G4V834_SCHMA Loading...

DET1- and DDB1-associated protein 1

AlphaFold DB , UniProt , Accession G4V834, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 75 aa.

						>G4V834_SCHMA|G4V834
MATYMHATPILPDPVWGQRGLHTDVRLIQMHMYESSSPLSSKLDFSEVDSLIHSHKLVITLSQHKTYLQARRKSA
					

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	47.6	Very low	55.2	Low	198 Å²	198	63.1 Å²	63.1	98%	0.975	33%	0.334	S	S	*	.				0	114.4	0	-169	159.7	157.7	0	0	106.5	E34	M1-E34 HydrophobicContact CE-CB 3.91Å; M1-E34 HydrophobicContact CE-CG 4.4Å
2	A	55.3	Low	54.8	Low	55 Å²	55	67.8 Å²	67.8	46%	0.455	37%	0.371	S	S	.	.			trans	-80.7	134.1	-172.9	0	0	0	0	0	110.8	Y4	A2-Y4 HydrophobicContact CB-CD2 4.32Å; A2-Y4 HydrophobicContact CB-CE2 3.43Å; A2-Y4 VanDerWaalsContact CB-CE2 3.43Å; A2-Y4 WeakPolarHBondContact CB-OH 3.14Å
3	T	51.4	Low	54.4	Low	11 Å²	11	65.6 Å²	65.6	7%	0.067	36%	0.359	C	S	.	.			trans	-96.9	125.9	176.3	-55.2	0	0	0	0	108.1	M32 F45 A70	T3-M32 HydrophobicContact CG2-CG 3.72Å; T3-M32 HydrophobicContact CG2-SD 3.89Å; T3-F45 WeakPolarHBondContact O-CE2 3.31Å; T3-A70 HydrophobicContact CG2-CB 3.92Å
4	Y	56.2	Low	54.2	Low	101 Å²	101	70.3 Å²	70.3	40%	0.396	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151.1	175.8	-59.5	-86.3	0	0	0	110.1	A2	A2-Y4 HydrophobicContact CB-CD2 4.32Å; A2-Y4 HydrophobicContact CB-CE2 3.43Å; A2-Y4 VanDerWaalsContact CB-CE2 3.43Å; A2-Y4 WeakPolarHBondContact CB-OH 3.14Å
5	M	55.9	Low	54	Low	6 Å²	6	66.7 Å²	66.7	3%	0.03	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.9	170	-96.9	-177.6	-74.2	0	0	111	M30 F45 Y67 A70	M5-M30 HydrophobicContact SD-SD 3.94Å; M5-F45 HydrophobicContact CE-CD1 3.32Å; M5-F45 HydrophobicContact CE-CE1 3.03Å; M5-F45 HydrophobicContact CE-CG 4.45Å; M5-F45 HydrophobicContact CE-CZ 3.98Å; M5-Y67 HydrophobicContact CE-CD2 2.97Å; M5-Y67 HydrophobicContact CE-CE2 3.32Å; M5-Y67 HydrophobicContact CE-CG 3.75Å; M5-Y67 VanDerWaalsContact SD-CA 3.5Å; M5-Y67 HydrophobicContact SD-CD2 3.39Å; M5-Y67 WeakPolarHBondContact SD-CD2 3.22Å; M5-Y67 HydrophobicContact SD-CE2 4.28Å; M5-Y67 HydrophobicContact SD-CG 3.97Å; M5-A70 HydrophobicContact CE-CB 4.02Å; M5-A70 HydrophobicContact CG-CB 4.25Å; M5-A70 HydrophobicContact SD-CB 4.4Å
6	H	60.4	Low	53.6	Low	33 Å²	33	66.7 Å²	66.7	15%	0.153	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.2	169.2	-173.6	-104.5	0	0	0	108.7	T8 M30 H31 Y33 S41	H6-T8 PolarHBondContact CE1-OG1 2.9Å; H6-T8 PolarHBondContact ND1-OG1 2.96Å; H6-M30 CarbonylContact O-C 3.58Å; H6-M30 WeakPolarHBondContact O-CA 3Å; H6-H31 PolarHBondContact N-O 3.26Å; H6-H31 PolarHBondContact O-N 3.11Å; H6-Y33 HydrophobicContact CB-CD2 3.51Å; H6-Y33 HydrophobicContact CB-CE2 3.6Å; H6-Y33 AromaticContact CG-CE2 3.92Å; H6-Y33 AromaticContact ND1-CE2 3.94Å; H6-S41 PolarHBondContact CD2-O 2.71Å
7	A	59.4	Low	53.4	Low	2 Å²	2	66.5 Å²	66.5	2%	0.017	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	112.3	177.1	0	0	0	0	0	107.8	W16 I28 L43	A7-W16 HydrophobicContact CB-CH2 4.36Å; A7-W16 HydrophobicContact CB-CZ2 4.32Å; A7-W16 VanDerWaalsContact O-CZ2 3.24Å; A7-W16 WeakPolarHBondContact O-CZ2 3.45Å; A7-I28 HydrophobicContact CB-CD1 4.19Å; A7-I28 HydrophobicContact CB-CG2 3.22Å; A7-L43 HydrophobicContact CB-CB 4.29Å; A7-L43 HydrophobicContact CB-CD1 3.42Å; A7-L43 VanDerWaalsContact CB-CD1 3.42Å; A7-L43 HydrophobicContact CB-CG 3.78Å
8	T	57.1	Low	52.9	Low	48 Å²	48	69.8 Å²	69.8	29%	0.294	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.6	172	-47.7	0	0	0	0	108.6	H6 I10 I28 Q29	H6-T8 PolarHBondContact CE1-OG1 2.9Å; H6-T8 PolarHBondContact ND1-OG1 2.96Å; T8-I10 PolarHBondContact O-N 3.14Å; T8-I28 CarbonylContact O-C 3.56Å; T8-I28 WeakPolarHBondContact O-CA 3.3Å; T8-Q29 PolarHBondContact N-O 2.9Å; T8-Q29 PolarHBondContact O-N 3.28Å
