A0A087WSQ7_MOUSE Loading...

CDK-activating kinase assembly factor MAT1

Stabilizes the cyclin H-CDK7 complex to form a functional CDK-activating kinase (CAK) enzymatic complex. CAK activates the cyclin-associated kinases CDK1, CDK2, CDK4 and CDK6 by threonine phosphorylation. CAK complexed to the core-TFIIH basal transcription factor activates RNA polymerase II by serine phosphorylation of the repetitive C-terminal domain (CTD) of its large subunit (POLR2A), allowing its escape from the promoter and elongation of the transcripts. Involved in cell cycle control and in RNA transcription by RNA polymerase II.

AlphaFold DB , UniProt , Accession A0A087WSQ7, Species MOUSE (Mus musculus, Mouse), Gene Mnat1, Length 93 aa.

						>A0A087WSQ7_MOUSE|A0A087WSQ7|Mnat1
MDDQGCPRCKTTKYRNPSLKLMVNVCGHTLCESCVDLLFVRGAGNCPECGTPLRKSNFRVQLFEDPTVDKEVEIRKKVLKIFQFDQQCGFGEH
					

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	42.1	Very low	67.3	Low	231 Å²	231	90.6 Å²	90.6	100%	1.138	47%	0.466	S	S	*	.				0	73.3	0	-74.2	168.4	96.4	0	0	104.9	D3	M1-D3 PolarHBondContact O-N 3.42Å; M1-D3 VanDerWaalsContact O-N 3.13Å
2	D	45.9	Very low	68	Low	150 Å²	150	86 Å²	86	80%	0.802	45%	0.445	S	S	*	.			trans	-86.8	97.1	-165.8	-60.7	-97.4	0	0	0	105.9	Q4	D2-Q4 VanDerWaalsContact C-N 3.31Å; D2-Q4 PolarHBondContact O-N 3.37Å
3	D	55.8	Low	68	Low	92 Å²	92	86.8 Å²	86.8	49%	0.492	44%	0.443	S	S	.	.			trans	-55.4	95.5	179.9	-171.1	-68.9	0	0	0	108.5	M1 G5 T12	M1-D3 PolarHBondContact O-N 3.42Å; M1-D3 VanDerWaalsContact O-N 3.13Å; D3-G5 VanDerWaalsContact C-N 3.29Å; D3-G5 PolarHBondContact O-N 3.47Å; D3-T12 WeakPolarHBondContact OD1-CB 3.1Å; D3-T12 WeakPolarHBondContact OD1-CG2 3.47Å; D3-T12 WeakPolarHBondContact OD2-CB 3.48Å
4	Q	63.6	Low	68	Low	91 Å²	91	95.7 Å²	95.7	43%	0.425	47%	0.471	S	S	.	.			trans	-66.1	96.8	174	-79.6	170.2	31.9	0	0	106.5	D2 L21	D2-Q4 VanDerWaalsContact C-N 3.31Å; D2-Q4 PolarHBondContact O-N 3.37Å; Q4-L21 HydrophobicContact CB-CD1 4Å; Q4-L21 VanDerWaalsContact O-CD1 3.24Å; Q4-L21 WeakPolarHBondContact O-CD1 3.35Å
5	G	70.7	Confident	68.3	Low	22 Å²	22	102.4 Å²	102.4	23%	0.227	49%	0.489	C	S	.	.	B	Isolated β-bridge	trans	-118.2	155	177.8	0	0	0	0	0	110.2	D3 T11	D3-G5 VanDerWaalsContact C-N 3.29Å; D3-G5 PolarHBondContact O-N 3.47Å; G5-T11 WeakPolarHBondContact CA-O 3.4Å
6	C	76.8	Confident	68.3	Low	1 Å²	1	101.1 Å²	101.1	1%	0.007	49%	0.485	C	S	.	.			trans	-73.5	129.4	177.6	176.1	0	0	0	0	110.7	R8 C9 K10 T11 L21 C31 C34	C6-R8 PolarHBondContact O-N 3.29Å; C6-R8 VanDerWaalsContact O-N 3.1Å; C6-C9 VanDerWaalsContact CB-SG 3.59Å; C6-K10 VanDerWaalsContact O-CA 3.25Å; C6-K10 WeakPolarHBondContact O-CA 3.49Å; C6-K10 PolarHBondContact O-N 3.08Å; C6-T11 PolarHBondContact N-O 3.5Å; C6-T11 VanDerWaalsContact N-O 3.11Å; C6-L21 HydrophobicContact CB-CD2 4.24Å; C6-C31 HydrophobicContact CB-CB 3.68Å; C6-C31 PolarHBondContact SG-N 3.14Å; C6-C34 PolarHBondContact SG-SG 2.87Å
7	P	78.1	Confident	68.6	Low	60 Å²	60	101.8 Å²	101.8	39%	0.39	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.8	-177.6	24.5	-34.4	0	0	0	113.1	T29	P7-T29 WeakPolarHBondContact CD-O 3.29Å
8	R	77.1	Confident	68.8	Low	88 Å²	88	102.4 Å²	102.4	33%	0.332	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-45.4	-175.8	-161.6	173.1	-170.6	-159.9	6.9	113.5	C6 C34	C6-R8 PolarHBondContact O-N 3.29Å; C6-R8 VanDerWaalsContact O-N 3.1Å; R8-C34 PolarHBondContact NH1-O 2.94Å; R8-C34 VanDerWaalsContact NH1-O 3.1Å
9	C	78.3	Confident	69.3	Low	53 Å²	53	98.9 Å²	98.9	36%	0.358	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-5	-177.6	64.3	0	0	0	0	113.2	C6 T11 C31 C34	C6-C9 VanDerWaalsContact CB-SG 3.59Å; C9-T11 PolarHBondContact O-N 3.03Å; C9-T11 WeakPolarHBondContact SG-CB 3.32Å; C9-T11 PolarHBondContact SG-N 3.21Å; C9-T11 PolarHBondContact SG-OG1 3.41Å; C9-T11 VanDerWaalsContact SG-OG1 3.4Å; C9-C31 VanDerWaalsContact SG-SG 3.67Å; C9-C34 PolarHBondContact SG-SG 2.9Å
10	K	76.2	Confident	69.8	Low	181 Å²	181	99.3 Å²	99.3	79%	0.787	50%	0.497	S	S	*	.			trans	50	21	-172.8	-58.2	-178.1	179.9	-177.1	0	112.9	C6	C6-K10 VanDerWaalsContact O-CA 3.25Å; C6-K10 WeakPolarHBondContact O-CA 3.49Å; C6-K10 PolarHBondContact O-N 3.08Å
11	T	75.9	Confident	70.3	Confident	28 Å²	28	95.3 Å²	95.3	17%	0.172	48%	0.477	C	S	.	.			trans	-79.7	128.9	177.2	-62.4	0	0	0	0	107.4	G5 C6 C9 N16 L19	G5-T11 WeakPolarHBondContact CA-O 3.4Å; C6-T11 PolarHBondContact N-O 3.5Å; C6-T11 VanDerWaalsContact N-O 3.11Å; C9-T11 PolarHBondContact O-N 3.03Å; C9-T11 WeakPolarHBondContact SG-CB 3.32Å; C9-T11 PolarHBondContact SG-N 3.21Å; C9-T11 PolarHBondContact SG-OG1 3.41Å; C9-T11 VanDerWaalsContact SG-OG1 3.4Å; T11-N16 HydrophobicContact CG2-CB 4.26Å; T11-L19 HydrophobicContact CG2-CD1 4.04Å; T11-L19 HydrophobicContact CG2-CD2 3.89Å
12	T	75.4	Confident	72.2	Confident	35 Å²	35	85.5 Å²	85.5	22%	0.215	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-102.2	153.8	179.6	64.5	0	0	0	0	108.9	D3 Y14 R15 N16	D3-T12 WeakPolarHBondContact OD1-CB 3.1Å; D3-T12 WeakPolarHBondContact OD1-CG2 3.47Å; D3-T12 WeakPolarHBondContact OD2-CB 3.48Å; T12-Y14 PolarHBondContact O-N 3.13Å; T12-Y14 VanDerWaalsContact O-N 3.16Å; T12-R15 PolarHBondContact O-N 3.17Å; T12-R15 VanDerWaalsContact O-N 3.11Å; T12-R15 PolarHBondContact OG1-N 3.03Å; T12-N16 PolarHBondContact O-N 3.35Å
