A0A061IBM0_CRIGR Loading...

Uteroglobin

Binds phosphatidylcholine, phosphatidylinositol, polychlorinated biphenyls (PCB) and weakly progesterone, potent inhibitor of phospholipase A2.

AlphaFold DB , UniProt , Accession A0A061IBM0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Scgb1a1, Length 96 aa.

						>A0A061IBM0_CRIGR|A0A061IBM0|Scgb1a1
MKIAITITVAMLSICCISASSDTCPGFFQVLEFLFMGSESSYEAALKFYNPGSDLQNSGIQLKKLVDTLPQKTRMNIMKLSEIILTSPLCNQDLSV
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	46.9	Very low	49.3	Very low	220 Å²	220	113.6 Å²	113.6	100%	1.084	62%	0.62	S	S	*	*				0	1.2	0	-92.4	-178.1	172.2	0	0	115.8
2	K	44.3	Very low	48.9	Very low	186 Å²	186	112.8 Å²	112.8	81%	0.809	61%	0.614	S	S	*	*			trans	-88.8	-26.3	174.7	-81.4	-179.5	171.1	179.6	0	114.4	T6	K2-T6 PolarHBondContact O-OG1 3.41Å; K2-T6 VanDerWaalsContact O-OG1 3.07Å
3	I	48.7	Very low	48.7	Very low	132 Å²	132	109.2 Å²	109.2	68%	0.677	60%	0.602	S	S	*	*	H	α-helix	trans	-74.6	-34.4	-174.6	-47.7	-176.3	0	0	0	112.2	I5 T6 I7	I3-I5 VanDerWaalsContact C-N 3.26Å; I3-I5 PolarHBondContact O-N 2.92Å; I3-T6 PolarHBondContact O-N 3.41Å; I3-I7 HydrophobicContact CG2-CD1 4.2Å; I3-I7 WeakPolarHBondContact O-CG1 3.07Å; I3-I7 PolarHBondContact O-N 3.49Å
4	A	46.6	Very low	48.8	Very low	67 Å²	67	110.2 Å²	110.2	55%	0.554	60%	0.604	S	S	*	*	H	α-helix	trans	-64.9	-30.3	179	0	0	0	0	0	113	T8	A4-T8 PolarHBondContact O-N 2.92Å; A4-T8 PolarHBondContact O-OG1 2.79Å
5	I	51.8	Low	48.6	Very low	109 Å²	109	108.9 Å²	108.9	56%	0.559	61%	0.605	S	S	*	*	H	α-helix	trans	-77.5	-36.8	-179.9	-57.2	173.5	0	0	0	110.2	I3 I7 T8 V9	I3-I5 VanDerWaalsContact C-N 3.26Å; I3-I5 PolarHBondContact O-N 2.92Å; I5-I7 VanDerWaalsContact C-N 3.35Å; I5-I7 PolarHBondContact O-N 2.71Å; I5-T8 WeakPolarHBondContact CA-OG1 3.49Å; I5-T8 PolarHBondContact O-N 2.83Å; I5-T8 PolarHBondContact O-OG1 3.18Å; I5-T8 VanDerWaalsContact O-OG1 3.06Å; I5-V9 WeakPolarHBondContact O-CG2 3.49Å; I5-V9 PolarHBondContact O-N 3.05Å; I5-V9 VanDerWaalsContact O-N 3.1Å
6	T	50	Low	48.3	Very low	97 Å²	97	108.7 Å²	108.7	60%	0.595	61%	0.611	S	S	*	*	H	α-helix	trans	-67.1	-36.7	177.1	-32	0	0	0	0	112.1	K2 I3 V9 A10	K2-T6 PolarHBondContact O-OG1 3.41Å; K2-T6 VanDerWaalsContact O-OG1 3.07Å; I3-T6 PolarHBondContact O-N 3.41Å; T6-V9 PolarHBondContact O-N 3.29Å; T6-A10 PolarHBondContact O-N 2.87Å; T6-A10 VanDerWaalsContact O-N 3.08Å
7	I	52.8	Low	48.2	Very low	99 Å²	99	110.6 Å²	110.6	51%	0.508	62%	0.618	S	S	.	*	H	α-helix	trans	-68.4	-38.3	177.9	-64	168.2	0	0	0	111	I3 I5 A10 M11	I3-I7 HydrophobicContact CG2-CD1 4.2Å; I3-I7 WeakPolarHBondContact O-CG1 3.07Å; I3-I7 PolarHBondContact O-N 3.49Å; I5-I7 VanDerWaalsContact C-N 3.35Å; I5-I7 PolarHBondContact O-N 2.71Å; I7-A10 PolarHBondContact O-N 3.29Å; I7-M11 VanDerWaalsContact O-CG 3.32Å; I7-M11 WeakPolarHBondContact O-CG 3.38Å; I7-M11 PolarHBondContact O-N 3.06Å; I7-M11 VanDerWaalsContact O-N 3.12Å
8	T	51.3	Low	48	Very low	78 Å²	78	106.6 Å²	106.6	48%	0.479	60%	0.599	S	S	.	*	H	α-helix	trans	-69	-38.4	177.4	21.6	0	0	0	0	112	A4 I5 M11 L12	A4-T8 PolarHBondContact O-N 2.92Å; A4-T8 PolarHBondContact O-OG1 2.79Å; I5-T8 WeakPolarHBondContact CA-OG1 3.49Å; I5-T8 PolarHBondContact O-N 2.83Å; I5-T8 PolarHBondContact O-OG1 3.18Å; I5-T8 VanDerWaalsContact O-OG1 3.06Å; T8-M11 PolarHBondContact O-N 3.16Å; T8-L12 WeakPolarHBondContact O-CB 3.09Å; T8-L12 WeakPolarHBondContact O-CD1 3.48Å; T8-L12 PolarHBondContact O-N 3.01Å
9	V	48.7	Very low	47.7	Very low	89 Å²	89	106.7 Å²	106.7	54%	0.539	62%	0.615	S	S	.	*	H	α-helix	trans	-67.5	-37.5	175.8	175.1	0	0	0	0	112	I5 T6 L12 S13	I5-V9 WeakPolarHBondContact O-CG2 3.49Å; I5-V9 PolarHBondContact O-N 3.05Å; I5-V9 VanDerWaalsContact O-N 3.1Å; T6-V9 PolarHBondContact O-N 3.29Å; V9-L12 PolarHBondContact O-N 3.33Å; V9-S13 WeakPolarHBondContact O-CB 3.49Å; V9-S13 PolarHBondContact O-N 2.99Å; V9-S13 PolarHBondContact O-OG 3.46Å
10	A	51.7	Low	48	Very low	50 Å²	50	106.4 Å²	106.4	41%	0.413	62%	0.619	S	S	.	*	H	α-helix	trans	-63.1	-42.3	174.1	0	0	0	0	0	111.8	T6 I7 S13 I14	T6-A10 PolarHBondContact O-N 2.87Å; T6-A10 VanDerWaalsContact O-N 3.08Å; I7-A10 PolarHBondContact O-N 3.29Å; A10-S13 PolarHBondContact O-N 3.02Å; A10-S13 PolarHBondContact O-OG 3.03Å; A10-I14 WeakPolarHBondContact O-CD1 3.14Å; A10-I14 WeakPolarHBondContact O-CG1 3.06Å; A10-I14 PolarHBondContact O-N 3.27Å
11	M	49.8	Very low	48.1	Very low	123 Å²	123	105.1 Å²	105.1	61%	0.606	62%	0.616	S	S	*	*	H	α-helix	trans	-65.1	-39.7	174.4	-68.8	-70.1	-170	0	0	112.4	I7 T8 I14 C15	I7-M11 VanDerWaalsContact O-CG 3.32Å; I7-M11 WeakPolarHBondContact O-CG 3.38Å; I7-M11 PolarHBondContact O-N 3.06Å; I7-M11 VanDerWaalsContact O-N 3.12Å; T8-M11 PolarHBondContact O-N 3.16Å; M11-I14 PolarHBondContact O-N 2.97Å; M11-C15 PolarHBondContact O-N 3.49Å; M11-C15 VanDerWaalsContact O-N 3.15Å
12	L	43.7	Very low	48.7	Very low	104 Å²	104	101.8 Å²	101.8	55%	0.545	60%	0.603	S	S	.	*	H	α-helix	trans	-66.9	-38	175.7	-84.7	152.3	0	0	0	112.3	T8 V9 I14 C15 C16	T8-L12 WeakPolarHBondContact O-CB 3.09Å; T8-L12 WeakPolarHBondContact O-CD1 3.48Å; T8-L12 PolarHBondContact O-N 3.01Å; V9-L12 PolarHBondContact O-N 3.33Å; L12-I14 PolarHBondContact O-N 3.18Å; L12-C15 CarbonylContact O-C 3.57Å; L12-C15 PolarHBondContact O-N 3.31Å; L12-C16 PolarHBondContact O-N 3.19Å; L12-C16 PolarHBondContact O-SG 3.35Å
13	S	47	Very low	49.6	Very low	66 Å²	66	95.8 Å²	95.8	46%	0.462	58%	0.581	S	S	.	*	H	α-helix	trans	-67.5	-24.9	176.5	67.4	0	0	0	0	113.3	V9 A10	V9-S13 WeakPolarHBondContact O-CB 3.49Å; V9-S13 PolarHBondContact O-N 2.99Å; V9-S13 PolarHBondContact O-OG 3.46Å; A10-S13 PolarHBondContact O-N 3.02Å; A10-S13 PolarHBondContact O-OG 3.03Å
14	I	49.3	Very low	51	Low	123 Å²	123	93.1 Å²	93.1	63%	0.631	57%	0.574	S	S	*	*	H	α-helix	trans	-76.1	-34	170.9	-64.1	162.6	0	0	0	110.2	A10 M11 L12	A10-I14 WeakPolarHBondContact O-CD1 3.14Å; A10-I14 WeakPolarHBondContact O-CG1 3.06Å; A10-I14 PolarHBondContact O-N 3.27Å; M11-I14 PolarHBondContact O-N 2.97Å; L12-I14 PolarHBondContact O-N 3.18Å
15	C	46.3	Very low	52.7	Low	91 Å²	91	94.8 Å²	94.8	62%	0.615	58%	0.579	S	S	*	*	H	α-helix	trans	-77.7	-20.8	176.4	-76.2	0	0	0	0	114.9	M11 L12	M11-C15 PolarHBondContact O-N 3.49Å; M11-C15 VanDerWaalsContact O-N 3.15Å; L12-C15 CarbonylContact O-C 3.57Å; L12-C15 PolarHBondContact O-N 3.31Å