9	P	54.8	Low	52.7	Low	35 Å²	35	79.4 Å²	79.4	23%	0.227	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	133.3	173.4	29.5	-32.9	0	0	0	109.2	L11 W16 L27	P9-L11 VanDerWaalsContact CB-O 3.3Å; P9-L11 WeakPolarHBondContact CB-O 3.49Å; P9-W16 HydrophobicContact CB-CD2 4.12Å; P9-W16 HydrophobicContact CB-CE3 3.46Å; P9-W16 VanDerWaalsContact CB-CE3 3.46Å; P9-W16 HydrophobicContact CB-CH2 4.09Å; P9-W16 HydrophobicContact CB-CZ3 3.44Å; P9-W16 VanDerWaalsContact CB-CZ3 3.44Å; P9-W16 HydrophobicContact CG-CD2 3.62Å; P9-W16 HydrophobicContact CG-CE3 3.51Å; P9-W16 HydrophobicContact CG-CG 4.12Å; P9-W16 HydrophobicContact CG-CH2 4.26Å; P9-W16 HydrophobicContact CG-CZ2 4.4Å; P9-W16 HydrophobicContact CG-CZ3 3.85Å; P9-L27 WeakPolarHBondContact CA-O 3.46Å
10	I	56.5	Low	52.2	Low	88 Å²	88	78.3 Å²	78.3	45%	0.451	43%	0.432	S	S	.	.	S	Bend	trans	-76.7	-34.6	176.4	-68	168.7	0	0	0	110.1	T8 L27 Q29	T8-I10 PolarHBondContact O-N 3.14Å; I10-L27 HydrophobicContact CB-CB 4.44Å; I10-L27 HydrophobicContact CB-CD2 3.78Å; I10-L27 HydrophobicContact CB-CG 4.32Å; I10-L27 HydrophobicContact CD1-CD2 3.68Å; I10-L27 HydrophobicContact CD1-CG 3.93Å; I10-L27 HydrophobicContact CG1-CD2 4.29Å; I10-L27 HydrophobicContact CG2-CD2 3.8Å; I10-L27 PolarHBondContact N-O 3.07Å; I10-Q29 HydrophobicContact CD1-CB 4.13Å; I10-Q29 HydrophobicContact CG1-CB 3.83Å
11	L	52.1	Low	51.8	Low	117 Å²	117	79 Å²	79	61%	0.613	44%	0.435	S	S	*	.	S	Bend	trans	-89.8	139.7	170.4	-69.8	168.6	0	0	0	108.4	P9 D13	P9-L11 VanDerWaalsContact CB-O 3.3Å; P9-L11 WeakPolarHBondContact CB-O 3.49Å; L11-D13 PolarHBondContact O-N 3.45Å
12	P	50.5	Low	51.7	Low	120 Å²	120	77.9 Å²	77.9	78%	0.779	43%	0.427	S	S	*	.			trans	-65.2	85.8	166.1	29.1	-32.3	0	0	0	107.3	P14	P12-P14 WeakPolarHBondContact O-CD 3.2Å
13	D	50.5	Low	51.1	Low	39 Å²	39	79.5 Å²	79.5	21%	0.209	43%	0.431	C	S	.	.			trans	-75.7	109.5	165.6	-169.9	-21.6	0	0	0	105.6	L11 V15 W16	L11-D13 PolarHBondContact O-N 3.45Å; D13-V15 PolarHBondContact O-N 3.36Å; D13-V15 WeakPolarHBondContact OD1-CA 3.43Å; D13-V15 WeakPolarHBondContact OD1-CB 3.47Å; D13-V15 VanDerWaalsContact OD1-CG2 3.31Å; D13-V15 WeakPolarHBondContact OD1-CG2 3.24Å; D13-V15 PolarHBondContact OD1-N 3.05Å; D13-W16 PolarHBondContact O-N 2.91Å; D13-W16 VanDerWaalsContact O-N 3.14Å
14	P	51.5	Low	51.2	Low	131 Å²	131	82.2 Å²	82.2	85%	0.851	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-8.8	177.2	26.6	-33.7	0	0	0	112.3	P12	P12-P14 WeakPolarHBondContact O-CD 3.2Å
15	V	51.2	Low	50.8	Low	17 Å²	17	81.8 Å²	81.8	10%	0.103	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	17.8	-178.2	-157.8	0	0	0	0	112.6	D13 G17 Q18 L21	D13-V15 PolarHBondContact O-N 3.36Å; D13-V15 WeakPolarHBondContact OD1-CA 3.43Å; D13-V15 WeakPolarHBondContact OD1-CB 3.47Å; D13-V15 VanDerWaalsContact OD1-CG2 3.31Å; D13-V15 WeakPolarHBondContact OD1-CG2 3.24Å; D13-V15 PolarHBondContact OD1-N 3.05Å; V15-G17 PolarHBondContact O-N 3.05Å; V15-Q18 HydrophobicContact CG1-CB 3.51Å; V15-Q18 HydrophobicContact CG1-CG 3.89Å; V15-Q18 PolarHBondContact O-N 2.88Å; V15-L21 HydrophobicContact CB-CB 4.34Å; V15-L21 HydrophobicContact CB-CD1 4.13Å; V15-L21 HydrophobicContact CG1-CB 3.84Å; V15-L21 HydrophobicContact CG1-CD1 3.27Å; V15-L21 HydrophobicContact CG1-CG 4.06Å; V15-L21 HydrophobicContact CG2-CB 4.09Å; V15-L21 HydrophobicContact CG2-CD1 3.66Å; V15-L21 HydrophobicContact CG2-CD2 4.05Å; V15-L21 HydrophobicContact CG2-CG 4.09Å