13	K	68.4	Low	74.1	Confident	96 Å²	96	80.4 Å²	80.4	42%	0.417	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-32.2	169.7	161.3	178.7	172.9	-177.2	0	112.1	R15 N16 E64	K13-R15 VanDerWaalsContact C-N 3.34Å; K13-R15 PolarHBondContact O-N 3.49Å; K13-N16 CarbonylContact O-C 3.13Å; K13-N16 PolarHBondContact O-N 3.36Å; K13-E64 WeakPolarHBondContact CD-OE2 3.4Å; K13-E64 IonicContact NZ-OE1 2.66Å; K13-E64 PolarHBondContact NZ-OE1 3.37Å; K13-E64 IonicContact NZ-OE2 2.8Å; K13-E64 PolarHBondContact NZ-OE2 3.07Å
14	Y	68.3	Low	75.3	Confident	212 Å²	212	76.4 Å²	76.4	83%	0.831	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-40.3	178.9	-174.7	-96.9	0	0	0	112.8	T12	T12-Y14 PolarHBondContact O-N 3.13Å; T12-Y14 VanDerWaalsContact O-N 3.16Å
15	R	71.4	Confident	76.2	Confident	196 Å²	196	76.4 Å²	76.4	74%	0.74	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-30.8	179.8	-172.7	174.2	-82.2	-145.9	-3.4	112.4	T12 K13	T12-R15 PolarHBondContact O-N 3.17Å; T12-R15 VanDerWaalsContact O-N 3.11Å; T12-R15 PolarHBondContact OG1-N 3.03Å; K13-R15 VanDerWaalsContact C-N 3.34Å; K13-R15 PolarHBondContact O-N 3.49Å
16	N	69.4	Low	76.9	Confident	81 Å²	81	77.3 Å²	77.3	43%	0.433	39%	0.39	S	S	.	.			trans	-137.6	98.5	178.9	-77	-64.1	0	0	0	110.1	T11 T12 K13 S18 L19	T11-N16 HydrophobicContact CG2-CB 4.26Å; T12-N16 PolarHBondContact O-N 3.35Å; K13-N16 CarbonylContact O-C 3.13Å; K13-N16 PolarHBondContact O-N 3.36Å; N16-S18 PolarHBondContact O-N 3.22Å; N16-L19 HydrophobicContact CB-CB 4.06Å; N16-L19 WeakPolarHBondContact O-CB 3.44Å; N16-L19 PolarHBondContact O-N 2.68Å
17	P	72.8	Confident	77	Confident	114 Å²	114	79.9 Å²	79.9	74%	0.74	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.1	-178.3	25.7	-33.5	0	0	0	113.2	L19	P17-L19 VanDerWaalsContact C-N 3.3Å
18	S	72.8	Confident	77.3	Confident	112 Å²	112	79.2 Å²	79.2	78%	0.783	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	1.3	173.9	-48.2	0	0	0	0	113.5	N16 K20	N16-S18 PolarHBondContact O-N 3.22Å; S18-K20 PolarHBondContact O-N 2.97Å
19	L	77.4	Confident	77.5	Confident	37 Å²	37	76.7 Å²	76.7	19%	0.194	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-67.2	119	-179.8	-169.7	80.3	0	0	0	110.1	T11 N16 P17 L21 C31	T11-L19 HydrophobicContact CG2-CD1 4.04Å; T11-L19 HydrophobicContact CG2-CD2 3.89Å; N16-L19 HydrophobicContact CB-CB 4.06Å; N16-L19 WeakPolarHBondContact O-CB 3.44Å; N16-L19 PolarHBondContact O-N 2.68Å; P17-L19 VanDerWaalsContact C-N 3.3Å; L19-L21 HydrophobicContact CD2-CD2 4.29Å; L19-C31 HydrophobicContact CD1-CB 3.9Å; L19-C31 HydrophobicContact CD2-CB 4.5Å; L19-C31 HydrophobicContact CG-CB 4.34Å
20	K	78.8	Confident	77.7	Confident	105 Å²	105	74.1 Å²	74.1	46%	0.457	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-92.8	122.9	172.2	-65.8	175.4	-174.1	169.4	0	109.9	S18 E32	S18-K20 PolarHBondContact O-N 2.97Å; K20-E32 HydrophobicContact CB-CB 4.39Å; K20-E32 PolarHBondContact O-N 3.37Å
21	L	81.1	Confident	78.2	Confident	16 Å²	16	65.7 Å²	65.7	8%	0.084	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.3	170.1	-67.3	165.6	0	0	0	109.1	Q4 C6 L19 Q61	Q4-L21 HydrophobicContact CB-CD1 4Å; Q4-L21 VanDerWaalsContact O-CD1 3.24Å; Q4-L21 WeakPolarHBondContact O-CD1 3.35Å; C6-L21 HydrophobicContact CB-CD2 4.24Å; L19-L21 HydrophobicContact CD2-CD2 4.29Å; L21-Q61 PolarHBondContact O-N 3.32Å; L21-Q61 VanDerWaalsContact O-N 3.16Å
22	M	82.4	Confident	78.5	Confident	25 Å²	25	68.1 Å²	68.1	12%	0.123	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.7	176.5	-63.1	-177.2	-179.4	0	0	108.9	T29 L30 E32 F58 R59 V60	M22-T29 CarbonylContact O-C 3.56Å; M22-T29 WeakPolarHBondContact O-CA 3.44Å; M22-L30 PolarHBondContact N-O 3.07Å; M22-L30 PolarHBondContact O-N 3.25Å; M22-E32 HydrophobicContact CE-CB 3.98Å; M22-E32 HydrophobicContact CE-CG 3.73Å; M22-F58 HydrophobicContact CB-CB 4.38Å; M22-F58 HydrophobicContact CB-CD1 4Å; M22-F58 HydrophobicContact SD-CB 4.05Å; M22-R59 CarbonylContact C-O 3.55Å; M22-R59 VanDerWaalsContact CA-O 3.32Å; M22-R59 WeakPolarHBondContact CA-O 3.37Å; M22-V60 HydrophobicContact CE-CG2 3.47Å; M22-V60 VanDerWaalsContact CE-CG2 3.47Å; M22-V60 HydrophobicContact CG-CG2 3.78Å; M22-V60 HydrophobicContact SD-CG2 4.12Å
23	V	84.8	Confident	78.9	Confident	44 Å²	44	70.3 Å²	70.3	27%	0.267	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134	173.9	-176.7	0	0	0	0	108.2	T29 R59 Q61	V23-T29 HydrophobicContact CG2-CG2 3.73Å; V23-R59 PolarHBondContact N-O 3.3Å; V23-R59 PolarHBondContact O-N 3.16Å; V23-Q61 HydrophobicContact CG2-CB 4.49Å
24	N	81.6	Confident	79.7	Confident	8 Å²	8	66.2 Å²	66.2	4%	0.043	36%	0.359	C	S	.	.			trans	-95.8	176.3	176	60.6	35.2	0	0	0	111.8	C26 G27 H28 L53 F58	N24-C26 PolarHBondContact O-N 3.42Å; N24-C26 PolarHBondContact OD1-N 2.93Å; N24-C26 VanDerWaalsContact OD1-N 3.1Å; N24-C26 PolarHBondContact OD1-SG 3.24Å; N24-G27 PolarHBondContact O-N 3.48Å; N24-G27 PolarHBondContact OD1-N 3.07Å; N24-H28 PolarHBondContact N-O 2.92Å; N24-H28 VanDerWaalsContact N-O 3.14Å; N24-H28 PolarHBondContact ND2-O 3.41Å; N24-H28 PolarHBondContact OD1-N 3.41Å; N24-H28 PolarHBondContact OD1-O 3.05Å; N24-L53 HydrophobicContact CB-CD1 4.15Å; N24-L53 HydrophobicContact CB-CD2 3.88Å; N24-F58 HydrophobicContact CB-CD1 4.24Å; N24-F58 HydrophobicContact CB-CE1 3.99Å