16	C	43.7	Very low	54.4	Low	105 Å²	105	90.3 Å²	90.3	71%	0.709	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-3.3	-177.5	-68.3	0	0	0	0	114.5	L12	L12-C16 PolarHBondContact O-N 3.19Å; L12-C16 PolarHBondContact O-SG 3.35Å
17	I	46	Very low	56.1	Low	141 Å²	141	91.5 Å²	91.5	72%	0.723	56%	0.557	S	S	*	*	S	Bend	trans	-102.5	66.7	172.4	-51.2	168.4	0	0	0	108.2
18	S	44.8	Very low	57.8	Low	39 Å²	39	89.6 Å²	89.6	27%	0.273	55%	0.545	S	S	.	.			trans	177.4	93	152.5	39.8	0	0	0	0	115.9	S21	S18-S21 VanDerWaalsContact CB-N 3.3Å; S18-S21 VanDerWaalsContact OG-CB 3.29Å; S18-S21 WeakPolarHBondContact OG-CB 3.37Å
19	A	42.1	Very low	59.7	Low	109 Å²	109	90.9 Å²	90.9	90%	0.901	55%	0.545	S	S	*	.	S	Bend	trans	-80.1	10.2	149.8	0	0	0	0	0	112.4
20	S	54.4	Low	61.8	Low	99 Å²	99	87.4 Å²	87.4	69%	0.692	53%	0.525	S	S	*	.	S	Bend	trans	-173.8	82.4	163.3	63.4	0	0	0	0	108.5	D22	S20-D22 PolarHBondContact O-N 3.03Å
21	S	50.2	Low	63.8	Low	80 Å²	80	86.9 Å²	86.9	56%	0.559	52%	0.515	S	S	*	.			trans	-89.2	82.3	178	149.4	0	0	0	0	108.6	S18 T23	S18-S21 VanDerWaalsContact CB-N 3.3Å; S18-S21 VanDerWaalsContact OG-CB 3.29Å; S18-S21 WeakPolarHBondContact OG-CB 3.37Å; S21-T23 PolarHBondContact O-N 3.06Å; S21-T23 VanDerWaalsContact O-N 3.09Å
22	D	58.5	Low	66	Low	151 Å²	151	86.2 Å²	86.2	81%	0.807	51%	0.51	S	S	*	.			trans	-56.1	117.4	152.6	-71.4	-42	0	0	0	107.1	S20 C24	S20-D22 PolarHBondContact O-N 3.03Å; D22-C24 PolarHBondContact O-N 3.4Å
23	T	63.9	Low	68.5	Low	59 Å²	59	84.1 Å²	84.1	36%	0.362	50%	0.497	S	S	.	.			trans	-37.9	131	178.2	50.2	0	0	0	0	113.4	S21 P25 F28	S21-T23 PolarHBondContact O-N 3.06Å; S21-T23 VanDerWaalsContact O-N 3.09Å; T23-P25 WeakPolarHBondContact O-CD 3.43Å; T23-P25 VanDerWaalsContact O-N 3.16Å; T23-F28 VanDerWaalsContact CB-CZ 3.44Å; T23-F28 HydrophobicContact CG2-CE2 3.91Å; T23-F28 HydrophobicContact CG2-CZ 3.66Å; T23-F28 WeakPolarHBondContact OG1-CE2 3.45Å
24	C	78.7	Confident	70.9	Confident	76 Å²	76	81.5 Å²	81.5	51%	0.514	48%	0.477	S	S	.	.			trans	-63.9	109.9	-177.5	178.1	0	0	0	0	112	D22 G26 F27 F28	D22-C24 PolarHBondContact O-N 3.4Å; C24-G26 VanDerWaalsContact C-N 3.26Å; C24-G26 PolarHBondContact O-N 3.43Å; C24-F27 HydrophobicContact CB-CB 4.09Å; C24-F27 WeakPolarHBondContact O-CB 3.15Å; C24-F27 PolarHBondContact O-N 3.44Å; C24-F27 VanDerWaalsContact O-N 3.09Å; C24-F28 PolarHBondContact O-N 3.29Å
25	P	81.7	Confident	73.2	Confident	103 Å²	103	76.9 Å²	76.9	67%	0.669	45%	0.453	S	S	*	.	H	α-helix	trans	-62.1	-34.2	-175.3	-23.9	35.4	0	0	0	113	T23 F27 F28 Q29	T23-P25 WeakPolarHBondContact O-CD 3.43Å; T23-P25 VanDerWaalsContact O-N 3.16Å; P25-F27 VanDerWaalsContact C-N 3.33Å; P25-F27 PolarHBondContact O-N 2.79Å; P25-F28 PolarHBondContact O-N 3.49Å; P25-Q29 PolarHBondContact O-N 2.81Å
26	G	87.5	Confident	75.6	Confident	15 Å²	15	76.5 Å²	76.5	16%	0.155	44%	0.443	C	S	.	.	H	α-helix	trans	-65.8	-34.8	178.2	0	0	0	0	0	113.1	C24 Q29 V30 Y49	C24-G26 VanDerWaalsContact C-N 3.26Å; C24-G26 PolarHBondContact O-N 3.43Å; G26-Q29 PolarHBondContact O-N 3.18Å; G26-V30 WeakPolarHBondContact O-CG2 3.47Å; G26-V30 PolarHBondContact O-N 3.35Å; G26-V30 VanDerWaalsContact O-N 3.12Å; G26-Y49 VanDerWaalsContact C-OH 3.26Å; G26-Y49 WeakPolarHBondContact CA-OH 3.47Å; G26-Y49 PolarHBondContact O-OH 2.93Å
27	F	86.8	Confident	78	Confident	121 Å²	121	72.2 Å²	72.2	53%	0.531	42%	0.416	S	S	.	.	H	α-helix	trans	-66	-41	175.4	-177.3	-107.5	0	0	0	111.5	C24 P25 Q29 V30 L31	C24-F27 HydrophobicContact CB-CB 4.09Å; C24-F27 WeakPolarHBondContact O-CB 3.15Å; C24-F27 PolarHBondContact O-N 3.44Å; C24-F27 VanDerWaalsContact O-N 3.09Å; P25-F27 VanDerWaalsContact C-N 3.33Å; P25-F27 PolarHBondContact O-N 2.79Å; F27-Q29 VanDerWaalsContact C-N 3.34Å; F27-Q29 PolarHBondContact O-N 2.86Å; F27-V30 PolarHBondContact O-N 3.34Å; F27-L31 HydrophobicContact CD1-CD1 4Å; F27-L31 HydrophobicContact CD1-CG 4.46Å; F27-L31 HydrophobicContact CE1-CD1 3.5Å; F27-L31 HydrophobicContact CE1-CG 4.09Å; F27-L31 HydrophobicContact CZ-CD1 4.04Å; F27-L31 HydrophobicContact CZ-CD2 4.38Å; F27-L31 HydrophobicContact CZ-CG 4.24Å; F27-L31 PolarHBondContact O-N 2.73Å
28	F	87.4	Confident	80.5	Confident	59 Å²	59	68.3 Å²	68.3	26%	0.259	40%	0.402	S	S	.	.	H	α-helix	trans	-65.3	-38.4	175.4	-65.3	-39.8	0	0	0	113.1	T23 C24 P25 V30 L31 E32 L85	T23-F28 VanDerWaalsContact CB-CZ 3.44Å; T23-F28 HydrophobicContact CG2-CE2 3.91Å; T23-F28 HydrophobicContact CG2-CZ 3.66Å; T23-F28 WeakPolarHBondContact OG1-CE2 3.45Å; C24-F28 PolarHBondContact O-N 3.29Å; P25-F28 PolarHBondContact O-N 3.49Å; F28-V30 VanDerWaalsContact C-N 3.29Å; F28-V30 PolarHBondContact O-N 3.39Å; F28-L31 HydrophobicContact CD1-CD1 4.45Å; F28-L31 PolarHBondContact O-N 2.69Å; F28-E32 WeakPolarHBondContact O-CB 3.46Å; F28-E32 PolarHBondContact O-N 2.98Å; F28-L85 HydrophobicContact CD1-CD1 4.02Å; F28-L85 HydrophobicContact CE1-CD1 3.19Å; F28-L85 HydrophobicContact CE1-CD2 3.73Å; F28-L85 HydrophobicContact CE1-CG 4.06Å; F28-L85 HydrophobicContact CZ-CD1 3.54Å; F28-L85 HydrophobicContact CZ-CD2 3.78Å; F28-L85 HydrophobicContact CZ-CG 4.19Å
29	Q	90.7	Very high	82.9	Confident	105 Å²	105	69.9 Å²	69.9	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-60.7	-41	175	-172.6	175.9	34.8	0	0	111.6	P25 G26 F27 E32 F33	P25-Q29 PolarHBondContact O-N 2.81Å; G26-Q29 PolarHBondContact O-N 3.18Å; F27-Q29 VanDerWaalsContact C-N 3.34Å; F27-Q29 PolarHBondContact O-N 2.86Å; Q29-E32 PolarHBondContact O-N 3.38Å; Q29-F33 HydrophobicContact CG-CD2 3.93Å; Q29-F33 HydrophobicContact CG-CE2 3.54Å; Q29-F33 HydrophobicContact CG-CZ 4.47Å; Q29-F33 WeakPolarHBondContact O-CD2 3.47Å; Q29-F33 PolarHBondContact O-N 3.03Å
30	V	94.6	Very high	85.5	Confident	17 Å²	17	68.6 Å²	68.6	10%	0.103	39%	0.389	C	S	.	.	H	α-helix	trans	-63.6	-41.6	174.9	173.2	0	0	0	0	111.4	G26 F27 F28 F33 L34 Y42 A45 L46 Y49	G26-V30 WeakPolarHBondContact O-CG2 3.47Å; G26-V30 PolarHBondContact O-N 3.35Å; G26-V30 VanDerWaalsContact O-N 3.12Å; F27-V30 PolarHBondContact O-N 3.34Å; F28-V30 VanDerWaalsContact C-N 3.29Å; F28-V30 PolarHBondContact O-N 3.39Å; V30-F33 PolarHBondContact O-N 3.43Å; V30-L34 WeakPolarHBondContact O-CB 3.41Å; V30-L34 PolarHBondContact O-N 3.17Å; V30-Y42 HydrophobicContact CG1-CD2 4.41Å; V30-Y42 HydrophobicContact CG1-CE2 3.67Å; V30-A45 HydrophobicContact CG2-CB 4.22Å; V30-L46 HydrophobicContact CG1-CD2 3.92Å; V30-Y49 HydrophobicContact CG2-CD2 4.43Å; V30-Y49 HydrophobicContact CG2-CE2 3.71Å