16	W	47.7	Very low	50.8	Low	66 Å²	66	84.2 Å²	84.2	25%	0.25	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	107.6	175.1	-166.6	-99.7	0	0	0	111	A7 P9 D13 I28 S41	A7-W16 HydrophobicContact CB-CH2 4.36Å; A7-W16 HydrophobicContact CB-CZ2 4.32Å; A7-W16 VanDerWaalsContact O-CZ2 3.24Å; A7-W16 WeakPolarHBondContact O-CZ2 3.45Å; P9-W16 HydrophobicContact CB-CD2 4.12Å; P9-W16 HydrophobicContact CB-CE3 3.46Å; P9-W16 VanDerWaalsContact CB-CE3 3.46Å; P9-W16 HydrophobicContact CB-CH2 4.09Å; P9-W16 HydrophobicContact CB-CZ3 3.44Å; P9-W16 VanDerWaalsContact CB-CZ3 3.44Å; P9-W16 HydrophobicContact CG-CD2 3.62Å; P9-W16 HydrophobicContact CG-CE3 3.51Å; P9-W16 HydrophobicContact CG-CG 4.12Å; P9-W16 HydrophobicContact CG-CH2 4.26Å; P9-W16 HydrophobicContact CG-CZ2 4.4Å; P9-W16 HydrophobicContact CG-CZ3 3.85Å; D13-W16 PolarHBondContact O-N 2.91Å; D13-W16 VanDerWaalsContact O-N 3.14Å; W16-I28 HydrophobicContact CH2-CD1 3.76Å; W16-I28 HydrophobicContact CH2-CG1 3.87Å; W16-I28 HydrophobicContact CZ3-CD1 4.24Å; W16-I28 HydrophobicContact CZ3-CG1 4.13Å; W16-S41 PolarHBondContact NE1-OG 3.3Å; W16-S41 VanDerWaalsContact NE1-OG 3.13Å
17	G	49	Very low	50.4	Low	63 Å²	63	86 Å²	86	65%	0.649	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.1	-8.2	-178.4	0	0	0	0	0	116.3	V15	V15-G17 PolarHBondContact O-N 3.05Å
18	Q	45.7	Very low	50.4	Low	126 Å²	126	85.9 Å²	85.9	59%	0.589	47%	0.471	S	S	*	.			trans	-86.7	124.5	169.6	-46	-156.8	-9.3	0	0	110.6	V15 G20	V15-Q18 HydrophobicContact CG1-CB 3.51Å; V15-Q18 HydrophobicContact CG1-CG 3.89Å; V15-Q18 PolarHBondContact O-N 2.88Å; Q18-G20 PolarHBondContact O-N 3.36Å
19	R	48.3	Very low	50.5	Low	253 Å²	253	87.4 Å²	87.4	96%	0.955	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	25.1	177.3	-70.1	-175.5	172.7	-173.6	-2.8	113.5
20	G	43.1	Very low	50.8	Low	56 Å²	56	86.2 Å²	86.2	58%	0.577	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.1	-17	-161.1	0	0	0	0	0	118.8	Q18	Q18-G20 PolarHBondContact O-N 3.36Å
21	L	43.9	Very low	50.8	Low	93 Å²	93	84.9 Å²	84.9	49%	0.487	46%	0.458	S	S	.	.			trans	-98.1	126.6	179.8	-77.2	97.8	0	0	0	114.7	V15 T23	V15-L21 HydrophobicContact CB-CB 4.34Å; V15-L21 HydrophobicContact CB-CD1 4.13Å; V15-L21 HydrophobicContact CG1-CB 3.84Å; V15-L21 HydrophobicContact CG1-CD1 3.27Å; V15-L21 HydrophobicContact CG1-CG 4.06Å; V15-L21 HydrophobicContact CG2-CB 4.09Å; V15-L21 HydrophobicContact CG2-CD1 3.66Å; V15-L21 HydrophobicContact CG2-CD2 4.05Å; V15-L21 HydrophobicContact CG2-CG 4.09Å; L21-T23 PolarHBondContact O-N 2.88Å
22	H	44.1	Very low	50.8	Low	175 Å²	175	82.3 Å²	82.3	81%	0.81	44%	0.444	S	S	*	.			trans	-70.3	23.5	-176.2	-116.7	-90.4	0	0	0	115.1	D24	H22-D24 PolarHBondContact O-N 2.68Å
23	T	44.1	Very low	51	Low	90 Å²	90	82.3 Å²	82.3	55%	0.552	43%	0.429	S	S	*	.			trans	-98.2	79.8	168.1	43.5	0	0	0	0	107.4	L21 V25	L21-T23 PolarHBondContact O-N 2.88Å; T23-V25 PolarHBondContact O-N 3.45Å
24	D	53.8	Low	50.6	Low	68 Å²	68	85.9 Å²	85.9	36%	0.364	45%	0.445	S	S	.	.			trans	-66.9	-12.3	-160.1	-88.9	-28.5	0	0	0	114.9	H22 K56	H22-D24 PolarHBondContact O-N 2.68Å; D24-K56 HydrophobicContact CB-CD 4.07Å; D24-K56 HydrophobicContact CB-CG 4.03Å; D24-K56 CarbonylContact O-C 3.37Å; D24-K56 WeakPolarHBondContact O-CA 3.26Å; D24-K56 WeakPolarHBondContact O-CB 3.43Å; D24-K56 VanDerWaalsContact O-CG 3.3Å; D24-K56 WeakPolarHBondContact O-CG 3.48Å; D24-K56 WeakPolarHBondContact OD1-CD 3.3Å; D24-K56 WeakPolarHBondContact OD1-CE 3.33Å; D24-K56 IonicContact OD1-NZ 2.68Å; D24-K56 PolarHBondContact OD1-NZ 3.13Å; D24-K56 IonicContact OD2-NZ 2.84Å; D24-K56 PolarHBondContact OD2-NZ 2.72Å
25	V	46.4	Very low	50.5	Low	92 Å²	92	83 Å²	83	56%	0.558	43%	0.427	S	S	*	.			trans	-99.6	105.2	-177.6	-177.1	0	0	0	0	110.8	T23 V58	T23-V25 PolarHBondContact O-N 3.45Å; V25-V58 HydrophobicContact CG1-CB 4.14Å; V25-V58 HydrophobicContact CG1-CG2 3.41Å; V25-V58 VanDerWaalsContact CG1-CG2 3.41Å
