113.3	S32	P28-S32 PolarHBondContact O-N 3.06Å
29	W	90.4	Very high	88.6	Confident	148 Å²	148	81.8 Å²	81.8	56%	0.561	44%	0.439	S	S	*	.	H	α-helix	trans	-73.4	-41.2	177.5	79	-93.1	0	0	0	112	E27 S32 M33	E27-W29 PolarHBondContact O-N 3.43Å; E27-W29 VanDerWaalsContact O-N 3.11Å; E27-W29 PolarHBondContact OE2-NE1 2.84Å; W29-S32 VanDerWaalsContact O-CB 3.26Å; W29-S32 WeakPolarHBondContact O-CB 3.18Å; W29-S32 PolarHBondContact O-N 3.29Å; W29-M33 HydrophobicContact CE3-CG 4.17Å; W29-M33 HydrophobicContact CZ3-CG 4.16Å; W29-M33 PolarHBondContact O-N 3.4Å
30	E	88.2	Confident	88.9	Confident	59 Å²	59	81.2 Å²	81.2	28%	0.276	44%	0.44	S	S	.	.	H	α-helix	trans	-65.1	-42.9	177.4	-62	178.6	132.9	0	0	111	L26 E27 S32 M33 F34	L26-E30 HydrophobicContact CB-CB 4.06Å; L26-E30 VanDerWaalsContact CB-OE2 3.3Å; L26-E30 WeakPolarHBondContact CB-OE2 3.48Å; L26-E30 HydrophobicContact CD2-CB 3.83Å; L26-E30 HydrophobicContact CG-CB 4.43Å; L26-E30 WeakPolarHBondContact CG-OE2 3.27Å; E27-E30 HydrophobicContact CB-CG 4.21Å; E27-E30 PolarHBondContact N-OE2 2.96Å; E27-E30 PolarHBondContact O-N 3.46Å; E27-E30 VanDerWaalsContact O-N 3.08Å; E30-S32 PolarHBondContact O-N 2.97Å; E30-M33 WeakPolarHBondContact O-CB 3.44Å; E30-M33 PolarHBondContact O-N 3.32Å; E30-F34 WeakPolarHBondContact O-CD2 3.47Å; E30-F34 PolarHBondContact O-N 2.87Å
31	R	89	Confident	89.2	Confident	58 Å²	58	79.4 Å²	79.4	22%	0.219	43%	0.431	C	S	.	.	H	α-helix	trans	-57.1	-37.4	174.5	-170.9	-178.1	-59.9	-179.3	4.9	111.8	C23 A24 E27 F34 N35	C23-R31 PolarHBondContact O-NE 2.87Å; C23-R31 VanDerWaalsContact O-NE 3.08Å; C23-R31 PolarHBondContact O-NH2 3.41Å; A24-R31 PolarHBondContact O-NH2 2.85Å; E27-R31 PolarHBondContact O-N 2.84Å; R31-F34 PolarHBondContact O-N 3.43Å; R31-N35 WeakPolarHBondContact O-CB 3.32Å; R31-N35 PolarHBondContact O-N 2.98Å; R31-N35 PolarHBondContact O-ND2 3.38Å
32	S	88.2	Confident	89.6	Confident	60 Å²	60	81.1 Å²	81.1	42%	0.42	44%	0.435	S	S	.	.	H	α-helix	trans	-62.3	-45.3	174.6	-169.1	0	0	0	0	111.5	P28 W29 E30 F34 N35 T36	P28-S32 PolarHBondContact O-N 3.06Å; W29-S32 VanDerWaalsContact O-CB 3.26Å; W29-S32 WeakPolarHBondContact O-CB 3.18Å; W29-S32 PolarHBondContact O-N 3.29Å; E30-S32 PolarHBondContact O-N 2.97Å; S32-F34 PolarHBondContact O-N 3.27Å; S32-N35 PolarHBondContact O-N 2.81Å; S32-T36 WeakPolarHBondContact O-CG2 3.42Å; S32-T36 PolarHBondContact O-N 3.43Å
33	M	90.6	Very high	90.2	Very high	99 Å²	99	80 Å²	80	49%	0.488	43%	0.432	S	S	.	.	H	α-helix	trans	-58.8	-49.1	176.1	-64.5	-64.6	115.3	0	0	111.5	W29 E30 N35 T36 I37	W29-M33 HydrophobicContact CE3-CG 4.17Å; W29-M33 HydrophobicContact CZ3-CG 4.16Å; W29-M33 PolarHBondContact O-N 3.4Å; E30-M33 WeakPolarHBondContact O-CB 3.44Å; E30-M33 PolarHBondContact O-N 3.32Å; M33-N35 VanDerWaalsContact C-N 3.34Å; M33-N35 PolarHBondContact O-N 3.32Å; M33-T36 PolarHBondContact O-N 3.47Å; M33-T36 PolarHBondContact O-OG1 3.43Å; M33-I37 WeakPolarHBondContact O-CG1 3Å; M33-I37 PolarHBondContact O-N 2.86Å