31	L	93.6	Very high	87.5	Confident	39 Å²	39	65.3 Å²	65.3	20%	0.204	37%	0.366	C	S	.	.	H	α-helix	trans	-65.3	-39.8	175.4	-72	-179.9	0	0	0	112.4	F27 F28 F33 L34 F35	F27-L31 HydrophobicContact CD1-CD1 4Å; F27-L31 HydrophobicContact CD1-CG 4.46Å; F27-L31 HydrophobicContact CE1-CD1 3.5Å; F27-L31 HydrophobicContact CE1-CG 4.09Å; F27-L31 HydrophobicContact CZ-CD1 4.04Å; F27-L31 HydrophobicContact CZ-CD2 4.38Å; F27-L31 HydrophobicContact CZ-CG 4.24Å; F27-L31 PolarHBondContact O-N 2.73Å; F28-L31 HydrophobicContact CD1-CD1 4.45Å; F28-L31 PolarHBondContact O-N 2.69Å; L31-F33 PolarHBondContact O-N 3.48Å; L31-L34 HydrophobicContact CD2-CD2 4.29Å; L31-L34 WeakPolarHBondContact O-CB 3.33Å; L31-L34 PolarHBondContact O-N 3.35Å; L31-F35 HydrophobicContact CD2-CE2 4.32Å; L31-F35 VanDerWaalsContact O-CD2 3.24Å; L31-F35 WeakPolarHBondContact O-CD2 3.27Å; L31-F35 PolarHBondContact O-N 3.27Å
32	E	94.3	Very high	89.8	Confident	108 Å²	108	62.2 Å²	62.2	51%	0.505	34%	0.342	S	S	.	.	H	α-helix	trans	-60.1	-47.1	175.6	-174	180	-173.6	0	0	110.7	F28 Q29 L34 F35 M36 G37 M78	F28-E32 WeakPolarHBondContact O-CB 3.46Å; F28-E32 PolarHBondContact O-N 2.98Å; Q29-E32 PolarHBondContact O-N 3.38Å; E32-L34 VanDerWaalsContact C-N 3.31Å; E32-L34 PolarHBondContact O-N 3.23Å; E32-F35 PolarHBondContact O-N 3.45Å; E32-M36 WeakPolarHBondContact O-CA 3.33Å; E32-M36 WeakPolarHBondContact O-CB 3.5Å; E32-M36 PolarHBondContact O-N 3.26Å; E32-G37 PolarHBondContact O-N 3.12Å; E32-M78 HydrophobicContact CB-CE 4.28Å; E32-M78 HydrophobicContact CG-CE 4.44Å
33	F	97.3	Very high	91.6	Very high	61 Å²	61	58 Å²	58	27%	0.268	32%	0.318	S	S	.	.	H	α-helix	trans	-66.6	-31.7	175.4	-71.2	-55	0	0	0	113.3	Q29 V30 L31 G37 Y42 A45 K63	Q29-F33 HydrophobicContact CG-CD2 3.93Å; Q29-F33 HydrophobicContact CG-CE2 3.54Å; Q29-F33 HydrophobicContact CG-CZ 4.47Å; Q29-F33 WeakPolarHBondContact O-CD2 3.47Å; Q29-F33 PolarHBondContact O-N 3.03Å; V30-F33 PolarHBondContact O-N 3.43Å; L31-F33 PolarHBondContact O-N 3.48Å; F33-G37 VanDerWaalsContact O-CA 3.27Å; F33-G37 WeakPolarHBondContact O-CA 3.35Å; F33-G37 PolarHBondContact O-N 3.33Å; F33-Y42 HydrophobicContact CB-CD2 4.14Å; F33-A45 HydrophobicContact CD2-CB 3.52Å; F33-A45 HydrophobicContact CE2-CB 4.08Å; F33-A45 HydrophobicContact CG-CB 4.35Å; F33-K63 PolarHBondContact O-NZ 3.41Å
34	L	97.5	Very high	93.1	Very high	10 Å²	10	58 Å²	58	5%	0.052	32%	0.324	C	S	.	.	H	α-helix	trans	-60.5	-48.9	174.6	179	62.6	0	0	0	110.9	V30 L31 E32 Y42 L62 K63 V66	V30-L34 WeakPolarHBondContact O-CB 3.41Å; V30-L34 PolarHBondContact O-N 3.17Å; L31-L34 HydrophobicContact CD2-CD2 4.29Å; L31-L34 WeakPolarHBondContact O-CB 3.33Å; L31-L34 PolarHBondContact O-N 3.35Å; E32-L34 VanDerWaalsContact C-N 3.31Å; E32-L34 PolarHBondContact O-N 3.23Å; L34-Y42 HydrophobicContact CB-CD2 3.91Å; L34-Y42 HydrophobicContact CB-CE2 3.68Å; L34-Y42 HydrophobicContact CD1-CD2 4.43Å; L34-Y42 HydrophobicContact CD1-CE1 4.26Å; L34-Y42 HydrophobicContact CD1-CE2 3.97Å; L34-Y42 HydrophobicContact CG-CE2 4.35Å; L34-L62 HydrophobicContact CD1-CD2 4.33Å; L34-L62 HydrophobicContact CD1-CG 4.17Å; L34-L62 HydrophobicContact CD2-CD2 4.02Å; L34-K63 HydrophobicContact CD1-CB 4.08Å; L34-K63 HydrophobicContact CD1-CD 4.09Å; L34-K63 WeakPolarHBondContact O-CD 3.31Å; L34-K63 PolarHBondContact O-NZ 3.41Å; L34-V66 HydrophobicContact CD1-CG2 4.2Å; L34-V66 HydrophobicContact CG-CG2 4.38Å; L34-V66 WeakPolarHBondContact O-CG1 3.09Å
35	F	96.8	Very high	93.9	Very high	26 Å²	26	55 Å²	55	11%	0.114	31%	0.305	C	S	.	.	H	α-helix	trans	-90	-31.3	-173.7	-69.4	-69.1	0	0	0	114.5	L31 E32 V66 R74 I77 M78	L31-F35 HydrophobicContact CD2-CE2 4.32Å; L31-F35 VanDerWaalsContact O-CD2 3.24Å; L31-F35 WeakPolarHBondContact O-CD2 3.27Å; L31-F35 PolarHBondContact O-N 3.27Å; E32-F35 PolarHBondContact O-N 3.45Å; F35-V66 HydrophobicContact CD1-CG1 3.71Å; F35-V66 HydrophobicContact CE1-CG1 4.12Å; F35-V66 HydrophobicContact CE1-CG2 4.31Å; F35-R74 WeakPolarHBondContact O-CD 3.47Å; F35-I77 HydrophobicContact CD1-CB 4.39Å; F35-I77 HydrophobicContact CD1-CG2 4.05Å; F35-I77 HydrophobicContact CE1-CB 4.2Å; F35-I77 HydrophobicContact CE1-CD1 4.15Å; F35-I77 HydrophobicContact CE1-CG2 3.49Å; F35-I77 VanDerWaalsContact CE1-CG2 3.49Å; F35-I77 HydrophobicContact CE2-CG2 4.08Å; F35-I77 HydrophobicContact CZ-CG2 3.51Å; F35-M78 HydrophobicContact CB-CG 3.68Å; F35-M78 HydrophobicContact CB-SD 4.02Å; F35-M78 HydrophobicContact CD2-CG 4.18Å; F35-M78 HydrophobicContact CD2-SD 3.71Å; F35-M78 HydrophobicContact CG-CG 4.13Å; F35-M78 HydrophobicContact CG-SD 4.22Å
36	M	96.3	Very high	94.5	Very high	83 Å²	83	51.2 Å²	51.2	41%	0.409	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-23.4	-172.3	-57.8	-62.4	-175.9	0	0	113.9	E32 M75 M78	E32-M36 WeakPolarHBondContact O-CA 3.33Å; E32-M36 WeakPolarHBondContact O-CB 3.5Å; E32-M36 PolarHBondContact O-N 3.26Å; M36-M75 HydrophobicContact CE-CB 4.15Å; M36-M75 HydrophobicContact CE-CG 3.78Å; M36-M75 HydrophobicContact SD-CG 4.25Å; M36-M78 HydrophobicContact CE-CB 3.77Å; M36-M78 HydrophobicContact CE-CG 3.5Å; M36-M78 VanDerWaalsContact CE-CG 3.5Å; M36-M78 HydrophobicContact CG-CG 4.38Å
37	G	95.7	Very high	94.8	Very high	15 Å²	15	56 Å²	56	16%	0.155	30%	0.295	C	S	.	.	S	Bend	trans	-75.9	172.5	-179.5	0	0	0	0	0	113.7	E32 F33 S41 K63	E32-G37 PolarHBondContact O-N 3.12Å; F33-G37 VanDerWaalsContact O-CA 3.27Å; F33-G37 WeakPolarHBondContact O-CA 3.35Å; F33-G37 PolarHBondContact O-N 3.33Å; G37-S41 WeakPolarHBondContact CA-OG 3.46Å; G37-K63 WeakPolarHBondContact O-CE 3.47Å; G37-K63 PolarHBondContact O-NZ 3.38Å
38	S	96.8	Very high	94.9	Very high	60 Å²	60	58.3 Å²	58.3	42%	0.42	31%	0.306	S	S	.	.			trans	-76.5	162.9	162.1	65.7	0	0	0	0	111.5	S40 S41 Y42	S38-S40 VanDerWaalsContact C-N 3.25Å; S38-S40 PolarHBondContact O-N 3.49Å; S38-S40 PolarHBondContact OG-OG 3.15Å; S38-S40 VanDerWaalsContact OG-OG 3.05Å; S38-S41 WeakPolarHBondContact CA-OG 3.2Å; S38-S41 PolarHBondContact N-OG 3.27Å; S38-S41 PolarHBondContact O-N 3.12Å; S38-S41 PolarHBondContact O-OG 3.41Å; S38-S41 PolarHBondContact OG-N 3Å; S38-S41 PolarHBondContact OG-OG 3.05Å; S38-Y42 PolarHBondContact O-N 3.06Å