25	V	82.4	Confident	80.4	Confident	91 Å²	91	56.5 Å²	56.5	55%	0.552	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.2	179.1	-67.4	0	0	0	0	114.6	G27 L53 N57	V25-G27 VanDerWaalsContact C-N 3.33Å; V25-L53 HydrophobicContact CG2-CD2 3.87Å; V25-N57 HydrophobicContact CG1-CB 3.91Å
26	C	84.8	Confident	81.1	Confident	41 Å²	41	50.8 Å²	50.8	28%	0.277	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	0.7	175.8	48.9	0	0	0	0	113.2	N24 H28 C46 C49	N24-C26 PolarHBondContact O-N 3.42Å; N24-C26 PolarHBondContact OD1-N 2.93Å; N24-C26 VanDerWaalsContact OD1-N 3.1Å; N24-C26 PolarHBondContact OD1-SG 3.24Å; C26-H28 PolarHBondContact SG-ND1 3.08Å; C26-H28 VanDerWaalsContact SG-ND1 3.36Å; C26-C46 PolarHBondContact SG-SG 3.39Å; C26-C49 VanDerWaalsContact CB-SG 3.57Å; C26-C49 PolarHBondContact SG-SG 3.28Å
27	G	79.3	Confident	81.8	Confident	54 Å²	54	51.2 Å²	51.2	56%	0.557	31%	0.307	S	S	*	.	S	Bend	trans	84	5.3	177.5	0	0	0	0	0	114.9	N24 V25	N24-G27 PolarHBondContact O-N 3.48Å; N24-G27 PolarHBondContact OD1-N 3.07Å; V25-G27 VanDerWaalsContact C-N 3.33Å
28	H	84.1	Confident	82.4	Confident	47 Å²	47	46 Å²	46	22%	0.218	27%	0.273	C	S	.	.			trans	-87.9	142.6	175.1	-54.8	105	0	0	0	111	N24 C26 L30 C46 E48	N24-H28 PolarHBondContact N-O 2.92Å; N24-H28 VanDerWaalsContact N-O 3.14Å; N24-H28 PolarHBondContact ND2-O 3.41Å; N24-H28 PolarHBondContact OD1-N 3.41Å; N24-H28 PolarHBondContact OD1-O 3.05Å; C26-H28 PolarHBondContact SG-ND1 3.08Å; C26-H28 VanDerWaalsContact SG-ND1 3.36Å; H28-L30 HydrophobicContact CB-CD1 4.44Å; H28-C46 PolarHBondContact ND1-SG 3.05Å; H28-C46 VanDerWaalsContact ND1-SG 3.41Å; H28-E48 WeakPolarHBondContact CB-OE2 3.47Å; H28-E48 IonicContact CD2-OE1 3.84Å; H28-E48 IonicContact CD2-OE2 3.03Å; H28-E48 PolarHBondContact CD2-OE2 3.14Å; H28-E48 IonicContact CG-OE2 3.41Å
29	T	81.3	Confident	82.8	Confident	34 Å²	34	43.1 Å²	43.1	21%	0.209	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.5	178.7	47.4	0	0	0	0	110.9	P7 M22 V23	P7-T29 WeakPolarHBondContact CD-O 3.29Å; M22-T29 CarbonylContact O-C 3.56Å; M22-T29 WeakPolarHBondContact O-CA 3.44Å; V23-T29 HydrophobicContact CG2-CG2 3.73Å
30	L	83.6	Confident	83.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	149.5	173.1	-81.1	88.1	0	0	0	110.8	M22 H28 V35 L38 P47	M22-L30 PolarHBondContact N-O 3.07Å; M22-L30 PolarHBondContact O-N 3.25Å; H28-L30 HydrophobicContact CB-CD1 4.44Å; L30-V35 HydrophobicContact CB-CG2 3.69Å; L30-V35 HydrophobicContact CD2-CG2 4.41Å; L30-L38 HydrophobicContact CD2-CD1 4.39Å; L30-P47 HydrophobicContact CD2-CG 4.18Å
31	C	85.2	Confident	83.2	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.02	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	147.5	174.5	87.6	0	0	0	0	111.7	C6 C9 L19 S33 C34 V35	C6-C31 HydrophobicContact CB-CB 3.68Å; C6-C31 PolarHBondContact SG-N 3.14Å; C9-C31 VanDerWaalsContact SG-SG 3.67Å; L19-C31 HydrophobicContact CD1-CB 3.9Å; L19-C31 HydrophobicContact CD2-CB 4.5Å; L19-C31 HydrophobicContact CG-CB 4.34Å; C31-S33 VanDerWaalsContact C-N 3.29Å; C31-S33 PolarHBondContact O-N 3.14Å; C31-C34 HydrophobicContact CB-CB 4.13Å; C31-C34 WeakPolarHBondContact CB-SG 3.35Å; C31-C34 WeakPolarHBondContact O-CA 3.18Å; C31-C34 VanDerWaalsContact O-CB 3.24Å; C31-C34 WeakPolarHBondContact O-CB 3.44Å; C31-C34 PolarHBondContact O-N 2.82Å; C31-C34 WeakPolarHBondContact SG-CB 3.41Å; C31-C34 PolarHBondContact SG-N 3.09Å; C31-C34 CovalentContact SG-SG 2.07Å; C31-C34 PolarHBondContact SG-SG 3.48Å; C31-V35 WeakPolarHBondContact O-CG2 3.38Å; C31-V35 PolarHBondContact O-N 3.1Å
32	E	83.9	Confident	83	Confident	79 Å²	79	53.5 Å²	53.5	37%	0.369	31%	0.313	S	S	.	.	H	α-helix	trans	-49.7	-48.2	176.9	-176.2	175.8	94.4	0	0	112.3	K20 M22 C34 V35 D36	K20-E32 HydrophobicContact CB-CB 4.39Å; K20-E32 PolarHBondContact O-N 3.37Å; M22-E32 HydrophobicContact CE-CB 3.98Å; M22-E32 HydrophobicContact CE-CG 3.73Å; E32-C34 VanDerWaalsContact C-N 3.26Å; E32-C34 PolarHBondContact O-N 3.25Å; E32-V35 PolarHBondContact O-N 3.22Å; E32-D36 PolarHBondContact O-N 3.18Å
33	S	84.1	Confident	82.4	Confident	82 Å²	82	54.1 Å²	54.1	57%	0.573	32%	0.322	S	S	*	.	H	α-helix	trans	-60.7	-35.4	177.1	-41.8	0	0	0	0	112.8	C31 L37	C31-S33 VanDerWaalsContact C-N 3.29Å; C31-S33 PolarHBondContact O-N 3.14Å; S33-L37 WeakPolarHBondContact O-CB 3.19Å; S33-L37 PolarHBondContact O-N 2.92Å; S33-L37 VanDerWaalsContact O-N 3.07Å
34	C	84	Confident	82.1	Confident	9 Å²	9	53 Å²	53	6%	0.061	32%	0.319	C	S	.	.	H	α-helix	trans	-73.2	-36.6	-178	-54.8	0	0	0	0	111.1	C6 R8 C9 C31 E32 L38	C6-C34 PolarHBondContact SG-SG 2.87Å; R8-C34 PolarHBondContact NH1-O 2.94Å; R8-C34 VanDerWaalsContact NH1-O 3.1Å; C9-C34 PolarHBondContact SG-SG 2.9Å; C31-C34 HydrophobicContact CB-CB 4.13Å; C31-C34 WeakPolarHBondContact CB-SG 3.35Å; C31-C34 WeakPolarHBondContact O-CA 3.18Å; C31-C34 VanDerWaalsContact O-CB 3.24Å; C31-C34 WeakPolarHBondContact O-CB 3.44Å; C31-C34 PolarHBondContact O-N 2.82Å; C31-C34 WeakPolarHBondContact SG-CB 3.41Å; C31-C34 PolarHBondContact SG-N 3.09Å; C31-C34 CovalentContact SG-SG 2.07Å; C31-C34 PolarHBondContact SG-SG 3.48Å; E32-C34 VanDerWaalsContact C-N 3.26Å; E32-C34 PolarHBondContact O-N 3.25Å; C34-L38 WeakPolarHBondContact O-CB 3.44Å; C34-L38 PolarHBondContact O-N 3.05Å