34	F	89.4	Confident	90.8	Very high	97 Å²	97	86 Å²	86	43%	0.425	46%	0.461	S	S	.	.	H	α-helix	trans	-59.3	-42.3	176.6	-82.1	-74.9	0	0	0	112.9	L26 E30 R31 S32 T36 I37 L38	L26-F34 HydrophobicContact CD2-CD2 3.83Å; L26-F34 HydrophobicContact CD2-CE2 3.37Å; L26-F34 HydrophobicContact CD2-CZ 4.36Å; E30-F34 WeakPolarHBondContact O-CD2 3.47Å; E30-F34 PolarHBondContact O-N 2.87Å; R31-F34 PolarHBondContact O-N 3.43Å; S32-F34 PolarHBondContact O-N 3.27Å; F34-T36 VanDerWaalsContact C-N 3.33Å; F34-T36 PolarHBondContact O-N 2.99Å; F34-I37 PolarHBondContact O-N 3.24Å; F34-L38 WeakPolarHBondContact O-CB 3.44Å; F34-L38 PolarHBondContact O-N 3.17Å
35	N	88.8	Confident	91.4	Very high	52 Å²	52	87.8 Å²	87.8	28%	0.278	47%	0.467	S	S	.	.	H	α-helix	trans	-62	-40	176.9	-74.3	-17	0	0	0	111.9	Y17 R31 S32 M33 L38 L39	Y17-N35 WeakPolarHBondContact CE1-OD1 3.32Å; R31-N35 WeakPolarHBondContact O-CB 3.32Å; R31-N35 PolarHBondContact O-N 2.98Å; R31-N35 PolarHBondContact O-ND2 3.38Å; S32-N35 PolarHBondContact O-N 2.81Å; M33-N35 VanDerWaalsContact C-N 3.34Å; M33-N35 PolarHBondContact O-N 3.32Å; N35-L38 PolarHBondContact O-N 2.86Å; N35-L39 VanDerWaalsContact O-CB 3.3Å; N35-L39 WeakPolarHBondContact O-CB 3.29Å; N35-L39 PolarHBondContact O-N 3.34Å
36	T	92.4	Very high	91.8	Very high	69 Å²	69	86.1 Å²	86.1	42%	0.423	46%	0.457	S	S	.	.	H	α-helix	trans	-65.7	-41.3	176.4	62.2	0	0	0	0	112.2	S32 M33 F34 L39 T40	S32-T36 WeakPolarHBondContact O-CG2 3.42Å; S32-T36 PolarHBondContact O-N 3.43Å; M33-T36 PolarHBondContact O-N 3.47Å; M33-T36 PolarHBondContact O-OG1 3.43Å; F34-T36 VanDerWaalsContact C-N 3.33Å; F34-T36 PolarHBondContact O-N 2.99Å; T36-L39 PolarHBondContact O-N 2.9Å; T36-T40 WeakPolarHBondContact O-CG2 3.23Å; T36-T40 PolarHBondContact O-N 3.44Å; T36-T40 PolarHBondContact O-OG1 3.26Å
37	I	92.8	Very high	92.2	Very high	91 Å²	91	91 Å²	91	47%	0.467	47%	0.473	S	S	.	.	H	α-helix	trans	-65.4	-43.3	176.9	-64.8	165.4	0	0	0	110.4	M33 F34 L39 T40 I41	M33-I37 WeakPolarHBondContact O-CG1 3Å; M33-I37 PolarHBondContact O-N 2.86Å; F34-I37 PolarHBondContact O-N 3.24Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 3.38Å; I37-T40 PolarHBondContact O-N 2.7Å; I37-T40 PolarHBondContact O-OG1 3.48Å; I37-I41 HydrophobicContact CG2-CD1 3.88Å; I37-I41 VanDerWaalsContact O-CG1 3.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.46Å; I37-I41 PolarHBondContact O-N 3.19Å
38	L	91.1	Very high	92.5	Very high	57 Å²	57	88.3 Å²	88.3	30%	0.298	46%	0.464	S	S	.	.	H	α-helix	trans	-63.6	-42.2	176.5	-177.1	152	0	0	0	111.2	Y17 F34 N35 T40 I41 I42	Y17-L38 HydrophobicContact CD2-CD1 3.84Å; Y17-L38 HydrophobicContact CE1-CD1 4.32Å; Y17-L38 HydrophobicContact CE2-CD1 3.04Å; Y17-L38 WeakPolarHBondContact OH-CD1 3.37Å; F34-L38 WeakPolarHBondContact O-CB 3.44Å; F34-L38 PolarHBondContact O-N 3.17Å; N35-L38 PolarHBondContact O-N 2.86Å; L38-T40 VanDerWaalsContact C-N 3.32Å; L38-T40 PolarHBondContact O-N 3.19Å; L38-I41 PolarHBondContact O-N 3.26Å; L38-I42 HydrophobicContact CD2-CD1 3.32Å; L38-I42 HydrophobicContact CD2-CG1 3.93Å; L38-I42 HydrophobicContact CG-CD1 4.3Å; L38-I42 WeakPolarHBondContact O-CG1 3.43Å; L38-I42 PolarHBondContact O-N 2.97Å