39	E	96.3	Very high	95.2	Very high	71 Å²	71	60.9 Å²	60.9	33%	0.332	31%	0.314	S	S	.	.	H	α-helix	trans	-53.8	-42.7	172.7	-174.3	174.4	147	0	0	111.7	Y42 E43 I60 K63 K64	E39-Y42 PolarHBondContact O-N 3.37Å; E39-E43 WeakPolarHBondContact O-CB 3.41Å; E39-E43 PolarHBondContact O-N 3.05Å; E39-I60 HydrophobicContact CG-CG2 4.39Å; E39-I60 WeakPolarHBondContact OE1-CG2 3.35Å; E39-K63 HydrophobicContact CB-CG 4.32Å; E39-K63 HydrophobicContact CG-CG 4.33Å; E39-K64 WeakPolarHBondContact OE1-CE 3.47Å; E39-K64 IonicContact OE1-NZ 2.69Å; E39-K64 WeakPolarHBondContact OE2-CE 3.4Å; E39-K64 WeakPolarHBondContact OE2-CG 3.41Å
40	S	96.4	Very high	95.4	Very high	83 Å²	83	62.8 Å²	62.8	58%	0.58	33%	0.328	S	S	*	.	H	α-helix	trans	-67.9	-39.6	-179.6	59.3	0	0	0	0	113.2	S38 Y42 E43 A44	S38-S40 VanDerWaalsContact C-N 3.25Å; S38-S40 PolarHBondContact O-N 3.49Å; S38-S40 PolarHBondContact OG-OG 3.15Å; S38-S40 VanDerWaalsContact OG-OG 3.05Å; S40-Y42 VanDerWaalsContact C-N 3.31Å; S40-Y42 PolarHBondContact O-N 3.45Å; S40-E43 PolarHBondContact O-N 3.09Å; S40-A44 WeakPolarHBondContact O-CB 3.3Å; S40-A44 PolarHBondContact O-N 2.92Å
41	S	96.9	Very high	95.4	Very high	29 Å²	29	63.7 Å²	63.7	20%	0.203	33%	0.334	C	S	.	.	H	α-helix	trans	-65.2	-36.7	174.4	50.5	0	0	0	0	112.1	G37 S38 A45	G37-S41 WeakPolarHBondContact CA-OG 3.46Å; S38-S41 WeakPolarHBondContact CA-OG 3.2Å; S38-S41 PolarHBondContact N-OG 3.27Å; S38-S41 PolarHBondContact O-N 3.12Å; S38-S41 PolarHBondContact O-OG 3.41Å; S38-S41 PolarHBondContact OG-N 3Å; S38-S41 PolarHBondContact OG-OG 3.05Å; S41-A45 WeakPolarHBondContact O-CB 3.45Å; S41-A45 PolarHBondContact O-N 3.3Å
42	Y	97.6	Very high	95.6	Very high	15 Å²	15	64 Å²	64	6%	0.059	35%	0.346	C	S	.	.	H	α-helix	trans	-69.1	-43.7	175.4	179	-108.4	0	0	0	111.6	V30 F33 L34 S38 E39 S40 A44 A45 L46 G59 I60 K63	V30-Y42 HydrophobicContact CG1-CD2 4.41Å; V30-Y42 HydrophobicContact CG1-CE2 3.67Å; F33-Y42 HydrophobicContact CB-CD2 4.14Å; L34-Y42 HydrophobicContact CB-CD2 3.91Å; L34-Y42 HydrophobicContact CB-CE2 3.68Å; L34-Y42 HydrophobicContact CD1-CD2 4.43Å; L34-Y42 HydrophobicContact CD1-CE1 4.26Å; L34-Y42 HydrophobicContact CD1-CE2 3.97Å; L34-Y42 HydrophobicContact CG-CE2 4.35Å; S38-Y42 PolarHBondContact O-N 3.06Å; E39-Y42 PolarHBondContact O-N 3.37Å; S40-Y42 VanDerWaalsContact C-N 3.31Å; S40-Y42 PolarHBondContact O-N 3.45Å; Y42-A44 VanDerWaalsContact C-N 3.32Å; Y42-A44 PolarHBondContact O-N 3.11Å; Y42-A45 WeakPolarHBondContact O-CB 3.37Å; Y42-A45 PolarHBondContact O-N 3.41Å; Y42-L46 HydrophobicContact CD1-CD1 4.06Å; Y42-L46 HydrophobicContact CD1-CG 4.49Å; Y42-L46 HydrophobicContact CE1-CD1 3.46Å; Y42-L46 VanDerWaalsContact CE1-CD1 3.46Å; Y42-L46 HydrophobicContact CE1-CG 4.08Å; Y42-L46 HydrophobicContact CE2-CD2 4.3Å; Y42-L46 HydrophobicContact CE2-CG 4.32Å; Y42-L46 WeakPolarHBondContact O-CG 3.43Å; Y42-L46 PolarHBondContact O-N 3.39Å; Y42-G59 WeakPolarHBondContact CE1-O 3.49Å; Y42-I60 HydrophobicContact CD1-CD1 4.12Å; Y42-K63 HydrophobicContact CD1-CB 3.65Å; Y42-K63 HydrophobicContact CD1-CD 4.32Å; Y42-K63 HydrophobicContact CD1-CG 3.86Å; Y42-K63 HydrophobicContact CE1-CB 3.9Å; Y42-K63 HydrophobicContact CG-CB 4.43Å; Y42-K63 HydrophobicContact CG-CD 4.28Å; Y42-K63 HydrophobicContact CG-CG 4.25Å
43	E	96.1	Very high	95.6	Very high	62 Å²	62	62.4 Å²	62.4	29%	0.29	35%	0.347	S	S	.	.	H	α-helix	trans	-58.9	-43.6	174.5	-168.8	-167.1	155.1	0	0	111.8	E39 S40 A45 L46 K47 I60	E39-E43 WeakPolarHBondContact O-CB 3.41Å; E39-E43 PolarHBondContact O-N 3.05Å; S40-E43 PolarHBondContact O-N 3.09Å; E43-A45 VanDerWaalsContact C-N 3.34Å; E43-A45 PolarHBondContact O-N 3Å; E43-L46 PolarHBondContact O-N 3.21Å; E43-K47 WeakPolarHBondContact O-CG 3.36Å; E43-K47 PolarHBondContact O-N 2.87Å; E43-K47 WeakPolarHBondContact OE1-CE 3.45Å; E43-K47 IonicContact OE1-NZ 2.71Å; E43-K47 PolarHBondContact OE1-NZ 3.18Å; E43-I60 HydrophobicContact CB-CD1 3.79Å; E43-I60 HydrophobicContact CG-CD1 4Å
44	A	95.9	Very high	95.6	Very high	59 Å²	59	65.3 Å²	65.3	49%	0.488	37%	0.366	S	S	.	.	H	α-helix	trans	-62.2	-41.5	176.3	0	0	0	0	0	111.9	S40 Y42 L46 K47	S40-A44 WeakPolarHBondContact O-CB 3.3Å; S40-A44 PolarHBondContact O-N 2.92Å; Y42-A44 VanDerWaalsContact C-N 3.32Å; Y42-A44 PolarHBondContact O-N 3.11Å; A44-L46 VanDerWaalsContact C-N 3.32Å; A44-L46 PolarHBondContact O-N 3.42Å; A44-K47 PolarHBondContact O-N 3.15Å
45	A	95.6	Very high	95.6	Very high	14 Å²	14	70.8 Å²	70.8	12%	0.116	39%	0.394	C	S	.	.	H	α-helix	trans	-62.8	-38.6	175.8	0	0	0	0	0	112.1	V30 F33 S41 Y42 E43 Y49	V30-A45 HydrophobicContact CG2-CB 4.22Å; F33-A45 HydrophobicContact CD2-CB 3.52Å; F33-A45 HydrophobicContact CE2-CB 4.08Å; F33-A45 HydrophobicContact CG-CB 4.35Å; S41-A45 WeakPolarHBondContact O-CB 3.45Å; S41-A45 PolarHBondContact O-N 3.3Å; Y42-A45 WeakPolarHBondContact O-CB 3.37Å; Y42-A45 PolarHBondContact O-N 3.41Å; E43-A45 VanDerWaalsContact C-N 3.34Å; E43-A45 PolarHBondContact O-N 3Å; A45-Y49 WeakPolarHBondContact O-CD2 3.46Å
46	L	95.3	Very high	95.6	Very high	24 Å²	24	71.5 Å²	71.5	13%	0.126	40%	0.398	C	S	.	.	H	α-helix	trans	-67.8	-39.8	175.3	-68.6	-178.3	0	0	0	112.6	V30 Y42 E43 A44 F48 Y49 P51	V30-L46 HydrophobicContact CG1-CD2 3.92Å; Y42-L46 HydrophobicContact CD1-CD1 4.06Å; Y42-L46 HydrophobicContact CD1-CG 4.49Å; Y42-L46 HydrophobicContact CE1-CD1 3.46Å; Y42-L46 VanDerWaalsContact CE1-CD1 3.46Å; Y42-L46 HydrophobicContact CE1-CG 4.08Å; Y42-L46 HydrophobicContact CE2-CD2 4.3Å; Y42-L46 HydrophobicContact CE2-CG 4.32Å; Y42-L46 WeakPolarHBondContact O-CG 3.43Å; Y42-L46 PolarHBondContact O-N 3.39Å; E43-L46 PolarHBondContact O-N 3.21Å; A44-L46 VanDerWaalsContact C-N 3.32Å; A44-L46 PolarHBondContact O-N 3.42Å; L46-F48 PolarHBondContact O-N 3.18Å; L46-F48 VanDerWaalsContact O-N 3.16Å; L46-Y49 PolarHBondContact O-N 3.39Å; L46-P51 WeakPolarHBondContact O-CD 3.24Å
47	K	92.1	Very high	95.6	Very high	114 Å²	114	71.8 Å²	71.8	50%	0.496	40%	0.401	S	S	.	.	H	α-helix	trans	-56.8	-31.7	-178.8	-80.2	175.4	-178.9	164.7	0	113.2	E43 A44 Y49 N50	E43-K47 WeakPolarHBondContact O-CG 3.36Å; E43-K47 PolarHBondContact O-N 2.87Å; E43-K47 WeakPolarHBondContact OE1-CE 3.45Å; E43-K47 IonicContact OE1-NZ 2.71Å; E43-K47 PolarHBondContact OE1-NZ 3.18Å; A44-K47 PolarHBondContact O-N 3.15Å; K47-Y49 PolarHBondContact O-N 2.95Å; K47-N50 PolarHBondContact O-N 2.81Å
48	F	90.9	Very high	95.7	Very high	171 Å²	171	74.6 Å²	74.6	75%	0.75	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-32.3	176.6	-175	-96.4	0	0	0	113	L46	L46-F48 PolarHBondContact O-N 3.18Å; L46-F48 VanDerWaalsContact O-N 3.16Å