35	V	83.6	Confident	82.2	Confident	8 Å²	8	56.3 Å²	56.3	5%	0.048	34%	0.337	C	S	.	.	H	α-helix	trans	-66.3	-49.9	175.2	175.5	0	0	0	0	109.5	L30 C31 E32 L37 L38 F39 F58	L30-V35 HydrophobicContact CB-CG2 3.69Å; L30-V35 HydrophobicContact CD2-CG2 4.41Å; C31-V35 WeakPolarHBondContact O-CG2 3.38Å; C31-V35 PolarHBondContact O-N 3.1Å; E32-V35 PolarHBondContact O-N 3.22Å; V35-L37 VanDerWaalsContact C-N 3.32Å; V35-L37 PolarHBondContact O-N 3.04Å; V35-L38 WeakPolarHBondContact O-CB 3.37Å; V35-L38 PolarHBondContact O-N 3.04Å; V35-L38 VanDerWaalsContact O-N 3.07Å; V35-F39 HydrophobicContact CG1-CD2 3.82Å; V35-F39 HydrophobicContact CG1-CE2 3.54Å; V35-F39 WeakPolarHBondContact O-CD2 3.05Å; V35-F39 PolarHBondContact O-N 3.45Å; V35-F39 VanDerWaalsContact O-N 3.1Å; V35-F58 HydrophobicContact CB-CE1 4.39Å; V35-F58 HydrophobicContact CG1-CD1 4.14Å; V35-F58 HydrophobicContact CG1-CD2 4Å; V35-F58 HydrophobicContact CG1-CE1 3.96Å; V35-F58 HydrophobicContact CG1-CE2 3.83Å; V35-F58 HydrophobicContact CG1-CG 4.15Å; V35-F58 HydrophobicContact CG1-CZ 3.78Å; V35-F58 HydrophobicContact CG2-CD1 3.79Å; V35-F58 HydrophobicContact CG2-CE1 3.44Å; V35-F58 VanDerWaalsContact CG2-CE1 3.44Å; V35-F58 HydrophobicContact CG2-CZ 3.97Å
36	D	85.6	Confident	82.3	Confident	77 Å²	77	52.1 Å²	52.1	41%	0.412	31%	0.312	S	S	.	.	H	α-helix	trans	-60.6	-43.1	178.2	-111.4	-59.6	0	0	0	111.9	E32 L38 F39 V40 K55	E32-D36 PolarHBondContact O-N 3.18Å; D36-L38 VanDerWaalsContact C-N 3.27Å; D36-L38 PolarHBondContact O-N 3.29Å; D36-F39 PolarHBondContact O-N 3.44Å; D36-F39 VanDerWaalsContact O-N 3.15Å; D36-V40 WeakPolarHBondContact O-CG2 2.98Å; D36-V40 PolarHBondContact O-N 3.15Å; D36-K55 IonicContact OD1-NZ 2.91Å; D36-K55 PolarHBondContact OD1-NZ 3.41Å
37	L	84.8	Confident	82	Confident	90 Å²	90	53.5 Å²	53.5	47%	0.471	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-29.6	176.5	-163.7	130.7	0	0	0	113.2	S33 V35 R41	S33-L37 WeakPolarHBondContact O-CB 3.19Å; S33-L37 PolarHBondContact O-N 2.92Å; S33-L37 VanDerWaalsContact O-N 3.07Å; V35-L37 VanDerWaalsContact C-N 3.32Å; V35-L37 PolarHBondContact O-N 3.04Å; L37-R41 PolarHBondContact O-N 3.1Å
38	L	84.1	Confident	82.1	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-45.5	173.4	-154.8	105.2	0	0	0	110.4	L30 C34 V35 D36 R41 G42 A43	L30-L38 HydrophobicContact CD2-CD1 4.39Å; C34-L38 WeakPolarHBondContact O-CB 3.44Å; C34-L38 PolarHBondContact O-N 3.05Å; V35-L38 WeakPolarHBondContact O-CB 3.37Å; V35-L38 PolarHBondContact O-N 3.04Å; V35-L38 VanDerWaalsContact O-N 3.07Å; D36-L38 VanDerWaalsContact C-N 3.27Å; D36-L38 PolarHBondContact O-N 3.29Å; L38-R41 PolarHBondContact O-N 3.05Å; L38-G42 PolarHBondContact O-N 2.96Å; L38-A43 WeakPolarHBondContact CD2-O 3.32Å; L38-A43 WeakPolarHBondContact CG-O 3.15Å; L38-A43 PolarHBondContact O-N 3.35Å; L38-A43 VanDerWaalsContact O-N 3.14Å
39	F	82.2	Confident	82.1	Confident	51 Å²	51	56.8 Å²	56.8	22%	0.224	33%	0.327	C	S	.	.	H	α-helix	trans	-71	-36.7	177.8	-74.9	-70.3	0	0	0	113.5	V35 D36 R41 G42 K55 F58	V35-F39 HydrophobicContact CG1-CD2 3.82Å; V35-F39 HydrophobicContact CG1-CE2 3.54Å; V35-F39 WeakPolarHBondContact O-CD2 3.05Å; V35-F39 PolarHBondContact O-N 3.45Å; V35-F39 VanDerWaalsContact O-N 3.1Å; D36-F39 PolarHBondContact O-N 3.44Å; D36-F39 VanDerWaalsContact O-N 3.15Å; F39-R41 VanDerWaalsContact C-N 3.3Å; F39-R41 PolarHBondContact O-N 3.47Å; F39-G42 PolarHBondContact O-N 2.87Å; F39-K55 VanDerWaalsContact CB-CE 3.48Å; F39-K55 HydrophobicContact CD1-CG 3.89Å; F39-K55 HydrophobicContact CD2-CD 4.06Å; F39-K55 HydrophobicContact CD2-CG 3.43Å; F39-K55 VanDerWaalsContact CD2-CG 3.43Å; F39-K55 HydrophobicContact CE1-CG 3.78Å; F39-K55 HydrophobicContact CE2-CB 4.22Å; F39-K55 HydrophobicContact CE2-CD 4.39Å; F39-K55 HydrophobicContact CE2-CG 3.29Å; F39-K55 HydrophobicContact CG-CD 4.15Å; F39-K55 HydrophobicContact CG-CG 3.75Å; F39-K55 HydrophobicContact CZ-CB 4.12Å; F39-K55 HydrophobicContact CZ-CG 3.5Å; F39-K55 VanDerWaalsContact CZ-CG 3.5Å; F39-F58 HydrophobicContact CE2-CD2 4.18Å; F39-F58 AromaticContact CE2-CE2 3.59Å; F39-F58 HydrophobicContact CE2-CE2 3.59Å; F39-F58 HydrophobicContact CE2-CZ 4.32Å; F39-F58 HydrophobicContact CZ-CD2 4.4Å; F39-F58 AromaticContact CZ-CE2 3.71Å; F39-F58 HydrophobicContact CZ-CE2 3.71Å
40	V	84.4	Confident	82.2	Confident	122 Å²	122	57.1 Å²	57.1	74%	0.739	34%	0.338	S	S	*	.	H	α-helix	trans	-62.3	-39	175.2	171.2	0	0	0	0	111.3	D36 G42	D36-V40 WeakPolarHBondContact O-CG2 2.98Å; D36-V40 PolarHBondContact O-N 3.15Å; V40-G42 PolarHBondContact O-N 2.89Å
41	R	80.8	Confident	82.2	Confident	188 Å²	188	59.8 Å²	59.8	71%	0.709	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-4.6	175.1	-88.8	-177.7	170.4	167.5	-1.2	114.1	L37 L38 F39 A43	L37-R41 PolarHBondContact O-N 3.1Å; L38-R41 PolarHBondContact O-N 3.05Å; F39-R41 VanDerWaalsContact C-N 3.3Å; F39-R41 PolarHBondContact O-N 3.47Å; R41-A43 PolarHBondContact O-N 3.16Å
42	G	75.7	Confident	82.1	Confident	66 Å²	66	64.5 Å²	64.5	68%	0.68	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	5.7	-174.9	0	0	0	0	0	114.3	L38 F39 V40 G44	L38-G42 PolarHBondContact O-N 2.96Å; F39-G42 PolarHBondContact O-N 2.87Å; V40-G42 PolarHBondContact O-N 2.89Å; G42-G44 PolarHBondContact O-N 2.91Å; G42-G44 VanDerWaalsContact O-N 3.09Å