39	L	93.2	Very high	92.8	Very high	116 Å²	116	84.9 Å²	84.9	61%	0.607	45%	0.445	S	S	*	.	H	α-helix	trans	-60.4	-42.7	177.1	-178.3	66.8	0	0	0	111.4	N35 T36 I37 I42 A43	N35-L39 VanDerWaalsContact O-CB 3.3Å; N35-L39 WeakPolarHBondContact O-CB 3.29Å; N35-L39 PolarHBondContact O-N 3.34Å; T36-L39 PolarHBondContact O-N 2.9Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 3.38Å; L39-I42 PolarHBondContact O-N 3.48Å; L39-A43 VanDerWaalsContact O-CB 3.31Å; L39-A43 WeakPolarHBondContact O-CB 3.38Å; L39-A43 PolarHBondContact O-N 3.46Å
40	T	95.6	Very high	92.9	Very high	81 Å²	81	86.9 Å²	86.9	50%	0.497	45%	0.454	S	S	.	.	H	α-helix	trans	-66.9	-39.7	177	57.3	0	0	0	0	111.8	T36 I37 L38 A43 M44	T36-T40 WeakPolarHBondContact O-CG2 3.23Å; T36-T40 PolarHBondContact O-N 3.44Å; T36-T40 PolarHBondContact O-OG1 3.26Å; I37-T40 PolarHBondContact O-N 2.7Å; I37-T40 PolarHBondContact O-OG1 3.48Å; L38-T40 VanDerWaalsContact C-N 3.32Å; L38-T40 PolarHBondContact O-N 3.19Å; T40-A43 PolarHBondContact O-N 3.04Å; T40-M44 WeakPolarHBondContact O-CB 3.16Å; T40-M44 VanDerWaalsContact O-CG 3.28Å; T40-M44 WeakPolarHBondContact O-CG 3.27Å; T40-M44 PolarHBondContact O-N 3.38Å
41	I	95.7	Very high	93.2	Very high	100 Å²	100	87 Å²	87	51%	0.513	46%	0.458	S	S	.	.	H	α-helix	trans	-60.8	-48.9	174.1	-67.7	165.2	0	0	0	110.5	I37 L38 A43 M44 V45	I37-I41 HydrophobicContact CG2-CD1 3.88Å; I37-I41 VanDerWaalsContact O-CG1 3.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.46Å; I37-I41 PolarHBondContact O-N 3.19Å; L38-I41 PolarHBondContact O-N 3.26Å; I41-A43 VanDerWaalsContact C-N 3.32Å; I41-A43 PolarHBondContact O-N 3.3Å; I41-M44 PolarHBondContact O-N 2.93Å; I41-V45 HydrophobicContact CG2-CG2 4.41Å; I41-V45 WeakPolarHBondContact O-CG2 3.28Å; I41-V45 PolarHBondContact O-N 3.49Å
42	I	95.6	Very high	93.2	Very high	90 Å²	90	89.5 Å²	89.5	46%	0.462	47%	0.471	S	S	.	.	H	α-helix	trans	-60.2	-44.3	177.2	-70	-175.3	0	0	0	110.5	L38 L39 M44 V45 V46	L38-I42 HydrophobicContact CD2-CD1 3.32Å; L38-I42 HydrophobicContact CD2-CG1 3.93Å; L38-I42 HydrophobicContact CG-CD1 4.3Å; L38-I42 WeakPolarHBondContact O-CG1 3.43Å; L38-I42 PolarHBondContact O-N 2.97Å; L39-I42 PolarHBondContact O-N 3.48Å; I42-M44 VanDerWaalsContact C-N 3.31Å; I42-M44 PolarHBondContact O-N 2.91Å; I42-V45 PolarHBondContact O-N 3.22Å; I42-V46 HydrophobicContact CG2-CG2 4.22Å; I42-V46 WeakPolarHBondContact O-CB 3.22Å; I42-V46 VanDerWaalsContact O-CG2 3.31Å; I42-V46 WeakPolarHBondContact O-CG2 3.31Å; I42-V46 PolarHBondContact O-N 2.96Å
43	A	96.6	Very high	93.3	Very high	56 Å²	56	91.7 Å²	91.7	46%	0.463	48%	0.477	S	S	.	.	H	α-helix	trans	-60.1	-42.2	177.3	0	0	0	0	0	111.6	L39 T40 I41 V46 Y47	L39-A43 VanDerWaalsContact O-CB 3.31Å; L39-A43 WeakPolarHBondContact O-CB 3.38Å; L39-A43 PolarHBondContact O-N 3.46Å; T40-A43 PolarHBondContact O-N 3.04Å; I41-A43 VanDerWaalsContact C-N 3.32Å; I41-A43 PolarHBondContact O-N 3.3Å; A43-V46 PolarHBondContact O-N 3.01Å; A43-Y47 VanDerWaalsContact O-CB 3.23Å; A43-Y47 WeakPolarHBondContact O-CB 3.31Å; A43-Y47 PolarHBondContact O-N 3.4Å
44	M	96.6	Very high	93.3	Very high	126 Å²	126	89.8 Å²	89.8	62%	0.621	47%	0.472	S	S	*	.	H	α-helix	trans	-65	-41.9	175.2	-72.9	-64	176.3	0	0	112.2	T40 I41 I42 Y47 T48	T40-M44 WeakPolarHBondContact O-CB 3.16Å; T40-M44 VanDerWaalsContact O-CG 3.28Å; T40-M44 WeakPolarHBondContact O-CG 3.27Å; T40-M44 PolarHBondContact O-N 3.38Å; I41-M44 PolarHBondContact O-N 2.93Å; I42-M44 VanDerWaalsContact C-N 3.31Å; I42-M44 PolarHBondContact O-N 2.91Å; M44-Y47 PolarHBondContact O-N 3.5Å; M44-T48 WeakPolarHBondContact O-CB 3.49Å; M44-T48 VanDerWaalsContact O-CG2 3.29Å; M44-T48 WeakPolarHBondContact O-CG2 3.39Å; M44-T48 PolarHBondContact O-N 2.75Å; M44-T48 PolarHBondContact O-OG1 3.28Å