49	Y	93.3	Very high	95.7	Very high	113 Å²	113	72.2 Å²	72.2	44%	0.443	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-0.8	-179.3	-60.7	-82.6	0	0	0	113.6	G26 V30 A45 L46 K47 P51	G26-Y49 VanDerWaalsContact C-OH 3.26Å; G26-Y49 WeakPolarHBondContact CA-OH 3.47Å; G26-Y49 PolarHBondContact O-OH 2.93Å; V30-Y49 HydrophobicContact CG2-CD2 4.43Å; V30-Y49 HydrophobicContact CG2-CE2 3.71Å; A45-Y49 WeakPolarHBondContact O-CD2 3.46Å; L46-Y49 PolarHBondContact O-N 3.39Å; K47-Y49 PolarHBondContact O-N 2.95Å; Y49-P51 VanDerWaalsContact C-CD 3.48Å
50	N	94	Very high	95.8	Very high	145 Å²	145	69.8 Å²	69.8	78%	0.775	39%	0.393	S	S	*	.			trans	45.1	52.2	-178	-168.7	43.2	0	0	0	114.2	K47	K47-N50 PolarHBondContact O-N 2.81Å
51	P	94.6	Very high	95.9	Very high	35 Å²	35	72 Å²	72	23%	0.227	39%	0.394	C	S	.	.			trans	-67	153	178.8	30.1	-35.8	0	0	0	111.1	L46 Y49 L55 Q56	L46-P51 WeakPolarHBondContact O-CD 3.24Å; Y49-P51 VanDerWaalsContact C-CD 3.48Å; P51-L55 HydrophobicContact CB-CB 4.23Å; P51-Q56 HydrophobicContact CG-CB 4.1Å; P51-Q56 HydrophobicContact CG-CG 4.47Å
52	G	97.2	Very high	95.9	Very high	45 Å²	45	74.7 Å²	74.7	46%	0.464	41%	0.405	S	S	.	.			trans	-59.1	152.6	168.9	0	0	0	0	0	111.7	D54 L55 Q56	G52-D54 PolarHBondContact O-N 3.41Å; G52-D54 VanDerWaalsContact O-N 3.15Å; G52-L55 PolarHBondContact O-N 3.04Å; G52-Q56 PolarHBondContact O-N 3.45Å
53	S	95.6	Very high	95.9	Very high	76 Å²	76	74 Å²	74	53%	0.531	40%	0.403	S	S	.	.	H	α-helix	trans	-52.6	-40.6	-174.4	53.7	0	0	0	0	113.3	Q56 N57	S53-Q56 PolarHBondContact O-N 3.23Å; S53-N57 VanDerWaalsContact O-CB 3.3Å; S53-N57 WeakPolarHBondContact O-CB 3.39Å; S53-N57 PolarHBondContact O-N 3.48Å; S53-N57 PolarHBondContact O-ND2 3.19Å
54	D	97.3	Very high	96	Very high	122 Å²	122	76.3 Å²	76.3	65%	0.652	41%	0.412	S	S	*	.	H	α-helix	trans	-67.6	-41.2	-177.6	-62.7	-13.2	0	0	0	111.3	G52 N57 S58	G52-D54 PolarHBondContact O-N 3.41Å; G52-D54 VanDerWaalsContact O-N 3.15Å; D54-N57 PolarHBondContact O-N 3.2Å; D54-S58 PolarHBondContact O-N 3.33Å; D54-S58 PolarHBondContact O-OG 2.96Å
55	L	96.9	Very high	96.1	Very high	125 Å²	125	79.1 Å²	79.1	65%	0.654	42%	0.418	S	S	*	.	H	α-helix	trans	-67	-42.3	176.9	-59.4	-178.7	0	0	0	111.3	P51 G52 S58 G59	P51-L55 HydrophobicContact CB-CB 4.23Å; G52-L55 PolarHBondContact O-N 3.04Å; L55-S58 PolarHBondContact O-N 3.36Å; L55-G59 PolarHBondContact O-N 2.94Å
56	Q	96.1	Very high	96.2	Very high	40 Å²	40	79 Å²	79	19%	0.187	42%	0.416	C	S	.	.	H	α-helix	trans	-60.9	-47.2	175	-168.3	178.3	5.6	0	0	110.7	P51 G52 S53 S58 G59 I60	P51-Q56 HydrophobicContact CG-CB 4.1Å; P51-Q56 HydrophobicContact CG-CG 4.47Å; G52-Q56 PolarHBondContact O-N 3.45Å; S53-Q56 PolarHBondContact O-N 3.23Å; Q56-S58 VanDerWaalsContact C-N 3.34Å; Q56-S58 PolarHBondContact O-N 3.01Å; Q56-G59 WeakPolarHBondContact O-CA 3.43Å; Q56-G59 PolarHBondContact O-N 2.92Å; Q56-G59 VanDerWaalsContact O-N 3.11Å; Q56-I60 WeakPolarHBondContact O-CG1 3.38Å; Q56-I60 PolarHBondContact O-N 3.16Å
57	N	97.1	Very high	96.4	Very high	89 Å²	89	80.5 Å²	80.5	48%	0.476	42%	0.424	S	S	.	.	H	α-helix	trans	-61	-40.9	178.6	-74.8	-23.3	0	0	0	112.2	S53 D54 G59 I60 Q61	S53-N57 VanDerWaalsContact O-CB 3.3Å; S53-N57 WeakPolarHBondContact O-CB 3.39Å; S53-N57 PolarHBondContact O-N 3.48Å; S53-N57 PolarHBondContact O-ND2 3.19Å; D54-N57 PolarHBondContact O-N 3.2Å; N57-G59 VanDerWaalsContact C-N 3.35Å; N57-I60 PolarHBondContact O-N 3.06Å; N57-Q61 WeakPolarHBondContact O-CG 3.5Å; N57-Q61 PolarHBondContact O-N 2.95Å
58	S	98.1	Very high	96.6	Very high	75 Å²	75	80.3 Å²	80.3	52%	0.524	43%	0.432	S	S	.	.	H	α-helix	trans	-61.8	-42.4	173	-65.2	0	0	0	0	112	D54 L55 Q56 Q61 L62	D54-S58 PolarHBondContact O-N 3.33Å; D54-S58 PolarHBondContact O-OG 2.96Å; L55-S58 PolarHBondContact O-N 3.36Å; Q56-S58 VanDerWaalsContact C-N 3.34Å; Q56-S58 PolarHBondContact O-N 3.01Å; S58-Q61 PolarHBondContact O-N 3.13Å; S58-L62 PolarHBondContact O-N 2.99Å
59	G	97.1	Very high	97	Very high	10 Å²	10	75 Å²	75	10%	0.103	41%	0.412	C	S	.	.	H	α-helix	trans	-59	-47	174.1	0	0	0	0	0	112.3	Y42 L55 Q56 N57 Q61 L62 K63	Y42-G59 WeakPolarHBondContact CE1-O 3.49Å; L55-G59 PolarHBondContact O-N 2.94Å; Q56-G59 WeakPolarHBondContact O-CA 3.43Å; Q56-G59 PolarHBondContact O-N 2.92Å; Q56-G59 VanDerWaalsContact O-N 3.11Å; N57-G59 VanDerWaalsContact C-N 3.35Å; G59-Q61 PolarHBondContact O-N 3.33Å; G59-L62 WeakPolarHBondContact O-CB 3.47Å; G59-L62 PolarHBondContact O-N 3.33Å; G59-K63 PolarHBondContact O-N 3.46Å
60	I	97.5	Very high	97.2	Very high	20 Å²	20	73.6 Å²	73.6	10%	0.103	42%	0.416	C	S	.	.	H	α-helix	trans	-63.9	-38.9	178.1	-62.6	-56.2	0	0	0	111.9	E39 Y42 E43 Q56 N57 K63 K64	E39-I60 HydrophobicContact CG-CG2 4.39Å; E39-I60 WeakPolarHBondContact OE1-CG2 3.35Å; Y42-I60 HydrophobicContact CD1-CD1 4.12Å; E43-I60 HydrophobicContact CB-CD1 3.79Å; E43-I60 HydrophobicContact CG-CD1 4Å; Q56-I60 WeakPolarHBondContact O-CG1 3.38Å; Q56-I60 PolarHBondContact O-N 3.16Å; N57-I60 PolarHBondContact O-N 3.06Å; I60-K63 WeakPolarHBondContact O-CB 3.25Å; I60-K63 PolarHBondContact O-N 3.42Å; I60-K64 HydrophobicContact CG2-CD 4.49Å; I60-K64 WeakPolarHBondContact O-CG 3.34Å; I60-K64 PolarHBondContact O-N 3.48Å
61	Q	98.2	Very high	97.3	Very high	130 Å²	130	73 Å²	73	61%	0.607	41%	0.409	S	S	*	.	H	α-helix	trans	-62.4	-42.8	174.2	-74.7	-179.2	53	0	0	112.1	N57 S58 G59 K63 K64 L65	N57-Q61 WeakPolarHBondContact O-CG 3.5Å; N57-Q61 PolarHBondContact O-N 2.95Å; S58-Q61 PolarHBondContact O-N 3.13Å; G59-Q61 PolarHBondContact O-N 3.33Å; Q61-K63 VanDerWaalsContact C-N 3.33Å; Q61-K63 PolarHBondContact O-N 3.01Å; Q61-K64 PolarHBondContact O-N 3.36Å; Q61-L65 PolarHBondContact O-N 2.99Å
62	L	98.2	Very high	97.4	Very high	84 Å²	84	78.4 Å²	78.4	44%	0.44	43%	0.429	S	S	.	.	H	α-helix	trans	-59.5	-45.3	173.9	176.9	62.7	0	0	0	111.1	L34 S58 G59 K64 L65 V66	L34-L62 HydrophobicContact CD1-CD2 4.33Å; L34-L62 HydrophobicContact CD1-CG 4.17Å; L34-L62 HydrophobicContact CD2-CD2 4.02Å; S58-L62 PolarHBondContact O-N 2.99Å; G59-L62 WeakPolarHBondContact O-CB 3.47Å; G59-L62 PolarHBondContact O-N 3.33Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 3.43Å; L62-L65 WeakPolarHBondContact O-CB 3.38Å; L62-L65 PolarHBondContact O-N 3.13Å; L62-L65 VanDerWaalsContact O-N 3.16Å; L62-V66 HydrophobicContact CD1-CG2 4.24Å; L62-V66 HydrophobicContact CG-CG2 4.39Å; L62-V66 WeakPolarHBondContact O-CG2 3.43Å; L62-V66 PolarHBondContact O-N 3.24Å