43	A	70.9	Confident	82.1	Confident	38 Å²	38	61.1 Å²	61.1	31%	0.314	37%	0.369	S	S	.	.			trans	-84.2	81.5	176.7	0	0	0	0	0	108.4	L38 R41 N45	L38-A43 WeakPolarHBondContact CD2-O 3.32Å; L38-A43 WeakPolarHBondContact CG-O 3.15Å; L38-A43 PolarHBondContact O-N 3.35Å; L38-A43 VanDerWaalsContact O-N 3.14Å; R41-A43 PolarHBondContact O-N 3.16Å; A43-N45 PolarHBondContact O-N 3.06Å
44	G	77.1	Confident	81.9	Confident	20 Å²	20	66.2 Å²	66.2	21%	0.206	38%	0.376	C	S	.	.			trans	-74.4	33.2	175.2	0	0	0	0	0	112.9	G42 P52 L53	G42-G44 PolarHBondContact O-N 2.91Å; G42-G44 VanDerWaalsContact O-N 3.09Å; G44-P52 CarbonylContact O-C 3.43Å; G44-P52 VanDerWaalsContact O-CA 3.29Å; G44-P52 WeakPolarHBondContact O-CA 3.48Å; G44-L53 PolarHBondContact O-N 2.85Å
45	N	84.6	Confident	81.3	Confident	78 Å²	78	71.2 Å²	71.2	42%	0.417	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-123.3	140.2	-171.5	-58.3	89.3	0	0	0	110.9	A43 G50 T51	A43-N45 PolarHBondContact O-N 3.06Å; N45-G50 PolarHBondContact ND2-O 3.46Å; N45-T51 CarbonylContact C-O 3.58Å; N45-T51 WeakPolarHBondContact CA-O 3.4Å
46	C	84.3	Confident	80.9	Confident	3 Å²	3	76.3 Å²	76.3	2%	0.02	43%	0.433	C	S	.	.			trans	-59.5	130.5	173.7	-172	0	0	0	0	110.2	C26 H28 E48 C49 G50 T51 L53	C26-C46 PolarHBondContact SG-SG 3.39Å; H28-C46 PolarHBondContact ND1-SG 3.05Å; H28-C46 VanDerWaalsContact ND1-SG 3.41Å; C46-E48 PolarHBondContact O-N 3.39Å; C46-C49 WeakPolarHBondContact CB-SG 3.34Å; C46-G50 WeakPolarHBondContact O-CA 3.21Å; C46-G50 PolarHBondContact O-N 3.01Å; C46-T51 PolarHBondContact N-O 2.94Å; C46-L53 HydrophobicContact CB-CD1 3.77Å; C46-L53 HydrophobicContact CB-CG 4.17Å
47	P	78.6	Confident	80.5	Confident	70 Å²	70	76 Å²	76	46%	0.455	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.5	-179.7	27.7	-35.1	0	0	0	113.8	L30	L30-P47 HydrophobicContact CD2-CG 4.18Å
48	E	81.9	Confident	80	Confident	111 Å²	111	72.9 Å²	72.9	52%	0.519	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-41.6	-179.2	-65.3	-168.2	84.9	0	0	112.5	H28 C46	H28-E48 WeakPolarHBondContact CB-OE2 3.47Å; H28-E48 IonicContact CD2-OE1 3.84Å; H28-E48 IonicContact CD2-OE2 3.03Å; H28-E48 PolarHBondContact CD2-OE2 3.14Å; H28-E48 IonicContact CG-OE2 3.41Å; C46-E48 PolarHBondContact O-N 3.39Å
49	C	84.1	Confident	79.5	Confident	59 Å²	59	82.6 Å²	82.6	40%	0.399	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-2.3	-175.7	63.7	0	0	0	0	115.4	C26 C46 T51	C26-C49 VanDerWaalsContact CB-SG 3.57Å; C26-C49 PolarHBondContact SG-SG 3.28Å; C46-C49 WeakPolarHBondContact CB-SG 3.34Å; C49-T51 PolarHBondContact O-N 2.99Å; C49-T51 VanDerWaalsContact O-N 3.07Å; C49-T51 PolarHBondContact SG-OG1 3.26Å
50	G	81.9	Confident	79	Confident	42 Å²	42	83 Å²	83	43%	0.433	46%	0.456	S	S	.	.			trans	71.9	-4.8	178.8	0	0	0	0	0	115.6	N45 C46	N45-G50 PolarHBondContact ND2-O 3.46Å; C46-G50 WeakPolarHBondContact O-CA 3.21Å; C46-G50 PolarHBondContact O-N 3.01Å
51	T	83.8	Confident	78.1	Confident	55 Å²	55	80.9 Å²	80.9	34%	0.337	44%	0.438	S	S	.	.			trans	-56.9	133.6	-179	-55.8	0	0	0	0	111.2	N45 C46 C49 L53	N45-T51 CarbonylContact C-O 3.58Å; N45-T51 WeakPolarHBondContact CA-O 3.4Å; C46-T51 PolarHBondContact N-O 2.94Å; C49-T51 PolarHBondContact O-N 2.99Å; C49-T51 VanDerWaalsContact O-N 3.07Å; C49-T51 PolarHBondContact SG-OG1 3.26Å; T51-L53 PolarHBondContact O-N 3.32Å
52	P	83.9	Confident	77	Confident	103 Å²	103	77.7 Å²	77.7	67%	0.669	44%	0.435	S	S	*	.	B	Isolated β-bridge	trans	-64.9	119.2	175.2	26.7	-33.8	0	0	0	110.7	G44	G44-P52 CarbonylContact O-C 3.43Å; G44-P52 VanDerWaalsContact O-CA 3.29Å; G44-P52 WeakPolarHBondContact O-CA 3.48Å
53	L	82.8	Confident	75.9	Confident	8 Å²	8	78.6 Å²	78.6	4%	0.042	42%	0.42	C	S	.	.			trans	-104.9	142.2	178.4	-60.6	179	0	0	0	110.4	N24 V25 G44 C46 T51 F58	N24-L53 HydrophobicContact CB-CD1 4.15Å; N24-L53 HydrophobicContact CB-CD2 3.88Å; V25-L53 HydrophobicContact CG2-CD2 3.87Å; G44-L53 PolarHBondContact O-N 2.85Å; C46-L53 HydrophobicContact CB-CD1 3.77Å; C46-L53 HydrophobicContact CB-CG 4.17Å; T51-L53 PolarHBondContact O-N 3.32Å; L53-F58 HydrophobicContact CB-CE2 4.05Å; L53-F58 HydrophobicContact CB-CZ 4.16Å; L53-F58 HydrophobicContact CD1-CE1 4.36Å; L53-F58 HydrophobicContact CD1-CE2 4.42Å; L53-F58 HydrophobicContact CD1-CZ 3.69Å; L53-F58 HydrophobicContact CG-CZ 4.49Å
54	R	80.6	Confident	75.1	Confident	188 Å²	188	81.6 Å²	81.6	71%	0.709	43%	0.428	S	S	*	.			trans	-114.1	152.1	170.8	-64.1	179.1	174.6	-140.1	-1.7	110.3	S56 N57 F58	R54-S56 PolarHBondContact O-N 3.36Å; R54-S56 VanDerWaalsContact O-N 3.16Å; R54-N57 WeakPolarHBondContact CB-OD1 3.41Å; R54-N57 WeakPolarHBondContact O-CB 3.34Å; R54-N57 PolarHBondContact O-N 3.03Å; R54-F58 VanDerWaalsContact O-CD2 3.32Å; R54-F58 WeakPolarHBondContact O-CD2 3.21Å
55	K	72.7	Confident	73.6	Confident	114 Å²	114	84.8 Å²	84.8	50%	0.496	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-53.1	-37.5	178.3	-84.7	-169	173.3	-161.8	0	112.1	D36 F39 N57 F58	D36-K55 IonicContact OD1-NZ 2.91Å; D36-K55 PolarHBondContact OD1-NZ 3.41Å; F39-K55 VanDerWaalsContact CB-CE 3.48Å; F39-K55 HydrophobicContact CD1-CG 3.89Å; F39-K55 HydrophobicContact CD2-CD 4.06Å; F39-K55 HydrophobicContact CD2-CG 3.43Å; F39-K55 VanDerWaalsContact CD2-CG 3.43Å; F39-K55 HydrophobicContact CE1-CG 3.78Å; F39-K55 HydrophobicContact CE2-CB 4.22Å; F39-K55 HydrophobicContact CE2-CD 4.39Å; F39-K55 HydrophobicContact CE2-CG 3.29Å; F39-K55 HydrophobicContact CG-CD 4.15Å; F39-K55 HydrophobicContact CG-CG 3.75Å; F39-K55 HydrophobicContact CZ-CB 4.12Å; F39-K55 HydrophobicContact CZ-CG 3.5Å; F39-K55 VanDerWaalsContact CZ-CG 3.5Å; K55-N57 VanDerWaalsContact C-N 3.25Å; K55-N57 PolarHBondContact O-N 3.14Å; K55-F58 PolarHBondContact O-N 3.21Å