26	R	56.8	Low	50.3	Low	57 Å²	57	88.1 Å²	88.1	22%	0.215	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.4	174.7	-62.2	-178.2	179.9	-169.7	-1.5	109.9	I28 K56 V58	R26-I28 HydrophobicContact CB-CD1 4.2Å; R26-I28 HydrophobicContact CB-CG1 4Å; R26-I28 PolarHBondContact O-N 3.22Å; R26-K56 PolarHBondContact N-O 3.03Å; R26-V58 PolarHBondContact O-N 3Å
27	L	52.3	Low	50.1	Low	69 Å²	69	88.3 Å²	88.3	36%	0.361	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	105.5	169.9	-155.2	84.4	0	0	0	108.3	P9 I10 V58	P9-L27 WeakPolarHBondContact CA-O 3.46Å; I10-L27 HydrophobicContact CB-CB 4.44Å; I10-L27 HydrophobicContact CB-CD2 3.78Å; I10-L27 HydrophobicContact CB-CG 4.32Å; I10-L27 HydrophobicContact CD1-CD2 3.68Å; I10-L27 HydrophobicContact CD1-CG 3.93Å; I10-L27 HydrophobicContact CG1-CD2 4.29Å; I10-L27 HydrophobicContact CG2-CD2 3.8Å; I10-L27 PolarHBondContact N-O 3.07Å; L27-V58 HydrophobicContact CD1-CB 3.96Å; L27-V58 HydrophobicContact CD1-CG1 3.66Å
28	I	58.7	Low	49.9	Very low	0 Å²	0	90.9 Å²	90.9	0%	0	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.8	-174.7	-58.8	-175.8	0	0	0	109.9	A7 T8 W16 R26 M30 L43 L51 L57 Q63	A7-I28 HydrophobicContact CB-CD1 4.19Å; A7-I28 HydrophobicContact CB-CG2 3.22Å; T8-I28 CarbonylContact O-C 3.56Å; T8-I28 WeakPolarHBondContact O-CA 3.3Å; W16-I28 HydrophobicContact CH2-CD1 3.76Å; W16-I28 HydrophobicContact CH2-CG1 3.87Å; W16-I28 HydrophobicContact CZ3-CD1 4.24Å; W16-I28 HydrophobicContact CZ3-CG1 4.13Å; R26-I28 HydrophobicContact CB-CD1 4.2Å; R26-I28 HydrophobicContact CB-CG1 4Å; R26-I28 PolarHBondContact O-N 3.22Å; I28-M30 HydrophobicContact CG2-CG 4.2Å; I28-L43 HydrophobicContact CD1-CD1 3.81Å; I28-L51 HydrophobicContact CD1-CD1 4.38Å; I28-L57 HydrophobicContact CB-CD1 3.66Å; I28-L57 HydrophobicContact CD1-CD1 3.54Å; I28-L57 HydrophobicContact CG1-CD1 3.58Å; I28-Q63 PolarHBondContact O-NE2 3.42Å; I28-Q63 PolarHBondContact O-OE1 2.84Å
29	Q	60.2	Low	50	Low	81 Å²	81	90.2 Å²	90.2	38%	0.379	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	110.6	161	-159	176.6	14.4	0	0	110	T8 I10 H31	T8-Q29 PolarHBondContact N-O 2.9Å; T8-Q29 PolarHBondContact O-N 3.28Å; I10-Q29 HydrophobicContact CD1-CB 4.13Å; I10-Q29 HydrophobicContact CG1-CB 3.83Å; Q29-H31 VanDerWaalsContact CD-CE1 3.42Å; Q29-H31 VanDerWaalsContact CG-NE2 3.35Å; Q29-H31 WeakPolarHBondContact CG-NE2 3.47Å; Q29-H31 PolarHBondContact NE2-CE1 3.35Å; Q29-H31 VanDerWaalsContact NE2-CE1 3.26Å; Q29-H31 PolarHBondContact NE2-NE2 3.13Å; Q29-H31 PolarHBondContact OE1-NE2 2.93Å; Q29-H31 VanDerWaalsContact OE1-NE2 3.13Å
30	M	59.8	Low	49.9	Very low	10 Å²	10	84 Å²	84	5%	0.049	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.4	173.4	-68.3	-177.7	179.9	0	0	110.4	M5 H6 I28 V48 L57 I59 Q63 Y67	M5-M30 HydrophobicContact SD-SD 3.94Å; H6-M30 CarbonylContact O-C 3.58Å; H6-M30 WeakPolarHBondContact O-CA 3Å; I28-M30 HydrophobicContact CG2-CG 4.2Å; M30-V48 HydrophobicContact CE-CB 4.4Å; M30-V48 HydrophobicContact CE-CG1 3.26Å; M30-V48 HydrophobicContact CE-CG2 4.24Å; M30-V48 HydrophobicContact SD-CG1 4.36Å; M30-L57 HydrophobicContact CE-CD1 4.42Å; M30-L57 HydrophobicContact CE-CD2 3.37Å; M30-L57 HydrophobicContact CE-CG 4.36Å; M30-I59 HydrophobicContact CE-CD1 4.43Å; M30-I59 HydrophobicContact CE-CG2 3.69Å; M30-I59 HydrophobicContact CG-CG2 4.44Å; M30-I59 HydrophobicContact SD-CG2 4.08Å; M30-Q63 HydrophobicContact CB-CB 4.34Å; M30-Q63 HydrophobicContact CB-CG 4.4Å; M30-Y67 HydrophobicContact CE-CD2 4.47Å; M30-Y67 HydrophobicContact SD-CD2 4.11Å; M30-Y67 HydrophobicContact SD-CG 4.45Å