63	K	98	Very high	97.4	Very high	0 Å²	0	79 Å²	79	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-56.8	-45.4	177.8	177.2	55.4	176.8	156.4	0	112.2	F33 L34 G37 E39 Y42 G59 I60 Q61 L65 V66 D67	F33-K63 PolarHBondContact O-NZ 3.41Å; L34-K63 HydrophobicContact CD1-CB 4.08Å; L34-K63 HydrophobicContact CD1-CD 4.09Å; L34-K63 WeakPolarHBondContact O-CD 3.31Å; L34-K63 PolarHBondContact O-NZ 3.41Å; G37-K63 WeakPolarHBondContact O-CE 3.47Å; G37-K63 PolarHBondContact O-NZ 3.38Å; E39-K63 HydrophobicContact CB-CG 4.32Å; E39-K63 HydrophobicContact CG-CG 4.33Å; Y42-K63 HydrophobicContact CD1-CB 3.65Å; Y42-K63 HydrophobicContact CD1-CD 4.32Å; Y42-K63 HydrophobicContact CD1-CG 3.86Å; Y42-K63 HydrophobicContact CE1-CB 3.9Å; Y42-K63 HydrophobicContact CG-CB 4.43Å; Y42-K63 HydrophobicContact CG-CD 4.28Å; Y42-K63 HydrophobicContact CG-CG 4.25Å; G59-K63 PolarHBondContact O-N 3.46Å; I60-K63 WeakPolarHBondContact O-CB 3.25Å; I60-K63 PolarHBondContact O-N 3.42Å; Q61-K63 VanDerWaalsContact C-N 3.33Å; Q61-K63 PolarHBondContact O-N 3.01Å; K63-L65 VanDerWaalsContact C-N 3.32Å; K63-L65 PolarHBondContact O-N 2.65Å; K63-V66 PolarHBondContact O-N 2.9Å; K63-D67 WeakPolarHBondContact CE-OD1 3.45Å; K63-D67 WeakPolarHBondContact CE-OD2 3.31Å; K63-D67 VanDerWaalsContact NZ-CG 3.34Å; K63-D67 IonicContact NZ-OD1 3.53Å; K63-D67 PolarHBondContact NZ-OD1 3.01Å; K63-D67 IonicContact NZ-OD2 2.98Å; K63-D67 PolarHBondContact NZ-OD2 3.44Å; K63-D67 WeakPolarHBondContact O-CB 3.45Å; K63-D67 PolarHBondContact O-N 3.42Å
64	K	97.8	Very high	97.5	Very high	111 Å²	111	77.7 Å²	77.7	48%	0.483	41%	0.407	S	S	.	.	H	α-helix	trans	-59.3	-41.5	177	-72.9	175.6	-179.7	177.4	0	112.5	E39 I60 Q61 L62 D67 T68	E39-K64 WeakPolarHBondContact OE1-CE 3.47Å; E39-K64 IonicContact OE1-NZ 2.69Å; E39-K64 WeakPolarHBondContact OE2-CE 3.4Å; E39-K64 WeakPolarHBondContact OE2-CG 3.41Å; I60-K64 HydrophobicContact CG2-CD 4.49Å; I60-K64 WeakPolarHBondContact O-CG 3.34Å; I60-K64 PolarHBondContact O-N 3.48Å; Q61-K64 PolarHBondContact O-N 3.36Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 3.43Å; K64-D67 PolarHBondContact O-N 2.91Å; K64-T68 WeakPolarHBondContact O-CG2 3.12Å; K64-T68 PolarHBondContact O-N 3.46Å
65	L	98.3	Very high	97.5	Very high	119 Å²	119	75.4 Å²	75.4	62%	0.623	39%	0.393	S	S	*	.	H	α-helix	trans	-65.6	-45.8	175.4	-68.2	171.2	0	0	0	111.4	Q61 L62 K63 D67 T68	Q61-L65 PolarHBondContact O-N 2.99Å; L62-L65 WeakPolarHBondContact O-CB 3.38Å; L62-L65 PolarHBondContact O-N 3.13Å; L62-L65 VanDerWaalsContact O-N 3.16Å; K63-L65 VanDerWaalsContact C-N 3.32Å; K63-L65 PolarHBondContact O-N 2.65Å; L65-D67 PolarHBondContact O-N 3.16Å; L65-T68 PolarHBondContact O-N 3.2Å; L65-T68 VanDerWaalsContact O-N 3.12Å; L65-T68 PolarHBondContact O-OG1 3.21Å
66	V	97.8	Very high	97.5	Very high	11 Å²	11	73.6 Å²	73.6	7%	0.067	38%	0.384	C	S	.	.	H	α-helix	trans	-58.7	-38.9	176.8	171.8	0	0	0	0	111	L34 F35 L62 K63 T68 L69 R74	L34-V66 HydrophobicContact CD1-CG2 4.2Å; L34-V66 HydrophobicContact CG-CG2 4.38Å; L34-V66 WeakPolarHBondContact O-CG1 3.09Å; F35-V66 HydrophobicContact CD1-CG1 3.71Å; F35-V66 HydrophobicContact CE1-CG1 4.12Å; F35-V66 HydrophobicContact CE1-CG2 4.31Å; L62-V66 HydrophobicContact CD1-CG2 4.24Å; L62-V66 HydrophobicContact CG-CG2 4.39Å; L62-V66 WeakPolarHBondContact O-CG2 3.43Å; L62-V66 PolarHBondContact O-N 3.24Å; K63-V66 PolarHBondContact O-N 2.9Å; V66-T68 PolarHBondContact O-N 3.09Å; V66-L69 VanDerWaalsContact O-CB 3.25Å; V66-L69 WeakPolarHBondContact O-CB 3.49Å; V66-L69 WeakPolarHBondContact O-CG 3.39Å; V66-L69 PolarHBondContact O-N 3.23Å; V66-R74 HydrophobicContact CG1-CG 4.33Å; V66-R74 WeakPolarHBondContact O-CD 3.19Å
67	D	97.6	Very high	97.5	Very high	55 Å²	55	74.1 Å²	74.1	29%	0.294	39%	0.388	S	S	.	.	H	α-helix	trans	-69	-16.2	179.8	-76.5	-22.6	0	0	0	114.5	K63 K64 L65 L69 R74	K63-D67 WeakPolarHBondContact CE-OD1 3.45Å; K63-D67 WeakPolarHBondContact CE-OD2 3.31Å; K63-D67 VanDerWaalsContact NZ-CG 3.34Å; K63-D67 IonicContact NZ-OD1 3.53Å; K63-D67 PolarHBondContact NZ-OD1 3.01Å; K63-D67 IonicContact NZ-OD2 2.98Å; K63-D67 PolarHBondContact NZ-OD2 3.44Å; K63-D67 WeakPolarHBondContact O-CB 3.45Å; K63-D67 PolarHBondContact O-N 3.42Å; K64-D67 PolarHBondContact O-N 2.91Å; L65-D67 PolarHBondContact O-N 3.16Å; D67-L69 PolarHBondContact O-N 2.9Å; D67-R74 IonicContact OD1-NH1 3.29Å; D67-R74 PolarHBondContact OD1-NH1 3.06Å
68	T	97.8	Very high	97.4	Very high	110 Å²	110	72.2 Å²	72.2	68%	0.675	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-15.8	169.8	70	0	0	0	0	113.2	K64 L65 V66	K64-T68 WeakPolarHBondContact O-CG2 3.12Å; K64-T68 PolarHBondContact O-N 3.46Å; L65-T68 PolarHBondContact O-N 3.2Å; L65-T68 VanDerWaalsContact O-N 3.12Å; L65-T68 PolarHBondContact O-OG1 3.21Å; V66-T68 PolarHBondContact O-N 3.09Å
69	L	98	Very high	97.1	Very high	61 Å²	61	74.7 Å²	74.7	32%	0.319	38%	0.378	S	S	.	.	S	Bend	trans	-76.1	143.3	-177.8	-58.4	177.1	0	0	0	111.3	V66 D67 T73 R74 I77	V66-L69 VanDerWaalsContact O-CB 3.25Å; V66-L69 WeakPolarHBondContact O-CB 3.49Å; V66-L69 WeakPolarHBondContact O-CG 3.39Å; V66-L69 PolarHBondContact O-N 3.23Å; D67-L69 PolarHBondContact O-N 2.9Å; L69-T73 HydrophobicContact CB-CG2 4.4Å; L69-T73 HydrophobicContact CD1-CG2 4.35Å; L69-R74 HydrophobicContact CB-CG 3.88Å; L69-R74 PolarHBondContact O-NE 3.21Å; L69-I77 HydrophobicContact CD1-CD1 4.06Å
70	P	98.1	Very high	97	Very high	83 Å²	83	78.8 Å²	78.8	54%	0.539	40%	0.397	S	S	.	.			trans	-54.2	144.6	171.4	-25.2	33.8	0	0	0	111.7	K72 T73 R74	P70-K72 PolarHBondContact O-N 3.48Å; P70-K72 VanDerWaalsContact O-N 3.17Å; P70-T73 WeakPolarHBondContact O-CA 3.35Å; P70-T73 VanDerWaalsContact O-CB 3.31Å; P70-T73 WeakPolarHBondContact O-CB 3.35Å; P70-T73 PolarHBondContact O-N 2.95Å; P70-R74 PolarHBondContact O-N 2.97Å; P70-R74 VanDerWaalsContact O-N 3.13Å
71	Q	95.7	Very high	96.6	Very high	133 Å²	133	79.4 Å²	79.4	62%	0.621	40%	0.403	S	S	*	.	H	α-helix	trans	-53.1	-41.4	179.4	-171.2	-177	21	0	0	112.4	T73 R74 M75	Q71-T73 VanDerWaalsContact C-N 3.29Å; Q71-T73 PolarHBondContact O-N 3.47Å; Q71-R74 PolarHBondContact O-N 3.34Å; Q71-M75 HydrophobicContact CG-CE 4.31Å; Q71-M75 WeakPolarHBondContact O-CG 3.5Å; Q71-M75 PolarHBondContact O-N 3.49Å
72	K	97.1	Very high	96	Very high	147 Å²	147	79 Å²	79	64%	0.639	40%	0.401	S	S	*	.	H	α-helix	trans	-58.5	-39.5	175.8	-173.7	176	-179.9	179.6	0	112.6	P70 M75 N76	P70-K72 PolarHBondContact O-N 3.48Å; P70-K72 VanDerWaalsContact O-N 3.17Å; K72-M75 HydrophobicContact CB-CE 4.43Å; K72-N76 WeakPolarHBondContact O-CB 3.38Å; K72-N76 VanDerWaalsContact O-CG 3.24Å; K72-N76 PolarHBondContact O-N 3.32Å