56	S	74.4	Confident	72.1	Confident	116 Å²	116	85.7 Å²	85.7	81%	0.811	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-69.8	-16.4	179.8	-47.7	0	0	0	0	114.9	R54	R54-S56 PolarHBondContact O-N 3.36Å; R54-S56 VanDerWaalsContact O-N 3.16Å
57	N	76.1	Confident	70.7	Confident	69 Å²	69	89.3 Å²	89.3	37%	0.369	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-94.3	-0.2	-176.3	-72.9	85.3	0	0	0	113	V25 R54 K55	V25-N57 HydrophobicContact CG1-CB 3.91Å; R54-N57 WeakPolarHBondContact CB-OD1 3.41Å; R54-N57 WeakPolarHBondContact O-CB 3.34Å; R54-N57 PolarHBondContact O-N 3.03Å; K55-N57 VanDerWaalsContact C-N 3.25Å; K55-N57 PolarHBondContact O-N 3.14Å
58	F	75.7	Confident	69.8	Low	25 Å²	25	88.2 Å²	88.2	11%	0.11	46%	0.464	C	S	.	.			trans	-83.2	127.3	171.9	-74.1	-89.9	0	0	0	109.8	M22 N24 V35 F39 L53 R54 K55	M22-F58 HydrophobicContact CB-CB 4.38Å; M22-F58 HydrophobicContact CB-CD1 4Å; M22-F58 HydrophobicContact SD-CB 4.05Å; N24-F58 HydrophobicContact CB-CD1 4.24Å; N24-F58 HydrophobicContact CB-CE1 3.99Å; V35-F58 HydrophobicContact CB-CE1 4.39Å; V35-F58 HydrophobicContact CG1-CD1 4.14Å; V35-F58 HydrophobicContact CG1-CD2 4Å; V35-F58 HydrophobicContact CG1-CE1 3.96Å; V35-F58 HydrophobicContact CG1-CE2 3.83Å; V35-F58 HydrophobicContact CG1-CG 4.15Å; V35-F58 HydrophobicContact CG1-CZ 3.78Å; V35-F58 HydrophobicContact CG2-CD1 3.79Å; V35-F58 HydrophobicContact CG2-CE1 3.44Å; V35-F58 VanDerWaalsContact CG2-CE1 3.44Å; V35-F58 HydrophobicContact CG2-CZ 3.97Å; F39-F58 HydrophobicContact CE2-CD2 4.18Å; F39-F58 AromaticContact CE2-CE2 3.59Å; F39-F58 HydrophobicContact CE2-CE2 3.59Å; F39-F58 HydrophobicContact CE2-CZ 4.32Å; F39-F58 HydrophobicContact CZ-CD2 4.4Å; F39-F58 AromaticContact CZ-CE2 3.71Å; F39-F58 HydrophobicContact CZ-CE2 3.71Å; L53-F58 HydrophobicContact CB-CE2 4.05Å; L53-F58 HydrophobicContact CB-CZ 4.16Å; L53-F58 HydrophobicContact CD1-CE1 4.36Å; L53-F58 HydrophobicContact CD1-CE2 4.42Å; L53-F58 HydrophobicContact CD1-CZ 3.69Å; L53-F58 HydrophobicContact CG-CZ 4.49Å; R54-F58 VanDerWaalsContact O-CD2 3.32Å; R54-F58 WeakPolarHBondContact O-CD2 3.21Å; K55-F58 PolarHBondContact O-N 3.21Å
59	R	73.6	Confident	68.8	Low	208 Å²	208	86.7 Å²	86.7	79%	0.785	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.4	171.1	-69.9	-176.9	170.8	-176.2	-3.1	108.3	M22 V23 Q61	M22-R59 CarbonylContact C-O 3.55Å; M22-R59 VanDerWaalsContact CA-O 3.32Å; M22-R59 WeakPolarHBondContact CA-O 3.37Å; V23-R59 PolarHBondContact N-O 3.3Å; V23-R59 PolarHBondContact O-N 3.16Å; R59-Q61 PolarHBondContact O-N 3.07Å
60	V	71.9	Confident	67.7	Low	60 Å²	60	90.3 Å²	90.3	36%	0.364	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	122.5	171.5	167.7	0	0	0	0	108.2	M22 L62	M22-V60 HydrophobicContact CE-CG2 3.47Å; M22-V60 VanDerWaalsContact CE-CG2 3.47Å; M22-V60 HydrophobicContact CG-CG2 3.78Å; M22-V60 HydrophobicContact SD-CG2 4.12Å; V60-L62 VanDerWaalsContact C-N 3.27Å; V60-L62 HydrophobicContact CB-CD1 4.41Å; V60-L62 HydrophobicContact CG1-CB 4.16Å; V60-L62 HydrophobicContact CG1-CD1 3.38Å; V60-L62 HydrophobicContact CG1-CG 4.36Å; V60-L62 PolarHBondContact O-N 3.01Å
61	Q	64.9	Low	66.9	Low	78 Å²	78	94.4 Å²	94.4	36%	0.364	48%	0.476	S	S	.	.			trans	-78.3	89.2	165	-171.6	166.2	0.1	0	0	106.3	L21 V23 R59 F63	L21-Q61 PolarHBondContact O-N 3.32Å; L21-Q61 VanDerWaalsContact O-N 3.16Å; V23-Q61 HydrophobicContact CG2-CB 4.49Å; R59-Q61 PolarHBondContact O-N 3.07Å; Q61-F63 WeakPolarHBondContact CG-O 3.35Å; Q61-F63 PolarHBondContact O-N 3.1Å
62	L	57.7	Low	66.1	Low	121 Å²	121	94.5 Å²	94.5	63%	0.634	48%	0.477	S	S	*	.			trans	-69.4	-21.7	-171.8	-148	78.1	0	0	0	111.8	V60	V60-L62 VanDerWaalsContact C-N 3.27Å; V60-L62 HydrophobicContact CB-CD1 4.41Å; V60-L62 HydrophobicContact CG1-CB 4.16Å; V60-L62 HydrophobicContact CG1-CD1 3.38Å; V60-L62 HydrophobicContact CG1-CG 4.36Å; V60-L62 PolarHBondContact O-N 3.01Å
63	F	52.2	Low	65.2	Low	84 Å²	84	94.6 Å²	94.6	37%	0.368	47%	0.468	S	S	.	.			trans	-139.6	138.7	175.7	-75.9	-83	0	0	0	111.1	Q61 D65 V68	Q61-F63 WeakPolarHBondContact CG-O 3.35Å; Q61-F63 PolarHBondContact O-N 3.1Å; F63-D65 WeakPolarHBondContact CB-O 3.32Å; F63-D65 PolarHBondContact O-N 2.84Å; F63-V68 HydrophobicContact CD1-CB 3.67Å; F63-V68 HydrophobicContact CD1-CG1 3.55Å; F63-V68 HydrophobicContact CD1-CG2 4.27Å; F63-V68 HydrophobicContact CD2-CG1 4.47Å; F63-V68 HydrophobicContact CE1-CB 4Å; F63-V68 HydrophobicContact CE1-CG1 3.3Å; F63-V68 HydrophobicContact CE2-CG1 4.27Å; F63-V68 HydrophobicContact CG-CB 4.04Å; F63-V68 HydrophobicContact CG-CG1 4.15Å; F63-V68 HydrophobicContact CZ-CG1 3.7Å
64	E	54.3	Low	64.5	Low	102 Å²	102	99.1 Å²	99.1	48%	0.477	49%	0.492	S	S	.	.	S	Bend	trans	-65.9	-22.7	168	-147.3	160.5	94.2	0	0	110.7	K13	K13-E64 WeakPolarHBondContact CD-OE2 3.4Å; K13-E64 IonicContact NZ-OE1 2.66Å; K13-E64 PolarHBondContact NZ-OE1 3.37Å; K13-E64 IonicContact NZ-OE2 2.8Å; K13-E64 PolarHBondContact NZ-OE2 3.07Å