31	H	58	Low	50.3	Low	59 Å²	59	83.1 Å²	83.1	27%	0.273	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.9	171.8	-67	-75.2	0	0	0	109.5	H6 Q29 Y33	H6-H31 PolarHBondContact N-O 3.26Å; H6-H31 PolarHBondContact O-N 3.11Å; Q29-H31 VanDerWaalsContact CD-CE1 3.42Å; Q29-H31 VanDerWaalsContact CG-NE2 3.35Å; Q29-H31 WeakPolarHBondContact CG-NE2 3.47Å; Q29-H31 PolarHBondContact NE2-CE1 3.35Å; Q29-H31 VanDerWaalsContact NE2-CE1 3.26Å; Q29-H31 PolarHBondContact NE2-NE2 3.13Å; Q29-H31 PolarHBondContact OE1-NE2 2.93Å; Q29-H31 VanDerWaalsContact OE1-NE2 3.13Å; H31-Y33 HydrophobicContact CB-CD2 3.99Å; H31-Y33 HydrophobicContact CB-CE2 3.42Å; H31-Y33 VanDerWaalsContact CB-CE2 3.42Å
32	M	52	Low	51	Low	64 Å²	64	82.7 Å²	82.7	32%	0.315	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	115.6	170.1	-168	-176	88.5	0	0	107.7	T3 E34 T66 A70	T3-M32 HydrophobicContact CG2-CG 3.72Å; T3-M32 HydrophobicContact CG2-SD 3.89Å; M32-E34 HydrophobicContact CE-CG 4.43Å; M32-T66 HydrophobicContact CB-CG2 4.05Å; M32-A70 HydrophobicContact CG-CB 4.33Å; M32-A70 HydrophobicContact SD-CB 4.23Å
33	Y	53.8	Low	51.8	Low	119 Å²	119	75.5 Å²	75.5	47%	0.467	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.6	171.7	-67.8	-80.9	0	0	0	109.5	H6 H31 S35	H6-Y33 HydrophobicContact CB-CD2 3.51Å; H6-Y33 HydrophobicContact CB-CE2 3.6Å; H6-Y33 AromaticContact CG-CE2 3.92Å; H6-Y33 AromaticContact ND1-CE2 3.94Å; H31-Y33 HydrophobicContact CB-CD2 3.99Å; H31-Y33 HydrophobicContact CB-CE2 3.42Å; H31-Y33 VanDerWaalsContact CB-CE2 3.42Å; Y33-S35 PolarHBondContact O-N 3.33Å
34	E	43.1	Very low	53	Low	114 Å²	114	75.3 Å²	75.3	53%	0.533	42%	0.418	S	S	.	.			trans	-84.9	82.3	162.6	-70.2	-176	167.2	0	0	107.5	M1 M32	M1-E34 HydrophobicContact CE-CB 3.91Å; M1-E34 HydrophobicContact CE-CG 4.4Å; M32-E34 HydrophobicContact CE-CG 4.43Å
35	S	48.9	Very low	53.9	Low	70 Å²	70	73.7 Å²	73.7	49%	0.49	41%	0.408	S	S	.	.			trans	-159.3	144.2	175.8	-160.5	0	0	0	0	115.9	Y33 S37	Y33-S35 PolarHBondContact O-N 3.33Å; S35-S37 PolarHBondContact O-N 3.05Å; S35-S37 VanDerWaalsContact O-N 3.16Å
36	S	46	Very low	55.2	Low	126 Å²	126	73.3 Å²	73.3	88%	0.881	41%	0.41	S	S	*	.			trans	-68.7	5.3	175.2	-35.5	0	0	0	0	114.8
37	S	44.6	Very low	55.9	Low	69 Å²	69	74.6 Å²	74.6	48%	0.483	42%	0.418	S	S	.	.			trans	-87.6	129.5	-176.2	-73.1	0	0	0	0	112.5	S35 L39	S35-S37 PolarHBondContact O-N 3.05Å; S35-S37 VanDerWaalsContact O-N 3.16Å; S37-L39 PolarHBondContact O-N 2.97Å
38	P	44.1	Very low	56.9	Low	118 Å²	118	71.4 Å²	71.4	77%	0.766	40%	0.402	S	S	*	.			trans	-80.8	78.4	174.7	32.8	-32.8	0	0	0	110.4
39	L	48.6	Very low	57.8	Low	111 Å²	111	73.5 Å²	73.5	58%	0.581	41%	0.413	S	S	*	.			trans	-77.5	132.8	164.8	-86.7	150.3	0	0	0	109.8	S37 S41	S37-L39 PolarHBondContact O-N 2.97Å; L39-S41 PolarHBondContact O-N 2.85Å
40	S	46.5	Very low	58.5	Low	123 Å²	123	73.3 Å²	73.3	86%	0.86	42%	0.42	S	S	*	.	S	Bend	trans	-69	19.5	-161.3	-171	0	0	0	0	116.8
41	S	51.6	Low	59.3	Low	37 Å²	37	74.1 Å²	74.1	26%	0.259	42%	0.424	S	S	.	.			trans	-147.9	56.3	179.5	-64.9	0	0	0	0	111.2	H6 W16 L39 L43	H6-S41 PolarHBondContact CD2-O 2.71Å; W16-S41 PolarHBondContact NE1-OG 3.3Å; W16-S41 VanDerWaalsContact NE1-OG 3.13Å; L39-S41 PolarHBondContact O-N 2.85Å; S41-L43 PolarHBondContact O-N 2.9Å
42	K	58.1	Low	60	Low	84 Å²	84	73.8 Å²	73.8	37%	0.365	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-78.1	113.3	168.2	-64.1	-177.7	-177.2	-175.9	0	107.2
43	L	61.1	Low	61.1	Low	24 Å²	24	78.2 Å²	78.2	13%	0.126	44%	0.444	C	S	.	.			trans	-85.5	121.8	159	-66.7	-179.3	0	0	0	106.2	A7 I28 S41 E47 V48 L51	A7-L43 HydrophobicContact CB-CB 4.29Å; A7-L43 HydrophobicContact CB-CD1 3.42Å; A7-L43 VanDerWaalsContact CB-CD1 3.42Å; A7-L43 HydrophobicContact CB-CG 3.78Å; I28-L43 HydrophobicContact CD1-CD1 3.81Å; S41-L43 PolarHBondContact O-N 2.9Å; L43-E47 HydrophobicContact CB-CB 4.39Å; L43-E47 HydrophobicContact CD2-CB 4.34Å; L43-E47 WeakPolarHBondContact CD2-OE2 3Å; L43-V48 HydrophobicContact CB-CG2 3.7Å; L43-V48 HydrophobicContact CD1-CG2 4.23Å; L43-L51 HydrophobicContact CD1-CD1 3.84Å