73	T	98.2	Very high	95.6	Very high	57 Å²	57	80.3 Å²	80.3	35%	0.35	41%	0.407	S	S	.	.	H	α-helix	trans	-65.6	-47.2	177.4	-55.6	0	0	0	0	110.7	L69 P70 Q71 M75 N76 I77	L69-T73 HydrophobicContact CB-CG2 4.4Å; L69-T73 HydrophobicContact CD1-CG2 4.35Å; P70-T73 WeakPolarHBondContact O-CA 3.35Å; P70-T73 VanDerWaalsContact O-CB 3.31Å; P70-T73 WeakPolarHBondContact O-CB 3.35Å; P70-T73 PolarHBondContact O-N 2.95Å; Q71-T73 VanDerWaalsContact C-N 3.29Å; Q71-T73 PolarHBondContact O-N 3.47Å; T73-M75 VanDerWaalsContact C-N 3.35Å; T73-M75 PolarHBondContact O-N 3.32Å; T73-N76 PolarHBondContact O-N 3.23Å; T73-I77 HydrophobicContact CG2-CD1 4.12Å; T73-I77 WeakPolarHBondContact O-CG1 3.44Å; T73-I77 PolarHBondContact O-N 3.3Å
74	R	97.4	Very high	95.1	Very high	50 Å²	50	84.7 Å²	84.7	19%	0.189	43%	0.43	C	S	.	.	H	α-helix	trans	-60.4	-42.1	177.3	-62.3	-175.3	-69.4	170.9	1.2	112.1	F35 V66 D67 L69 P70 Q71 I77 M78	F35-R74 WeakPolarHBondContact O-CD 3.47Å; V66-R74 HydrophobicContact CG1-CG 4.33Å; V66-R74 WeakPolarHBondContact O-CD 3.19Å; D67-R74 IonicContact OD1-NH1 3.29Å; D67-R74 PolarHBondContact OD1-NH1 3.06Å; L69-R74 HydrophobicContact CB-CG 3.88Å; L69-R74 PolarHBondContact O-NE 3.21Å; P70-R74 PolarHBondContact O-N 2.97Å; P70-R74 VanDerWaalsContact O-N 3.13Å; Q71-R74 PolarHBondContact O-N 3.34Å; R74-I77 PolarHBondContact O-N 2.77Å; R74-M78 PolarHBondContact O-N 3.38Å; R74-M78 VanDerWaalsContact O-N 3.13Å
75	M	96.4	Very high	94.3	Very high	73 Å²	73	81.9 Å²	81.9	36%	0.36	42%	0.42	S	S	.	.	H	α-helix	trans	-61.2	-43.8	173.5	-70.5	-170.6	-66.2	0	0	113.2	M36 Q71 K72 T73 I77 M78 K79	M36-M75 HydrophobicContact CE-CB 4.15Å; M36-M75 HydrophobicContact CE-CG 3.78Å; M36-M75 HydrophobicContact SD-CG 4.25Å; Q71-M75 HydrophobicContact CG-CE 4.31Å; Q71-M75 WeakPolarHBondContact O-CG 3.5Å; Q71-M75 PolarHBondContact O-N 3.49Å; K72-M75 HydrophobicContact CB-CE 4.43Å; T73-M75 VanDerWaalsContact C-N 3.35Å; T73-M75 PolarHBondContact O-N 3.32Å; M75-I77 VanDerWaalsContact C-N 3.31Å; M75-I77 PolarHBondContact O-N 3.02Å; M75-M78 PolarHBondContact O-N 3.36Å; M75-K79 WeakPolarHBondContact O-CG 3.33Å; M75-K79 PolarHBondContact O-N 2.79Å
76	N	97.7	Very high	93.6	Very high	88 Å²	88	80.6 Å²	80.6	47%	0.471	42%	0.417	S	S	.	.	H	α-helix	trans	-66.3	-34.7	178.8	-74	-7.8	0	0	0	112	K72 T73 K79 L80	K72-N76 WeakPolarHBondContact O-CB 3.38Å; K72-N76 VanDerWaalsContact O-CG 3.24Å; K72-N76 PolarHBondContact O-N 3.32Å; T73-N76 PolarHBondContact O-N 3.23Å; N76-K79 PolarHBondContact O-N 3.44Å; N76-L80 WeakPolarHBondContact O-CB 3.5Å; N76-L80 PolarHBondContact O-N 3.02Å
77	I	96.4	Very high	92.9	Very high	50 Å²	50	81.4 Å²	81.4	26%	0.256	42%	0.423	S	S	.	.	H	α-helix	trans	-64.6	-44.7	174.7	-66.3	163.9	0	0	0	110.7	F35 L69 T73 R74 M75 K79 L80 S81	F35-I77 HydrophobicContact CD1-CB 4.39Å; F35-I77 HydrophobicContact CD1-CG2 4.05Å; F35-I77 HydrophobicContact CE1-CB 4.2Å; F35-I77 HydrophobicContact CE1-CD1 4.15Å; F35-I77 HydrophobicContact CE1-CG2 3.49Å; F35-I77 VanDerWaalsContact CE1-CG2 3.49Å; F35-I77 HydrophobicContact CE2-CG2 4.08Å; F35-I77 HydrophobicContact CZ-CG2 3.51Å; L69-I77 HydrophobicContact CD1-CD1 4.06Å; T73-I77 HydrophobicContact CG2-CD1 4.12Å; T73-I77 WeakPolarHBondContact O-CG1 3.44Å; T73-I77 PolarHBondContact O-N 3.3Å; R74-I77 PolarHBondContact O-N 2.77Å; M75-I77 VanDerWaalsContact C-N 3.31Å; M75-I77 PolarHBondContact O-N 3.02Å; I77-K79 PolarHBondContact O-N 3Å; I77-L80 WeakPolarHBondContact O-CB 3.32Å; I77-L80 PolarHBondContact O-N 3.24Å; I77-L80 VanDerWaalsContact O-N 3.16Å; I77-S81 PolarHBondContact O-N 3.16Å; I77-S81 PolarHBondContact O-OG 2.69Å
78	M	93.1	Very high	92.2	Very high	50 Å²	50	84 Å²	84	25%	0.246	44%	0.443	C	S	.	.	H	α-helix	trans	-60	-44.6	175.9	-80.4	-67.3	-66.9	0	0	112.5	E32 F35 M36 R74 M75 L80 S81 E82	E32-M78 HydrophobicContact CB-CE 4.28Å; E32-M78 HydrophobicContact CG-CE 4.44Å; F35-M78 HydrophobicContact CB-CG 3.68Å; F35-M78 HydrophobicContact CB-SD 4.02Å; F35-M78 HydrophobicContact CD2-CG 4.18Å; F35-M78 HydrophobicContact CD2-SD 3.71Å; F35-M78 HydrophobicContact CG-CG 4.13Å; F35-M78 HydrophobicContact CG-SD 4.22Å; M36-M78 HydrophobicContact CE-CB 3.77Å; M36-M78 HydrophobicContact CE-CG 3.5Å; M36-M78 VanDerWaalsContact CE-CG 3.5Å; M36-M78 HydrophobicContact CG-CG 4.38Å; R74-M78 PolarHBondContact O-N 3.38Å; R74-M78 VanDerWaalsContact O-N 3.13Å; M75-M78 PolarHBondContact O-N 3.36Å; M78-L80 VanDerWaalsContact C-N 3.3Å; M78-L80 PolarHBondContact O-N 3.11Å; M78-S81 WeakPolarHBondContact O-CB 3.47Å; M78-S81 PolarHBondContact O-N 3.18Å; M78-E82 PolarHBondContact O-N 3.31Å
79	K	93.4	Very high	91.4	Very high	126 Å²	126	85.4 Å²	85.4	55%	0.548	45%	0.445	S	S	.	.	H	α-helix	trans	-62.4	-38.4	174.8	-70.5	179.4	178.7	-175.1	0	112.3	M75 N76 I77 S81 E82 I83	M75-K79 WeakPolarHBondContact O-CG 3.33Å; M75-K79 PolarHBondContact O-N 2.79Å; N76-K79 PolarHBondContact O-N 3.44Å; I77-K79 PolarHBondContact O-N 3Å; K79-S81 VanDerWaalsContact C-N 3.35Å; K79-E82 PolarHBondContact O-N 2.94Å; K79-I83 VanDerWaalsContact O-CG1 3.31Å; K79-I83 WeakPolarHBondContact O-CG1 3.29Å; K79-I83 PolarHBondContact O-N 2.87Å
80	L	93.4	Very high	90.3	Very high	97 Å²	97	85.5 Å²	85.5	51%	0.508	45%	0.451	S	S	.	.	H	α-helix	trans	-62.3	-43.9	174.9	176.8	63.2	0	0	0	110.9	N76 I77 M78 E82 I83 I84	N76-L80 WeakPolarHBondContact O-CB 3.5Å; N76-L80 PolarHBondContact O-N 3.02Å; I77-L80 WeakPolarHBondContact O-CB 3.32Å; I77-L80 PolarHBondContact O-N 3.24Å; I77-L80 VanDerWaalsContact O-N 3.16Å; M78-L80 VanDerWaalsContact C-N 3.3Å; M78-L80 PolarHBondContact O-N 3.11Å; L80-E82 VanDerWaalsContact C-N 3.35Å; L80-E82 PolarHBondContact O-N 3.39Å; L80-I83 PolarHBondContact O-N 3.06Å; L80-I84 HydrophobicContact CD1-CD1 4.27Å; L80-I84 HydrophobicContact CG-CD1 4.08Å; L80-I84 VanDerWaalsContact O-CG1 3.32Å; L80-I84 WeakPolarHBondContact O-CG1 3.47Å; L80-I84 PolarHBondContact O-N 3.33Å
81	S	89.5	Confident	88.8	Confident	32 Å²	32	86.3 Å²	86.3	22%	0.224	45%	0.451	C	S	.	.	H	α-helix	trans	-59.3	-44.3	174.9	-61.9	0	0	0	0	111.9	I77 M78 K79 I83 I84 L85	I77-S81 PolarHBondContact O-N 3.16Å; I77-S81 PolarHBondContact O-OG 2.69Å; M78-S81 WeakPolarHBondContact O-CB 3.47Å; M78-S81 PolarHBondContact O-N 3.18Å; K79-S81 VanDerWaalsContact C-N 3.35Å; S81-I83 PolarHBondContact O-N 3.35Å; S81-I84 PolarHBondContact O-N 3.07Å; S81-L85 WeakPolarHBondContact O-CD1 3.43Å; S81-L85 WeakPolarHBondContact O-CG 3.37Å; S81-L85 PolarHBondContact O-N 2.95Å