45	V	96.3	Very high	93.3	Very high	86 Å²	86	90 Å²	90	52%	0.521	48%	0.477	S	S	.	.	H	α-helix	trans	-63.8	-43.4	175.7	172.8	0	0	0	0	111.1	I41 I42 T48 A49	I41-V45 HydrophobicContact CG2-CG2 4.41Å; I41-V45 WeakPolarHBondContact O-CG2 3.28Å; I41-V45 PolarHBondContact O-N 3.49Å; I42-V45 PolarHBondContact O-N 3.22Å; V45-T48 WeakPolarHBondContact CA-OG1 3.26Å; V45-T48 PolarHBondContact O-OG1 3.41Å; V45-A49 WeakPolarHBondContact O-CB 3.03Å; V45-A49 PolarHBondContact O-N 3Å
46	V	96.1	Very high	93.3	Very high	92 Å²	92	93 Å²	93	56%	0.558	49%	0.488	S	S	*	.	H	α-helix	trans	-65.7	-42.5	177.1	171.7	0	0	0	0	110.8	I42 A43 A49 Y50	I42-V46 HydrophobicContact CG2-CG2 4.22Å; I42-V46 WeakPolarHBondContact O-CB 3.22Å; I42-V46 VanDerWaalsContact O-CG2 3.31Å; I42-V46 WeakPolarHBondContact O-CG2 3.31Å; I42-V46 PolarHBondContact O-N 2.96Å; A43-V46 PolarHBondContact O-N 3.01Å; V46-A49 PolarHBondContact O-N 3.47Å; V46-Y50 VanDerWaalsContact O-CB 3.32Å; V46-Y50 WeakPolarHBondContact O-CB 3.4Å; V46-Y50 PolarHBondContact O-N 3.18Å
47	Y	95.5	Very high	93.2	Very high	151 Å²	151	94.9 Å²	94.9	59%	0.592	50%	0.495	S	S	*	.	H	α-helix	trans	-60.9	-50.9	177	174.4	-102.3	0	0	0	111.4	A43 M44 Y50 V51	A43-Y47 VanDerWaalsContact O-CB 3.23Å; A43-Y47 WeakPolarHBondContact O-CB 3.31Å; A43-Y47 PolarHBondContact O-N 3.4Å; M44-Y47 PolarHBondContact O-N 3.5Å; Y47-Y50 PolarHBondContact O-N 2.9Å; Y47-V51 HydrophobicContact CE1-CG2 4.42Å; Y47-V51 HydrophobicContact CE2-CG2 4.28Å; Y47-V51 WeakPolarHBondContact O-CG2 3.4Å; Y47-V51 PolarHBondContact O-N 2.94Å
48	T	93.9	Very high	93.1	Very high	57 Å²	57	99.5 Å²	99.5	35%	0.35	51%	0.507	S	S	.	.	H	α-helix	trans	-62.1	-46.3	177.5	51.6	0	0	0	0	111.1	M44 V45 Y50 V51 F52	M44-T48 WeakPolarHBondContact O-CB 3.49Å; M44-T48 VanDerWaalsContact O-CG2 3.29Å; M44-T48 WeakPolarHBondContact O-CG2 3.39Å; M44-T48 PolarHBondContact O-N 2.75Å; M44-T48 PolarHBondContact O-OG1 3.28Å; V45-T48 WeakPolarHBondContact CA-OG1 3.26Å; V45-T48 PolarHBondContact O-OG1 3.41Å; T48-Y50 VanDerWaalsContact C-N 3.33Å; T48-Y50 PolarHBondContact O-N 3Å; T48-V51 PolarHBondContact O-N 2.74Å; T48-V51 VanDerWaalsContact O-N 3.11Å; T48-F52 HydrophobicContact CG2-CE2 4.32Å; T48-F52 WeakPolarHBondContact O-CB 3.4Å; T48-F52 WeakPolarHBondContact O-CD2 3.26Å; T48-F52 PolarHBondContact O-N 3.11Å
49	A	93.8	Very high	93	Very high	37 Å²	37	102.1 Å²	102.1	31%	0.306	52%	0.52	S	S	.	.	H	α-helix	trans	-57.1	-45.6	175.6	0	0	0	0	0	111.7	V45 V46 V51 F52 I53	V45-A49 WeakPolarHBondContact O-CB 3.03Å; V45-A49 PolarHBondContact O-N 3Å; V46-A49 PolarHBondContact O-N 3.47Å; A49-V51 VanDerWaalsContact C-N 3.27Å; A49-V51 PolarHBondContact O-N 2.91Å; A49-F52 PolarHBondContact O-N 3.02Å; A49-I53 HydrophobicContact CB-CD1 4.05Å; A49-I53 VanDerWaalsContact O-CB 3.22Å; A49-I53 WeakPolarHBondContact O-CB 3.33Å; A49-I53 VanDerWaalsContact O-CD1 3.27Å; A49-I53 WeakPolarHBondContact O-CD1 3.3Å; A49-I53 WeakPolarHBondContact O-CG1 3.42Å; A49-I53 PolarHBondContact O-N 3.01Å