65	D	44.8	Very low	63.9	Low	87 Å²	87	99.2 Å²	99.2	47%	0.465	49%	0.492	S	S	.	.			trans	-114.1	116.7	-176.6	-88.4	-85.8	0	0	0	112.7	F63 T67 V68	F63-D65 WeakPolarHBondContact CB-O 3.32Å; F63-D65 PolarHBondContact O-N 2.84Å; D65-T67 PolarHBondContact O-N 3.22Å; D65-T67 VanDerWaalsContact O-N 3.09Å; D65-T67 PolarHBondContact OD1-OG1 3.03Å; D65-V68 HydrophobicContact CB-CG2 3.95Å; D65-V68 PolarHBondContact O-N 3.26Å
66	P	53.3	Low	63.6	Low	96 Å²	96	100.8 Å²	100.8	62%	0.623	50%	0.499	S	S	*	.	H	α-helix	trans	-65	-9.4	173.2	26.6	-33.2	0	0	0	113.5	K70	P66-K70 WeakPolarHBondContact O-CG 3.39Å
67	T	56.1	Low	63.3	Low	80 Å²	80	101.8 Å²	101.8	49%	0.491	49%	0.489	S	S	.	.	H	α-helix	trans	-73.5	-40.9	174.5	7	0	0	0	0	111.8	D65 K70 E71	D65-T67 PolarHBondContact O-N 3.22Å; D65-T67 VanDerWaalsContact O-N 3.09Å; D65-T67 PolarHBondContact OD1-OG1 3.03Å; T67-K70 PolarHBondContact O-N 3.33Å; T67-E71 WeakPolarHBondContact O-CG 3.48Å; T67-E71 PolarHBondContact O-N 2.94Å
68	V	59.4	Low	62.9	Low	46 Å²	46	101.6 Å²	101.6	28%	0.279	49%	0.49	S	S	.	.	H	α-helix	trans	-72.7	-35.9	-174.9	-175.9	0	0	0	0	111.6	F63 D65 E71 V72	F63-V68 HydrophobicContact CD1-CB 3.67Å; F63-V68 HydrophobicContact CD1-CG1 3.55Å; F63-V68 HydrophobicContact CD1-CG2 4.27Å; F63-V68 HydrophobicContact CD2-CG1 4.47Å; F63-V68 HydrophobicContact CE1-CB 4Å; F63-V68 HydrophobicContact CE1-CG1 3.3Å; F63-V68 HydrophobicContact CE2-CG1 4.27Å; F63-V68 HydrophobicContact CG-CB 4.04Å; F63-V68 HydrophobicContact CG-CG1 4.15Å; F63-V68 HydrophobicContact CZ-CG1 3.7Å; D65-V68 HydrophobicContact CB-CG2 3.95Å; D65-V68 PolarHBondContact O-N 3.26Å; V68-E71 PolarHBondContact O-N 3.27Å; V68-V72 HydrophobicContact CG1-CG2 4.44Å; V68-V72 WeakPolarHBondContact O-CG2 3.12Å; V68-V72 PolarHBondContact O-N 3.22Å
69	D	59.8	Low	62.3	Low	80 Å²	80	105.7 Å²	105.7	43%	0.428	51%	0.512	S	S	.	.	H	α-helix	trans	-61.8	-44.9	175.1	-165.5	-110	0	0	0	111.3	E71 V72 E73	D69-E71 PolarHBondContact O-N 3.01Å; D69-V72 PolarHBondContact O-N 2.9Å; D69-E73 PolarHBondContact O-N 2.8Å
70	K	62	Low	61.8	Low	134 Å²	134	103.4 Å²	103.4	58%	0.583	51%	0.508	S	S	*	.	H	α-helix	trans	-61.1	-43	173.7	-69.6	176.2	-176.8	177.5	0	112	P66 T67 E73 I74	P66-K70 WeakPolarHBondContact O-CG 3.39Å; T67-K70 PolarHBondContact O-N 3.33Å; K70-E73 PolarHBondContact O-N 3.1Å; K70-I74 WeakPolarHBondContact O-CB 3.24Å; K70-I74 WeakPolarHBondContact O-CD1 3.25Å; K70-I74 WeakPolarHBondContact O-CG1 3.11Å; K70-I74 PolarHBondContact O-N 2.07Å
71	E	64	Low	61.3	Low	128 Å²	128	106.1 Å²	106.1	60%	0.598	52%	0.519	S	S	*	.	H	α-helix	trans	-63	-41.4	177.1	-76.4	-172.3	89.8	0	0	112.1	T67 V68 D69 I74 R75	T67-E71 WeakPolarHBondContact O-CG 3.48Å; T67-E71 PolarHBondContact O-N 2.94Å; V68-E71 PolarHBondContact O-N 3.27Å; D69-E71 PolarHBondContact O-N 3.01Å; E71-I74 PolarHBondContact O-N 3.35Å; E71-R75 WeakPolarHBondContact O-CB 3.12Å; E71-R75 PolarHBondContact O-N 3.42Å
72	V	67	Low	61	Low	57 Å²	57	109.3 Å²	109.3	35%	0.345	53%	0.532	S	S	.	.	H	α-helix	trans	-65.8	-40.6	177.9	172	0	0	0	0	111.4	V68 D69 K76	V68-V72 HydrophobicContact CG1-CG2 4.44Å; V68-V72 WeakPolarHBondContact O-CG2 3.12Å; V68-V72 PolarHBondContact O-N 3.22Å; D69-V72 PolarHBondContact O-N 2.9Å; V72-K76 WeakPolarHBondContact O-CG 3.32Å; V72-K76 PolarHBondContact O-N 3.09Å
73	E	65.8	Low	60.9	Low	105 Å²	105	110.5 Å²	110.5	49%	0.491	53%	0.534	S	S	.	.	H	α-helix	trans	-64.8	-45.4	174.8	-74.4	-152.1	96.5	0	0	112.5	D69 K70 R75 K76 K77	D69-E73 PolarHBondContact O-N 2.8Å; K70-E73 PolarHBondContact O-N 3.1Å; E73-R75 VanDerWaalsContact C-N 3.35Å; E73-K76 PolarHBondContact O-N 3.25Å; E73-K77 WeakPolarHBondContact O-CG 3.32Å; E73-K77 PolarHBondContact O-N 3.35Å
74	I	67.9	Low	61	Low	104 Å²	104	113.2 Å²	113.2	53%	0.533	55%	0.546	S	S	.	.	H	α-helix	trans	-61.8	-45.3	176.8	-67.5	165.2	0	0	0	109.9	K70 E71 K76 K77 V78	K70-I74 WeakPolarHBondContact O-CB 3.24Å; K70-I74 WeakPolarHBondContact O-CD1 3.25Å; K70-I74 WeakPolarHBondContact O-CG1 3.11Å; K70-I74 PolarHBondContact O-N 2.07Å; E71-I74 PolarHBondContact O-N 3.35Å; I74-K76 VanDerWaalsContact C-N 3.35Å; I74-K76 PolarHBondContact O-N 3.05Å; I74-K77 PolarHBondContact O-N 2.66Å; I74-K77 VanDerWaalsContact O-N 3.14Å; I74-V78 HydrophobicContact CG2-CG2 4.25Å; I74-V78 WeakPolarHBondContact O-CG2 3.09Å; I74-V78 PolarHBondContact O-N 2.86Å
75	R	67.4	Low	60.9	Low	189 Å²	189	114.4 Å²	114.4	71%	0.713	56%	0.556	S	S	*	*	H	α-helix	trans	-61.9	-40.2	-179.6	-164	172.2	-171	157.9	1.8	112.4	E71 E73 L79	E71-R75 WeakPolarHBondContact O-CB 3.12Å; E71-R75 PolarHBondContact O-N 3.42Å; E73-R75 VanDerWaalsContact C-N 3.35Å; R75-L79 HydrophobicContact CG-CD1 4.44Å; R75-L79 WeakPolarHBondContact O-CG 3.44Å; R75-L79 PolarHBondContact O-N 3.11Å; R75-L79 VanDerWaalsContact O-N 3.08Å
76	K	66.8	Low	61.1	Low	147 Å²	147	118 Å²	118	64%	0.639	57%	0.57	S	S	*	*	H	α-helix	trans	-66.2	-38.3	174.4	-77	179.7	-179	175.5	0	112.7	V72 E73 I74 K80	V72-K76 WeakPolarHBondContact O-CG 3.32Å; V72-K76 PolarHBondContact O-N 3.09Å; E73-K76 PolarHBondContact O-N 3.25Å; I74-K76 VanDerWaalsContact C-N 3.35Å; I74-K76 PolarHBondContact O-N 3.05Å; K76-K80 PolarHBondContact O-N 2.8Å