44	D	69.2	Low	62.1	Low	86 Å²	86	75 Å²	75	46%	0.46	44%	0.439	S	S	.	.			trans	-66.6	158.6	171.5	-73.2	-38.9	0	0	0	110.4	S46 E47 V48	D44-S46 PolarHBondContact O-N 3.37Å; D44-S46 VanDerWaalsContact O-N 3.13Å; D44-E47 HydrophobicContact CB-CG 4.49Å; D44-E47 WeakPolarHBondContact O-CB 3.49Å; D44-E47 PolarHBondContact O-N 3.5Å; D44-V48 PolarHBondContact O-N 3.06Å
45	F	71.9	Confident	63.4	Low	34 Å²	34	77.1 Å²	77.1	15%	0.149	45%	0.449	C	S	.	.	H	α-helix	trans	-52.9	-37.9	179.5	-72.4	-80.2	0	0	0	112.7	T3 M5 V48 D49 Y67 A70 R71	T3-F45 WeakPolarHBondContact O-CE2 3.31Å; M5-F45 HydrophobicContact CE-CD1 3.32Å; M5-F45 HydrophobicContact CE-CE1 3.03Å; M5-F45 HydrophobicContact CE-CG 4.45Å; M5-F45 HydrophobicContact CE-CZ 3.98Å; F45-V48 PolarHBondContact O-N 3.19Å; F45-D49 WeakPolarHBondContact O-CB 3.35Å; F45-D49 PolarHBondContact O-N 3.4Å; F45-Y67 AromaticContact CD1-CE2 3.96Å; F45-Y67 HydrophobicContact CD1-CE2 3.96Å; F45-A70 HydrophobicContact CE1-CB 3.99Å; F45-A70 HydrophobicContact CZ-CB 4.03Å; F45-R71 HydrophobicContact CD1-CB 3.95Å; F45-R71 HydrophobicContact CD1-CG 4.12Å; F45-R71 HydrophobicContact CE1-CB 3.71Å; F45-R71 HydrophobicContact CE1-CG 4.3Å; F45-R71 VanDerWaalsContact CE1-N 3.34Å
46	S	74	Confident	64.3	Low	85 Å²	85	77.1 Å²	77.1	59%	0.594	44%	0.44	S	S	*	.	H	α-helix	trans	-66.6	-34.9	177.8	-52.4	0	0	0	0	113.2	D44 S50	D44-S46 PolarHBondContact O-N 3.37Å; D44-S46 VanDerWaalsContact O-N 3.13Å; S46-S50 WeakPolarHBondContact O-CB 3.35Å; S46-S50 PolarHBondContact O-N 3.22Å; S46-S50 PolarHBondContact O-OG 3.34Å
47	E	72.2	Confident	65.4	Low	84 Å²	84	71.8 Å²	71.8	39%	0.393	40%	0.401	S	S	.	.	H	α-helix	trans	-71.5	-43.7	176	-63.7	-171.1	169	0	0	110.3	L43 D44 D49 S50 L51	L43-E47 HydrophobicContact CB-CB 4.39Å; L43-E47 HydrophobicContact CD2-CB 4.34Å; L43-E47 WeakPolarHBondContact CD2-OE2 3Å; D44-E47 HydrophobicContact CB-CG 4.49Å; D44-E47 WeakPolarHBondContact O-CB 3.49Å; D44-E47 PolarHBondContact O-N 3.5Å; E47-D49 VanDerWaalsContact C-N 3.33Å; E47-D49 PolarHBondContact O-N 3.42Å; E47-S50 WeakPolarHBondContact O-CB 3.22Å; E47-S50 PolarHBondContact O-N 2.96Å; E47-L51 VanDerWaalsContact O-CG 3.32Å; E47-L51 WeakPolarHBondContact O-CG 3.49Å; E47-L51 PolarHBondContact O-N 2.65Å
48	V	72.4	Confident	66.6	Low	2 Å²	2	72 Å²	72	1%	0.012	40%	0.399	C	S	.	.	H	α-helix	trans	-60.6	-44.1	174.6	177.9	0	0	0	0	111	M30 L43 D44 F45 S50 L51 I52 L57 Y67	M30-V48 HydrophobicContact CE-CB 4.4Å; M30-V48 HydrophobicContact CE-CG1 3.26Å; M30-V48 HydrophobicContact CE-CG2 4.24Å; M30-V48 HydrophobicContact SD-CG1 4.36Å; L43-V48 HydrophobicContact CB-CG2 3.7Å; L43-V48 HydrophobicContact CD1-CG2 4.23Å; D44-V48 PolarHBondContact O-N 3.06Å; F45-V48 PolarHBondContact O-N 3.19Å; V48-S50 VanDerWaalsContact C-N 3.32Å; V48-S50 PolarHBondContact O-N 3.46Å; V48-L51 PolarHBondContact O-N 3.43Å; V48-I52 HydrophobicContact CG1-CD1 3.9Å; V48-I52 HydrophobicContact CG1-CG1 4.33Å; V48-I52 WeakPolarHBondContact O-CG1 3.08Å; V48-I52 PolarHBondContact O-N 3.32Å; V48-L57 HydrophobicContact CG1-CD2 3.88Å; V48-Y67 HydrophobicContact CB-CD2 4.27Å; V48-Y67 HydrophobicContact CB-CE2 3.71Å; V48-Y67 HydrophobicContact CG1-CD2 3.46Å; V48-Y67 VanDerWaalsContact CG1-CD2 3.46Å; V48-Y67 HydrophobicContact CG1-CE2 3.27Å; V48-Y67 HydrophobicContact CG2-CE2 4.48Å