50	Y	92.2	Very high	92.9	Very high	190 Å²	190	99 Å²	99	75%	0.745	51%	0.512	S	S	*	.	H	α-helix	trans	-61	-35.3	177.6	-176.5	-98.3	0	0	0	112.7	V46 Y47 T48 P54	V46-Y50 VanDerWaalsContact O-CB 3.32Å; V46-Y50 WeakPolarHBondContact O-CB 3.4Å; V46-Y50 PolarHBondContact O-N 3.18Å; Y47-Y50 PolarHBondContact O-N 2.9Å; T48-Y50 VanDerWaalsContact C-N 3.33Å; T48-Y50 PolarHBondContact O-N 3Å; Y50-P54 WeakPolarHBondContact O-CD 3.42Å; Y50-P54 WeakPolarHBondContact O-CG 3.34Å
51	V	93	Very high	92.6	Very high	61 Å²	61	104.4 Å²	104.4	37%	0.37	52%	0.523	S	S	.	.	H	α-helix	trans	-76.4	-38.1	176.5	173.9	0	0	0	0	112	Y47 T48 A49 P54 I55	Y47-V51 HydrophobicContact CE1-CG2 4.42Å; Y47-V51 HydrophobicContact CE2-CG2 4.28Å; Y47-V51 WeakPolarHBondContact O-CG2 3.4Å; Y47-V51 PolarHBondContact O-N 2.94Å; T48-V51 PolarHBondContact O-N 2.74Å; T48-V51 VanDerWaalsContact O-N 3.11Å; A49-V51 VanDerWaalsContact C-N 3.27Å; A49-V51 PolarHBondContact O-N 2.91Å; V51-P54 WeakPolarHBondContact O-CD 3.44Å; V51-P54 VanDerWaalsContact O-CG 3.29Å; V51-P54 WeakPolarHBondContact O-CG 3.28Å; V51-I55 WeakPolarHBondContact O-CD1 3.38Å
52	F	89.6	Confident	92.3	Very high	112 Å²	112	104.8 Å²	104.8	49%	0.491	52%	0.522	S	S	.	.	H	α-helix	trans	-82.6	-38.5	-176	-73.4	-63.1	0	0	0	113.8	T48 A49 P54 I55 H56	T48-F52 HydrophobicContact CG2-CE2 4.32Å; T48-F52 WeakPolarHBondContact O-CB 3.4Å; T48-F52 WeakPolarHBondContact O-CD2 3.26Å; T48-F52 PolarHBondContact O-N 3.11Å; A49-F52 PolarHBondContact O-N 3.02Å; F52-P54 VanDerWaalsContact C-CD 3.49Å; F52-I55 PolarHBondContact O-N 3.06Å; F52-I55 VanDerWaalsContact O-N 3.11Å; F52-H56 PolarHBondContact O-CD2 2.93Å; F52-H56 PolarHBondContact O-N 3.4Å
53	I	91	Very high	91.9	Very high	106 Å²	106	107 Å²	107	54%	0.544	53%	0.529	S	S	.	.	H	α-helix	trans	-51.1	-47.4	178.7	-71.1	163.8	0	0	0	113.4	A49 I55 H56 I57	A49-I53 HydrophobicContact CB-CD1 4.05Å; A49-I53 VanDerWaalsContact O-CB 3.22Å; A49-I53 WeakPolarHBondContact O-CB 3.33Å; A49-I53 VanDerWaalsContact O-CD1 3.27Å; A49-I53 WeakPolarHBondContact O-CD1 3.3Å; A49-I53 WeakPolarHBondContact O-CG1 3.42Å; A49-I53 PolarHBondContact O-N 3.01Å; I53-I55 PolarHBondContact O-N 3.43Å; I53-H56 PolarHBondContact O-N 3.44Å; I53-I57 WeakPolarHBondContact O-CG2 3.42Å; I53-I57 PolarHBondContact O-N 3.08Å
54	P	89.2	Confident	91.5	Very high	59 Å²	59	110.8 Å²	110.8	38%	0.383	54%	0.535	S	S	.	.	H	α-helix	trans	-66.3	-25.5	-178.4	25.8	-36.1	0	0	0	113.3	Y50 V51 F52 I57 R58	Y50-P54 WeakPolarHBondContact O-CD 3.42Å; Y50-P54 WeakPolarHBondContact O-CG 3.34Å; V51-P54 WeakPolarHBondContact O-CD 3.44Å; V51-P54 VanDerWaalsContact O-CG 3.29Å; V51-P54 WeakPolarHBondContact O-CG 3.28Å; F52-P54 VanDerWaalsContact C-CD 3.49Å; P54-I57 WeakPolarHBondContact O-CG2 3.43Å; P54-R58 WeakPolarHBondContact O-CG 3.3Å; P54-R58 PolarHBondContact O-N 3.22Å