77	K	67.9	Low	60.8	Low	138 Å²	138	119.7 Å²	119.7	60%	0.6	57%	0.569	S	S	*	*	H	α-helix	trans	-65.5	-46.4	176	-76.5	176.6	-177.1	171.7	0	111.5	E73 I74 L79 K80 I81	E73-K77 WeakPolarHBondContact O-CG 3.32Å; E73-K77 PolarHBondContact O-N 3.35Å; I74-K77 PolarHBondContact O-N 2.66Å; I74-K77 VanDerWaalsContact O-N 3.14Å; K77-L79 PolarHBondContact O-N 3.4Å; K77-K80 PolarHBondContact O-N 3.25Å; K77-I81 WeakPolarHBondContact O-CG1 2.82Å; K77-I81 PolarHBondContact O-N 3Å; K77-I81 VanDerWaalsContact O-N 3.14Å
78	V	68.3	Low	60.4	Low	65 Å²	65	121 Å²	121	39%	0.394	58%	0.581	S	S	.	*	H	α-helix	trans	-61.1	-46.6	179.1	173.2	0	0	0	0	111.2	I74 K80 I81 F82	I74-V78 HydrophobicContact CG2-CG2 4.25Å; I74-V78 WeakPolarHBondContact O-CG2 3.09Å; I74-V78 PolarHBondContact O-N 2.86Å; V78-K80 VanDerWaalsContact C-N 3.32Å; V78-K80 PolarHBondContact O-N 3.46Å; V78-I81 PolarHBondContact O-N 2.87Å; V78-I81 VanDerWaalsContact O-N 3.13Å; V78-F82 HydrophobicContact CG1-CD2 3.63Å; V78-F82 HydrophobicContact CG1-CE2 3.64Å; V78-F82 WeakPolarHBondContact O-CD2 3.24Å; V78-F82 PolarHBondContact O-N 3.28Å
79	L	63.9	Low	60.1	Low	111 Å²	111	121.7 Å²	121.7	58%	0.581	60%	0.597	S	S	*	*	H	α-helix	trans	-60.1	-39	178.1	-77.2	166.9	0	0	0	113	R75 K77 Q83	R75-L79 HydrophobicContact CG-CD1 4.44Å; R75-L79 WeakPolarHBondContact O-CG 3.44Å; R75-L79 PolarHBondContact O-N 3.11Å; R75-L79 VanDerWaalsContact O-N 3.08Å; K77-L79 PolarHBondContact O-N 3.4Å; L79-Q83 WeakPolarHBondContact O-CB 2.95Å; L79-Q83 PolarHBondContact O-N 3.4Å
80	K	63.4	Low	59.5	Low	160 Å²	160	127.9 Å²	127.9	70%	0.696	62%	0.62	S	S	*	*	H	α-helix	trans	-64.7	-38	175.1	-93.1	-174.5	173.3	-178.3	0	112.9	K76 K77 V78 F84	K76-K80 PolarHBondContact O-N 2.8Å; K77-K80 PolarHBondContact O-N 3.25Å; V78-K80 VanDerWaalsContact C-N 3.32Å; V78-K80 PolarHBondContact O-N 3.46Å; K80-F84 PolarHBondContact O-N 2.91Å
81	I	60.3	Low	58.9	Low	116 Å²	116	124.8 Å²	124.8	60%	0.595	63%	0.626	S	S	*	*	H	α-helix	trans	-67.4	-46.3	178.6	-65.2	163.5	0	0	0	110.1	K77 V78 Q83 F84 D85	K77-I81 WeakPolarHBondContact O-CG1 2.82Å; K77-I81 PolarHBondContact O-N 3Å; K77-I81 VanDerWaalsContact O-N 3.14Å; V78-I81 PolarHBondContact O-N 2.87Å; V78-I81 VanDerWaalsContact O-N 3.13Å; I81-Q83 VanDerWaalsContact C-N 3.33Å; I81-Q83 PolarHBondContact O-N 2.81Å; I81-F84 PolarHBondContact O-N 3.13Å; I81-D85 PolarHBondContact O-N 3.11Å; I81-D85 VanDerWaalsContact O-N 3.08Å
82	F	57.9	Low	58.2	Low	145 Å²	145	128 Å²	128	64%	0.636	64%	0.641	S	S	*	*	H	α-helix	trans	-62.8	-37.2	176.9	-87	-78.7	0	0	0	113.3	V78 F84 D85 Q86	V78-F82 HydrophobicContact CG1-CD2 3.63Å; V78-F82 HydrophobicContact CG1-CE2 3.64Å; V78-F82 WeakPolarHBondContact O-CD2 3.24Å; V78-F82 PolarHBondContact O-N 3.28Å; F82-F84 VanDerWaalsContact C-N 3.31Å; F82-F84 PolarHBondContact O-N 3.21Å; F82-D85 PolarHBondContact O-N 3.39Å; F82-Q86 PolarHBondContact O-N 3.16Å
83	Q	56.3	Low	57	Low	147 Å²	147	137.9 Å²	137.9	69%	0.687	68%	0.683	S	S	*	*	H	α-helix	trans	-69.7	-29.5	177.9	-164.4	173.3	2.7	0	0	112.3	L79 I81	L79-Q83 WeakPolarHBondContact O-CB 2.95Å; L79-Q83 PolarHBondContact O-N 3.4Å; I81-Q83 VanDerWaalsContact C-N 3.33Å; I81-Q83 PolarHBondContact O-N 2.81Å
84	F	54.5	Low	56.6	Low	140 Å²	140	139.6 Å²	139.6	61%	0.614	69%	0.693	S	S	*	*	H	α-helix	trans	-79.1	-29.7	177.1	-150.7	-91.6	0	0	0	112.8	K80 I81 F82 Q87	K80-F84 PolarHBondContact O-N 2.91Å; I81-F84 PolarHBondContact O-N 3.13Å; F82-F84 VanDerWaalsContact C-N 3.31Å; F82-F84 PolarHBondContact O-N 3.21Å; F84-Q87 WeakPolarHBondContact O-CG 3.48Å
85	D	51.4	Low	56	Low	127 Å²	127	141.4 Å²	141.4	68%	0.679	70%	0.701	S	S	*	*	H	α-helix	trans	-72.3	-37.2	178.9	-156.5	-108.5	0	0	0	112.1	I81 F82 Q87 C88	I81-D85 PolarHBondContact O-N 3.11Å; I81-D85 VanDerWaalsContact O-N 3.08Å; F82-D85 PolarHBondContact O-N 3.39Å; D85-Q87 VanDerWaalsContact C-N 3.33Å; D85-Q87 PolarHBondContact O-N 3.44Å; D85-C88 PolarHBondContact O-N 3.45Å
86	Q	48.8	Very low	55.3	Low	163 Å²	163	138.8 Å²	138.8	76%	0.762	70%	0.701	S	S	*	*	H	α-helix	trans	-70.7	-24.2	-179.2	-170.7	167.5	75	0	0	113.9	F82	F82-Q86 PolarHBondContact O-N 3.16Å
87	Q	48.1	Very low	54.7	Low	131 Å²	131	138.3 Å²	138.3	61%	0.612	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-12	179.4	58.2	171.6	87.7	0	0	114.4	F84 D85	F84-Q87 WeakPolarHBondContact O-CG 3.48Å; D85-Q87 VanDerWaalsContact C-N 3.33Å; D85-Q87 PolarHBondContact O-N 3.44Å
88	C	48.2	Very low	53.8	Low	109 Å²	109	138.3 Å²	138.3	74%	0.736	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	0.3	175.5	-84.5	0	0	0	0	113.8	D85	D85-C88 PolarHBondContact O-N 3.45Å
89	G	52	Low	52.9	Low	59 Å²	59	143.2 Å²	143.2	61%	0.608	73%	0.732	S	S	*	*	S	Bend	trans	-109.6	14	-175.7	0	0	0	0	0	116.4
90	F	46.7	Very low	52.1	Low	210 Å²	210	145.5 Å²	145.5	92%	0.921	74%	0.743	S	S	*	*	S	Bend	trans	-131.8	49	177.9	-115.3	-87.2	0	0	0	111.5
91	G	51.1	Low	51.2	Low	69 Å²	69	144.4 Å²	144.4	71%	0.711	75%	0.747	S	S	*	*	S	Bend	trans	-135.9	17.6	178	0	0	0	0	0	114.1
92	E	47.8	Very low	50.5	Low	196 Å²	196	146.8 Å²	146.8	92%	0.916	76%	0.759	S	S	*	*			trans	-148.4	83.2	171	-66	-170.1	94.2	0	0	109.9
93	H	42.8	Very low	49.8	Very low	265 Å²	265	146.9 Å²	146.9	100%	1.227	77%	0.77	S	S	*	*			trans	-159.9	0	133.8	-155.9	-156.8	0	0	0	110.3

Retrieved 93 of 93 residues in 79.4 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).