82	E	87.1	Confident	87.1	Confident	122 Å²	122	85.9 Å²	85.9	57%	0.57	45%	0.449	S	S	*	.	H	α-helix	trans	-60.5	-44.3	176.2	-174.8	179	-166.5	0	0	112.6	M78 K79 L80 I84 L85 T86	M78-E82 PolarHBondContact O-N 3.31Å; K79-E82 PolarHBondContact O-N 2.94Å; L80-E82 VanDerWaalsContact C-N 3.35Å; L80-E82 PolarHBondContact O-N 3.39Å; E82-I84 VanDerWaalsContact C-N 3.29Å; E82-I84 PolarHBondContact O-N 2.82Å; E82-L85 PolarHBondContact O-N 3.15Å; E82-T86 HydrophobicContact CG-CG2 4.44Å; E82-T86 WeakPolarHBondContact O-CB 3.32Å; E82-T86 WeakPolarHBondContact O-CG2 3.41Å; E82-T86 PolarHBondContact O-N 2.91Å; E82-T86 PolarHBondContact O-OG1 3.47Å
83	I	89.6	Confident	85.1	Confident	111 Å²	111	85.9 Å²	85.9	57%	0.569	46%	0.455	S	S	*	.	H	α-helix	trans	-59.7	-40.9	175.6	-68.8	164.8	0	0	0	111.2	K79 L80 S81 T86 S87	K79-I83 VanDerWaalsContact O-CG1 3.31Å; K79-I83 WeakPolarHBondContact O-CG1 3.29Å; K79-I83 PolarHBondContact O-N 2.87Å; L80-I83 PolarHBondContact O-N 3.06Å; S81-I83 PolarHBondContact O-N 3.35Å; I83-T86 PolarHBondContact O-OG1 3.08Å; I83-S87 WeakPolarHBondContact O-CB 3.47Å; I83-S87 PolarHBondContact O-N 3.1Å
84	I	86.4	Confident	83	Confident	93 Å²	93	88.7 Å²	88.7	48%	0.477	47%	0.468	S	S	.	.	H	α-helix	trans	-65.8	-47	178.5	-68.2	164.1	0	0	0	110.6	L80 S81 E82 T86 S87 C90	L80-I84 HydrophobicContact CD1-CD1 4.27Å; L80-I84 HydrophobicContact CG-CD1 4.08Å; L80-I84 VanDerWaalsContact O-CG1 3.32Å; L80-I84 WeakPolarHBondContact O-CG1 3.47Å; L80-I84 PolarHBondContact O-N 3.33Å; S81-I84 PolarHBondContact O-N 3.07Å; E82-I84 VanDerWaalsContact C-N 3.29Å; E82-I84 PolarHBondContact O-N 2.82Å; I84-T86 PolarHBondContact O-N 3.37Å; I84-S87 VanDerWaalsContact O-CB 3.26Å; I84-S87 WeakPolarHBondContact O-CB 3.26Å; I84-S87 PolarHBondContact O-N 3.49Å; I84-S87 VanDerWaalsContact O-N 3.16Å; I84-S87 PolarHBondContact O-OG 3.14Å; I84-C90 WeakPolarHBondContact O-CB 3.04Å
85	L	82.2	Confident	80.4	Confident	51 Å²	51	91.4 Å²	91.4	27%	0.267	50%	0.495	S	S	.	.	H	α-helix	trans	-68.4	-34.2	-176	-68.1	163.3	0	0	0	112.8	F28 S81 E82 S87 C90	F28-L85 HydrophobicContact CD1-CD1 4.02Å; F28-L85 HydrophobicContact CE1-CD1 3.19Å; F28-L85 HydrophobicContact CE1-CD2 3.73Å; F28-L85 HydrophobicContact CE1-CG 4.06Å; F28-L85 HydrophobicContact CZ-CD1 3.54Å; F28-L85 HydrophobicContact CZ-CD2 3.78Å; F28-L85 HydrophobicContact CZ-CG 4.19Å; S81-L85 WeakPolarHBondContact O-CD1 3.43Å; S81-L85 WeakPolarHBondContact O-CG 3.37Å; S81-L85 PolarHBondContact O-N 2.95Å; E82-L85 PolarHBondContact O-N 3.15Å; L85-S87 VanDerWaalsContact C-N 3.26Å; L85-C90 WeakPolarHBondContact O-CB 3.44Å
86	T	82.6	Confident	77.8	Confident	92 Å²	92	97.4 Å²	97.4	56%	0.564	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.7	176.2	55.7	0	0	0	0	113	E82 I83 I84 N91	E82-T86 HydrophobicContact CG-CG2 4.44Å; E82-T86 WeakPolarHBondContact O-CB 3.32Å; E82-T86 WeakPolarHBondContact O-CG2 3.41Å; E82-T86 PolarHBondContact O-N 2.91Å; E82-T86 PolarHBondContact O-OG1 3.47Å; I83-T86 PolarHBondContact O-OG1 3.08Å; I84-T86 PolarHBondContact O-N 3.37Å; T86-N91 PolarHBondContact O-ND2 3.12Å
87	S	84.4	Confident	76.8	Confident	28 Å²	28	97.9 Å²	97.9	20%	0.196	54%	0.538	C	S	.	.	S	Bend	trans	-70.3	151.2	-177.6	77.9	0	0	0	0	112.2	I83 I84 L85 L89 C90 N91	I83-S87 WeakPolarHBondContact O-CB 3.47Å; I83-S87 PolarHBondContact O-N 3.1Å; I84-S87 VanDerWaalsContact O-CB 3.26Å; I84-S87 WeakPolarHBondContact O-CB 3.26Å; I84-S87 PolarHBondContact O-N 3.49Å; I84-S87 VanDerWaalsContact O-N 3.16Å; I84-S87 PolarHBondContact O-OG 3.14Å; L85-S87 VanDerWaalsContact C-N 3.26Å; S87-L89 PolarHBondContact O-N 3.4Å; S87-L89 PolarHBondContact OG-N 3.48Å; S87-C90 PolarHBondContact O-N 3.35Å; S87-N91 PolarHBondContact O-N 3.32Å
88	P	82.1	Confident	75.8	Confident	110 Å²	110	100.4 Å²	100.4	71%	0.714	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-15.3	173.3	-24.8	34.4	0	0	0	114.5	Q92	P88-Q92 WeakPolarHBondContact O-CG 3.36Å
89	L	81.1	Confident	74.8	Confident	139 Å²	139	103.2 Å²	103.2	73%	0.728	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-28.8	176.5	-63.2	176.4	0	0	0	112.5	S87	S87-L89 PolarHBondContact O-N 3.4Å; S87-L89 PolarHBondContact OG-N 3.48Å
90	C	75.5	Confident	73.7	Confident	63 Å²	63	101.9 Å²	101.9	43%	0.426	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.8	-30.1	177.4	-163.8	0	0	0	0	111.6	I84 L85 S87 Q92	I84-C90 WeakPolarHBondContact O-CB 3.04Å; L85-C90 WeakPolarHBondContact O-CB 3.44Å; S87-C90 PolarHBondContact O-N 3.35Å; C90-Q92 VanDerWaalsContact C-N 3.29Å; C90-Q92 PolarHBondContact O-N 3.25Å
91	N	65.8	Low	72.5	Confident	101 Å²	101	102.2 Å²	102.2	54%	0.54	58%	0.575	S	S	.	*	S	Bend	trans	-91.9	27.1	176.6	-66.2	-36.9	0	0	0	112.9	T86 S87 D93	T86-N91 PolarHBondContact O-ND2 3.12Å; S87-N91 PolarHBondContact O-N 3.32Å; N91-D93 PolarHBondContact O-N 3.33Å; N91-D93 VanDerWaalsContact O-N 3.11Å
92	Q	60.8	Low	71.3	Confident	124 Å²	124	106.9 Å²	106.9	58%	0.579	60%	0.599	S	S	*	*			trans	-71	109.1	172.8	-65.9	-171.1	-10.8	0	0	108.1	P88 C90 L94	P88-Q92 WeakPolarHBondContact O-CG 3.36Å; C90-Q92 VanDerWaalsContact C-N 3.29Å; C90-Q92 PolarHBondContact O-N 3.25Å; Q92-L94 PolarHBondContact O-N 3.44Å
93	D	53.8	Low	70.2	Confident	146 Å²	146	105.8 Å²	105.8	78%	0.781	60%	0.601	S	S	*	*			trans	-52.5	108.9	161.5	-83.3	-40.5	0	0	0	107.3	N91 S95	N91-D93 PolarHBondContact O-N 3.33Å; N91-D93 VanDerWaalsContact O-N 3.11Å; D93-S95 PolarHBondContact O-N 2.77Å
94	L	53.9	Low	68.7	Low	116 Å²	116	105.4 Å²	105.4	61%	0.607	60%	0.603	S	S	*	*			trans	-72.8	60	167.7	-75	165.2	0	0	0	108.4	Q92 V96	Q92-L94 PolarHBondContact O-N 3.44Å; L94-V96 VanDerWaalsContact C-N 3.26Å; L94-V96 PolarHBondContact O-N 3.06Å; L94-V96 VanDerWaalsContact O-N 3.14Å
95	S	43.1	Very low	67.2	Low	108 Å²	108	106.4 Å²	106.4	76%	0.755	61%	0.614	S	S	*	*			trans	-79.8	82.8	162.8	64.3	0	0	0	0	107.6	D93	D93-S95 PolarHBondContact O-N 2.77Å
96	V	41.8	Very low	65.9	Low	199 Å²	199	111.5 Å²	111.5	100%	1.206	65%	0.645	S	S	*	*			trans	-111.1	0	162.1	-178.3	0	0	0	0	108.1	L94	L94-V96 VanDerWaalsContact C-N 3.26Å; L94-V96 PolarHBondContact O-N 3.06Å; L94-V96 VanDerWaalsContact O-N 3.14Å

Retrieved 96 of 96 residues in 18.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).