55	I	90.2	Very high	91.1	Very high	102 Å²	102	108 Å²	108	52%	0.523	53%	0.528	S	S	.	.	H	α-helix	trans	-76.5	-45.8	175.5	-63.4	158.6	0	0	0	108.9	V51 F52 I53 I57 R58 L59	V51-I55 WeakPolarHBondContact O-CD1 3.38Å; F52-I55 PolarHBondContact O-N 3.06Å; F52-I55 VanDerWaalsContact O-N 3.11Å; I53-I55 PolarHBondContact O-N 3.43Å; I55-I57 PolarHBondContact O-N 3.38Å; I55-R58 PolarHBondContact O-N 3.09Å; I55-L59 PolarHBondContact O-N 3.35Å; I55-L59 VanDerWaalsContact O-N 3.1Å
56	H	89.2	Confident	90.5	Very high	113 Å²	113	111.1 Å²	111.1	52%	0.523	54%	0.535	S	S	.	.	H	α-helix	trans	-65.5	-38	178.4	-68	-59.6	0	0	0	113	F52 I53 L59 A60	F52-H56 PolarHBondContact O-CD2 2.93Å; F52-H56 PolarHBondContact O-N 3.4Å; I53-H56 PolarHBondContact O-N 3.44Å; H56-L59 PolarHBondContact O-N 3.27Å; H56-A60 WeakPolarHBondContact O-CB 3.33Å; H56-A60 PolarHBondContact O-N 3.19Å
57	I	90.9	Very high	90	Very high	109 Å²	109	111 Å²	111	56%	0.559	53%	0.53	S	S	*	.	H	α-helix	trans	-67	-37.2	178.3	-165	68.1	0	0	0	111.7	I53 P54 I55 W61	I53-I57 WeakPolarHBondContact O-CG2 3.42Å; I53-I57 PolarHBondContact O-N 3.08Å; P54-I57 WeakPolarHBondContact O-CG2 3.43Å; I55-I57 PolarHBondContact O-N 3.38Å; I57-W61 VanDerWaalsContact O-CB 3.26Å; I57-W61 WeakPolarHBondContact O-CB 3.36Å; I57-W61 PolarHBondContact O-N 3.46Å
58	R	89.9	Confident	89.1	Confident	189 Å²	189	107.1 Å²	107.1	71%	0.713	52%	0.524	S	S	*	.	H	α-helix	trans	-65.8	-46.3	175.3	-76.2	178.6	178.4	-113.1	2.1	111.1	P54 I55 W61 E62	P54-R58 WeakPolarHBondContact O-CG 3.3Å; P54-R58 PolarHBondContact O-N 3.22Å; I55-R58 PolarHBondContact O-N 3.09Å; R58-W61 WeakPolarHBondContact O-CB 3.45Å; R58-W61 PolarHBondContact O-N 3.43Å; R58-E62 PolarHBondContact O-N 2.89Å
59	L	89.3	Confident	88	Confident	111 Å²	111	106 Å²	106	58%	0.581	52%	0.524	S	S	*	.	H	α-helix	trans	-64.1	-42	177.3	-173.7	64.4	0	0	0	111.7	I55 H56 W61 E62 F63	I55-L59 PolarHBondContact O-N 3.35Å; I55-L59 VanDerWaalsContact O-N 3.1Å; H56-L59 PolarHBondContact O-N 3.27Å; L59-W61 VanDerWaalsContact C-N 3.33Å; L59-W61 PolarHBondContact O-N 3.44Å; L59-E62 PolarHBondContact O-N 3.02Å; L59-F63 VanDerWaalsContact O-CB 3.28Å; L59-F63 WeakPolarHBondContact O-CB 3.09Å; L59-F63 PolarHBondContact O-N 3.24Å
60	A	90.4	Very high	86.4	Confident	52 Å²	52	111.9 Å²	111.9	43%	0.43	54%	0.54	S	S	.	.	H	α-helix	trans	-62.9	-40.2	175.3	0	0	0	0	0	111.6	H56 F63 F64	H56-A60 WeakPolarHBondContact O-CB 3.33Å; H56-A60 PolarHBondContact O-N 3.19Å; A60-F63 PolarHBondContact O-N 3.46Å; A60-F64 VanDerWaalsContact O-CB 3.27Å; A60-F64 WeakPolarHBondContact O-CB 3.46Å; A60-F64 PolarHBondContact O-N 3.45Å
61	W	89.9	Confident	84.8	Confident	193 Å²	193	109.5 Å²	109.5	73%	0.731	54%	0.535	S	S	*	.	H	α-helix	trans	-63	-47.6	175.4	-176.8	-91.7	0	0	0	112.1	I57 R58 L59 F63 F64 S65	I57-W61 VanDerWaalsContact O-CB 3.26Å; I57-W61 WeakPolarHBondContact O-CB 3.36Å; I57-W61 PolarHBondContact O-N 3.46Å; R58-W61 WeakPolarHBondContact O-CB 3.45Å; R58-W61 PolarHBondContact O-N 3.43Å; L59-W61 VanDerWaalsContact C-N 3.33Å; L59-W61 PolarHBondContact O-N 3.44Å; W61-F63 PolarHBondContact O-N 2.91Å; W61-F64 PolarHBondContact O-N 2.95Å; W61-S65 WeakPolarHBondContact O-CB 3.49Å; W61-S65 PolarHBondContact O-N 3.41Å
62	E	89.1	Confident	83.1	Confident	108 Å²	108	110.2 Å²	110.2	51%	0.505	54%	0.542	S	S	.	.	H	α-helix	trans	-62.8	-41.5	176.4	-73.1	-176.3	-171.3	0	0	112.4	R58 L59 K66	R58-E62 PolarHBondContact O-N 2.89Å; L59-E62 PolarHBondContact O-N 3.02Å; E62-K66 WeakPolarHBondContact O-CB 3.42Å; E62-K66 WeakPolarHBondContact O-CG 3.49Å; E62-K66 PolarHBondContact O-N 3.46Å