49	D	77.3	Confident	67.8	Low	44 Å²	44	68 Å²	68	24%	0.235	37%	0.371	C	S	.	.	H	α-helix	trans	-57.3	-45.8	174.6	-84.9	-26.4	0	0	0	112.2	F45 E47 L51 I52 H53 Y67 R71	F45-D49 WeakPolarHBondContact O-CB 3.35Å; F45-D49 PolarHBondContact O-N 3.4Å; E47-D49 VanDerWaalsContact C-N 3.33Å; E47-D49 PolarHBondContact O-N 3.42Å; D49-L51 VanDerWaalsContact C-N 3.28Å; D49-L51 PolarHBondContact O-N 2.92Å; D49-I52 PolarHBondContact O-N 2.89Å; D49-H53 VanDerWaalsContact O-CB 3.28Å; D49-H53 WeakPolarHBondContact O-CB 3.32Å; D49-H53 PolarHBondContact O-N 3.12Å; D49-Y67 VanDerWaalsContact CG-OH 3.3Å; D49-Y67 PolarHBondContact OD1-OH 3.02Å; D49-R71 IonicContact OD1-CZ 2.68Å; D49-R71 IonicContact OD1-NH1 3.97Å; D49-R71 PolarHBondContact OD1-NH1 2.75Å; D49-R71 IonicContact OD1-NH2 3.68Å; D49-R71 IonicContact OD2-CZ 3.36Å; D49-R71 IonicContact OD2-NH1 2.7Å; D49-R71 PolarHBondContact OD2-NH1 3.2Å; D49-R71 IonicContact OD2-NH2 3.04Å; D49-R71 PolarHBondContact OD2-NH2 3.18Å
50	S	75.7	Confident	69	Low	76 Å²	76	66 Å²	66	53%	0.531	36%	0.364	S	S	.	.	H	α-helix	trans	-62.2	-38.9	178.9	-59.8	0	0	0	0	111.1	S46 E47 V48 S54	S46-S50 WeakPolarHBondContact O-CB 3.35Å; S46-S50 PolarHBondContact O-N 3.22Å; S46-S50 PolarHBondContact O-OG 3.34Å; E47-S50 WeakPolarHBondContact O-CB 3.22Å; E47-S50 PolarHBondContact O-N 2.96Å; V48-S50 VanDerWaalsContact C-N 3.32Å; V48-S50 PolarHBondContact O-N 3.46Å; S50-S54 VanDerWaalsContact O-CB 3.26Å; S50-S54 WeakPolarHBondContact O-CB 3.49Å; S50-S54 PolarHBondContact O-N 3.26Å; S50-S54 PolarHBondContact O-OG 3.02Å
51	L	75.4	Confident	70.2	Confident	27 Å²	27	67.6 Å²	67.6	14%	0.141	36%	0.362	C	S	.	.	H	α-helix	trans	-71.7	-39	177.8	-66.5	171.1	0	0	0	112.8	I28 L43 E47 V48 D49 S54 H55 K56 L57	I28-L51 HydrophobicContact CD1-CD1 4.38Å; L43-L51 HydrophobicContact CD1-CD1 3.84Å; E47-L51 VanDerWaalsContact O-CG 3.32Å; E47-L51 WeakPolarHBondContact O-CG 3.49Å; E47-L51 PolarHBondContact O-N 2.65Å; V48-L51 PolarHBondContact O-N 3.43Å; D49-L51 VanDerWaalsContact C-N 3.28Å; D49-L51 PolarHBondContact O-N 2.92Å; L51-S54 WeakPolarHBondContact CA-OG 3.43Å; L51-S54 PolarHBondContact O-OG 3.32Å; L51-H55 PolarHBondContact O-N 3.1Å; L51-K56 HydrophobicContact CD2-CB 3.96Å; L51-K56 PolarHBondContact O-N 2.96Å; L51-L57 HydrophobicContact CB-CB 3.65Å; L51-L57 HydrophobicContact CB-CD2 4.07Å; L51-L57 HydrophobicContact CB-CG 4.49Å; L51-L57 PolarHBondContact O-N 2.92Å
52	I	73.4	Confident	71.3	Confident	53 Å²	53	69.6 Å²	69.6	27%	0.272	38%	0.376	S	S	.	.	H	α-helix	trans	-62.6	-49.1	173.2	-67.2	171.4	0	0	0	109.5	V48 D49 S54 H55 L57 I59 Y67	V48-I52 HydrophobicContact CG1-CD1 3.9Å; V48-I52 HydrophobicContact CG1-CG1 4.33Å; V48-I52 WeakPolarHBondContact O-CG1 3.08Å; V48-I52 PolarHBondContact O-N 3.32Å; D49-I52 PolarHBondContact O-N 2.89Å; I52-S54 VanDerWaalsContact C-N 3.35Å; I52-S54 PolarHBondContact O-N 3.17Å; I52-H55 PolarHBondContact O-N 3.33Å; I52-H55 VanDerWaalsContact O-N 3.1Å; I52-L57 HydrophobicContact CD1-CD2 4.43Å; I52-L57 HydrophobicContact CG1-CD2 3.68Å; I52-L57 HydrophobicContact CG1-CG 4.38Å; I52-I59 HydrophobicContact CD1-CD1 4.04Å; I52-I59 HydrophobicContact CG1-CD1 4.38Å; I52-Y67 HydrophobicContact CD1-CE1 4.48Å
53	H	74.9	Confident	71.9	Confident	156 Å²	156	66.6 Å²	66.6	72%	0.722	36%	0.363	S	S	*	.	H	α-helix	trans	-63.6	-39.2	-178.4	-174.6	70.6	0	0	0	112.7	D49 H55	D49-H53 VanDerWaalsContact O-CB 3.28Å; D49-H53 WeakPolarHBondContact O-CB 3.32Å; D49-H53 PolarHBondContact O-N 3.12Å; H53-H55 PolarHBondContact O-N 3.12Å; H53-H55 PolarHBondContact O-ND1 3.24Å; H53-H55 VanDerWaalsContact O-ND1 3.12Å
54	S	74.6	Confident	72.4	Confident	53 Å²	53	68.8 Å²	68.8	37%	0.371	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	3.7	177.1	57.4	0	0	0	0	113.9	S50 L51 I52 K56	S50-S54 VanDerWaalsContact O-CB 3.26Å; S50-S54 WeakPolarHBondContact O-CB 3.49Å; S50-S54 PolarHBondContact O-N 3.26Å; S50-S54 PolarHBondContact O-OG 3.02Å; L51-S54 WeakPolarHBondContact CA-OG 3.43Å; L51-S54 PolarHBondContact O-OG 3.32Å; I52-S54 VanDerWaalsContact C-N 3.35Å; I52-S54 PolarHBondContact O-N 3.17Å; S54-K56 WeakPolarHBondContact O-CG 3.42Å; S54-K56 PolarHBondContact O-N 3.45Å; S54-K56 VanDerWaalsContact O-N 3.11Å; S54-K56 WeakPolarHBondContact OG-CB 3.48Å; S54-K56 WeakPolarHBondContact OG-CG 3.39Å