63	F	88.1	Confident	81.5	Confident	137 Å²	137	109.6 Å²	109.6	60%	0.601	55%	0.548	S	S	*	.	H	α-helix	trans	-63.5	-47.1	177	-176.6	-103.6	0	0	0	111.4	L59 A60 W61 K66 I67	L59-F63 VanDerWaalsContact O-CB 3.28Å; L59-F63 WeakPolarHBondContact O-CB 3.09Å; L59-F63 PolarHBondContact O-N 3.24Å; A60-F63 PolarHBondContact O-N 3.46Å; W61-F63 PolarHBondContact O-N 2.91Å; F63-K66 PolarHBondContact O-N 3.03Å; F63-I67 HydrophobicContact CD1-CD1 3.59Å; F63-I67 HydrophobicContact CD2-CD1 4.32Å; F63-I67 HydrophobicContact CE1-CD1 3.15Å; F63-I67 HydrophobicContact CE1-CG1 4.48Å; F63-I67 HydrophobicContact CE2-CD1 3.94Å; F63-I67 HydrophobicContact CG-CD1 4.17Å; F63-I67 HydrophobicContact CZ-CD1 3.36Å; F63-I67 WeakPolarHBondContact O-CG1 3.4Å; F63-I67 PolarHBondContact O-N 3.3Å
64	F	87.9	Confident	79.9	Confident	136 Å²	136	110 Å²	110	60%	0.596	55%	0.55	S	S	*	*	H	α-helix	trans	-68.2	-38	178.3	-166.9	-96.2	0	0	0	112.1	A60 W61 I67 C68	A60-F64 VanDerWaalsContact O-CB 3.27Å; A60-F64 WeakPolarHBondContact O-CB 3.46Å; A60-F64 PolarHBondContact O-N 3.45Å; W61-F64 PolarHBondContact O-N 2.95Å; F64-I67 PolarHBondContact O-N 2.95Å; F64-C68 HydrophobicContact CD1-CB 4.29Å; F64-C68 HydrophobicContact CE1-CB 4.07Å; F64-C68 WeakPolarHBondContact O-CB 3.4Å; F64-C68 PolarHBondContact O-N 3.45Å
65	S	86.9	Confident	78.2	Confident	68 Å²	68	111.8 Å²	111.8	48%	0.476	56%	0.564	S	S	.	*	H	α-helix	trans	-61.8	-42.9	174.7	176	0	0	0	0	111.7	W61 G69	W61-S65 WeakPolarHBondContact O-CB 3.49Å; W61-S65 PolarHBondContact O-N 3.41Å; S65-G69 WeakPolarHBondContact O-CA 3.31Å; S65-G69 PolarHBondContact O-N 3.12Å
66	K	84.6	Confident	76.4	Confident	151 Å²	151	116.5 Å²	116.5	66%	0.657	59%	0.59	S	S	*	*	H	α-helix	trans	-64.2	-44.7	174.4	-75.5	172.4	179.1	164.8	0	112.1	E62 F63 Y70	E62-K66 WeakPolarHBondContact O-CB 3.42Å; E62-K66 WeakPolarHBondContact O-CG 3.49Å; E62-K66 PolarHBondContact O-N 3.46Å; F63-K66 PolarHBondContact O-N 3.03Å; K66-Y70 VanDerWaalsContact O-CB 3.22Å; K66-Y70 WeakPolarHBondContact O-CB 3.48Å; K66-Y70 PolarHBondContact O-N 3.47Å
67	I	85	Confident	75.8	Confident	89 Å²	89	116.7 Å²	116.7	46%	0.456	59%	0.594	S	S	.	*	H	α-helix	trans	-67	-48.5	-179.8	-71.7	172.2	0	0	0	111.8	F63 F64 Y70 H71	F63-I67 HydrophobicContact CD1-CD1 3.59Å; F63-I67 HydrophobicContact CD2-CD1 4.32Å; F63-I67 HydrophobicContact CE1-CD1 3.15Å; F63-I67 HydrophobicContact CE1-CG1 4.48Å; F63-I67 HydrophobicContact CE2-CD1 3.94Å; F63-I67 HydrophobicContact CG-CD1 4.17Å; F63-I67 HydrophobicContact CZ-CD1 3.36Å; F63-I67 WeakPolarHBondContact O-CG1 3.4Å; F63-I67 PolarHBondContact O-N 3.3Å; F64-I67 PolarHBondContact O-N 2.95Å; I67-Y70 PolarHBondContact O-N 3.08Å; I67-H71 PolarHBondContact O-N 3.45Å
68	C	77.9	Confident	75	Confident	69 Å²	69	117.1 Å²	117.1	47%	0.466	60%	0.595	S	S	.	*	H	α-helix	trans	-70.5	-40.1	-177.9	-161.1	0	0	0	0	111.3	F64 Y70 H71 S72	F64-C68 HydrophobicContact CD1-CB 4.29Å; F64-C68 HydrophobicContact CE1-CB 4.07Å; F64-C68 WeakPolarHBondContact O-CB 3.4Å; F64-C68 PolarHBondContact O-N 3.45Å; C68-Y70 VanDerWaalsContact C-N 3.33Å; C68-Y70 PolarHBondContact O-N 3.21Å; C68-H71 WeakPolarHBondContact O-CB 3.35Å; C68-H71 PolarHBondContact O-N 3.3Å; C68-S72 PolarHBondContact O-N 3.01Å
69	G	69.7	Low	74.1	Confident	34 Å²	34	113.1 Å²	113.1	35%	0.351	59%	0.589	S	S	.	*	H	α-helix	trans	-65.6	-32.8	174.6	0	0	0	0	0	113.7	S65 S72 T73	S65-G69 WeakPolarHBondContact O-CA 3.31Å; S65-G69 PolarHBondContact O-N 3.12Å; G69-S72 WeakPolarHBondContact CA-OG 3.26Å; G69-S72 PolarHBondContact O-N 3.02Å; G69-S72 PolarHBondContact O-OG 3.35Å; G69-T73 PolarHBondContact O-OG1 3.26Å
70	Y	60.9	Low	73.2	Confident	161 Å²	161	113.2 Å²	113.2	63%	0.631	59%	0.589	S	S	*	*	H	α-helix	trans	-69.1	-36	173.3	-165.5	-106.4	0	0	0	111.8	K66 I67 C68 S72 T73 I74	K66-Y70 VanDerWaalsContact O-CB 3.22Å; K66-Y70 WeakPolarHBondContact O-CB 3.48Å; K66-Y70 PolarHBondContact O-N 3.47Å; I67-Y70 PolarHBondContact O-N 3.08Å; C68-Y70 VanDerWaalsContact C-N 3.33Å; C68-Y70 PolarHBondContact O-N 3.21Å; Y70-S72 VanDerWaalsContact C-N 3.33Å; Y70-S72 PolarHBondContact O-N 3.36Å; Y70-T73 PolarHBondContact O-N 2.91Å; Y70-T73 VanDerWaalsContact O-N 3.11Å; Y70-I74 HydrophobicContact CD1-CD1 3.88Å; Y70-I74 HydrophobicContact CE1-CD1 3.31Å; Y70-I74 HydrophobicContact CE1-CG1 4.3Å; Y70-I74 PolarHBondContact O-N 3.01Å
71	H	58.9	Low	72.2	Confident	140 Å²	140	117.1 Å²	117.1	65%	0.648	60%	0.599	S	S	*	*	H	α-helix	trans	-63.1	-38.4	175.8	-166.5	74	0	0	0	112.4	I67 C68 T73 I74 S75	I67-H71 PolarHBondContact O-N 3.45Å; C68-H71 WeakPolarHBondContact O-CB 3.35Å; C68-H71 PolarHBondContact O-N 3.3Å; H71-T73 PolarHBondContact O-N 2.99Å; H71-I74 PolarHBondContact O-N 3.19Å; H71-S75 PolarHBondContact O-N 3Å
72	S	56.7	Low	71	Confident	75 Å²	75	112 Å²	112	52%	0.524	59%	0.591	S	S	.	*	H	α-helix	trans	-66.2	-17.1	175.1	42	0	0	0	0	114.5	C68 G69 Y70	C68-S72 PolarHBondContact O-N 3.01Å; G69-S72 WeakPolarHBondContact CA-OG 3.26Å; G69-S72 PolarHBondContact O-N 3.02Å; G69-S72 PolarHBondContact O-OG 3.35Å; Y70-S72 VanDerWaalsContact C-N 3.33Å; Y70-S72 PolarHBondContact O-N 3.36Å
73	T	55.7	Low	69.7	Low	100 Å²	100	112.3 Å²	112.3	61%	0.613	60%	0.597	S	S	*	*	H	α-helix	trans	-91.9	-22.3	-179.8	-44.9	0	0	0	0	112.8	G69 Y70 H71	G69-T73 PolarHBondContact O-OG1 3.26Å; Y70-T73 PolarHBondContact O-N 2.91Å; Y70-T73 VanDerWaalsContact O-N 3.11Å; H71-T73 PolarHBondContact O-N 2.99Å
74	I	58.1	Low	68.3	Low	115 Å²	115	110.4 Å²	110.4	59%	0.59	60%	0.596	S	S	*	*	H	α-helix	trans	-87.9	-20.1	177.9	-69.2	175.8	0	0	0	112.3	Y70 H71 N76	Y70-I74 HydrophobicContact CD1-CD1 3.88Å; Y70-I74 HydrophobicContact CE1-CD1 3.31Å; Y70-I74 HydrophobicContact CE1-CG1 4.3Å; Y70-I74 PolarHBondContact O-N 3.01Å; H71-I74 PolarHBondContact O-N 3.19Å; I74-N76 VanDerWaalsContact C-N 3.35Å
75	S	53.3	Low	66.6	Low	95 Å²	95	108.3 Å²	108.3	66%	0.664	60%	0.596	S	S	*	*			trans	-84.2	-4.8	178.8	-172.3	0	0	0	0	114.6	H71	H71-S75 PolarHBondContact O-N 3Å
76	N	51.9	Low	64.8	Low	202 Å²	202	111.9 Å²	111.9	100%	1.08	61%	0.607	S	S	*	*			trans	-110.3	0	171.1	-88.5	-6.2	0	0	0	109.7	I74	I74-N76 VanDerWaalsContact C-N 3.35Å

Retrieved 76 of 76 residues in 335.6 ms (Link to these results)

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