55	H	70.3	Confident	72.8	Confident	158 Å²	158	71.2 Å²	71.2	73%	0.731	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	21.4	-174.8	-57.5	74.6	0	0	0	113.2	L51 I52 H53 L57	L51-H55 PolarHBondContact O-N 3.1Å; I52-H55 PolarHBondContact O-N 3.33Å; I52-H55 VanDerWaalsContact O-N 3.1Å; H53-H55 PolarHBondContact O-N 3.12Å; H53-H55 PolarHBondContact O-ND1 3.24Å; H53-H55 VanDerWaalsContact O-ND1 3.12Å; H55-L57 VanDerWaalsContact C-N 3.31Å
56	K	69.4	Low	72.9	Confident	70 Å²	70	71.6 Å²	71.6	30%	0.304	38%	0.384	S	S	.	.			trans	-89	-1.9	-179.3	-67.9	-162.6	-176.2	-160.5	0	113.3	D24 R26 L51 S54	D24-K56 HydrophobicContact CB-CD 4.07Å; D24-K56 HydrophobicContact CB-CG 4.03Å; D24-K56 CarbonylContact O-C 3.37Å; D24-K56 WeakPolarHBondContact O-CA 3.26Å; D24-K56 WeakPolarHBondContact O-CB 3.43Å; D24-K56 VanDerWaalsContact O-CG 3.3Å; D24-K56 WeakPolarHBondContact O-CG 3.48Å; D24-K56 WeakPolarHBondContact OD1-CD 3.3Å; D24-K56 WeakPolarHBondContact OD1-CE 3.33Å; D24-K56 IonicContact OD1-NZ 2.68Å; D24-K56 PolarHBondContact OD1-NZ 3.13Å; D24-K56 IonicContact OD2-NZ 2.84Å; D24-K56 PolarHBondContact OD2-NZ 2.72Å; R26-K56 PolarHBondContact N-O 3.03Å; L51-K56 HydrophobicContact CD2-CB 3.96Å; L51-K56 PolarHBondContact O-N 2.96Å; S54-K56 WeakPolarHBondContact O-CG 3.42Å; S54-K56 PolarHBondContact O-N 3.45Å; S54-K56 VanDerWaalsContact O-N 3.11Å; S54-K56 WeakPolarHBondContact OG-CB 3.48Å; S54-K56 WeakPolarHBondContact OG-CG 3.39Å
57	L	69.1	Low	72.9	Confident	14 Å²	14	67.7 Å²	67.7	7%	0.073	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	116.4	-177.8	172.2	58.1	0	0	0	110.1	I28 M30 V48 L51 I52 H55 I59	I28-L57 HydrophobicContact CB-CD1 3.66Å; I28-L57 HydrophobicContact CD1-CD1 3.54Å; I28-L57 HydrophobicContact CG1-CD1 3.58Å; M30-L57 HydrophobicContact CE-CD1 4.42Å; M30-L57 HydrophobicContact CE-CD2 3.37Å; M30-L57 HydrophobicContact CE-CG 4.36Å; V48-L57 HydrophobicContact CG1-CD2 3.88Å; L51-L57 HydrophobicContact CB-CB 3.65Å; L51-L57 HydrophobicContact CB-CD2 4.07Å; L51-L57 HydrophobicContact CB-CG 4.49Å; L51-L57 PolarHBondContact O-N 2.92Å; I52-L57 HydrophobicContact CD1-CD2 4.43Å; I52-L57 HydrophobicContact CG1-CD2 3.68Å; I52-L57 HydrophobicContact CG1-CG 4.38Å; H55-L57 VanDerWaalsContact C-N 3.31Å; L57-I59 HydrophobicContact CD1-CG2 3.63Å; L57-I59 HydrophobicContact CD2-CG2 4.11Å; L57-I59 HydrophobicContact CG-CG2 3.76Å
58	V	68	Low	73.2	Confident	72 Å²	72	67.2 Å²	67.2	44%	0.436	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114.4	168.6	172.2	0	0	0	0	107.6	V25 R26 L27	V25-V58 HydrophobicContact CG1-CB 4.14Å; V25-V58 HydrophobicContact CG1-CG2 3.41Å; V25-V58 VanDerWaalsContact CG1-CG2 3.41Å; R26-V58 PolarHBondContact O-N 3Å; L27-V58 HydrophobicContact CD1-CB 3.96Å; L27-V58 HydrophobicContact CD1-CG1 3.66Å
59	I	71.1	Confident	73.5	Confident	35 Å²	35	71.9 Å²	71.9	18%	0.179	38%	0.378	C	S	.	.			trans	-121	147.1	172.5	51.5	176.1	0	0	0	109.7	M30 I52 L57 Q63 H64	M30-I59 HydrophobicContact CE-CD1 4.43Å; M30-I59 HydrophobicContact CE-CG2 3.69Å; M30-I59 HydrophobicContact CG-CG2 4.44Å; M30-I59 HydrophobicContact SD-CG2 4.08Å; I52-I59 HydrophobicContact CD1-CD1 4.04Å; I52-I59 HydrophobicContact CG1-CD1 4.38Å; L57-I59 HydrophobicContact CD1-CG2 3.63Å; L57-I59 HydrophobicContact CD2-CG2 4.11Å; L57-I59 HydrophobicContact CG-CG2 3.76Å; I59-Q63 HydrophobicContact CB-CB 4.05Å; I59-Q63 HydrophobicContact CG2-CB 4.38Å; I59-H64 HydrophobicContact CD1-CB 3.72Å; I59-H64 HydrophobicContact CG1-CB 4.35Å
60	T	72	Confident	73.3	Confident	70 Å²	70	69.8 Å²	69.8	43%	0.429	37%	0.367	S	S	.	.			trans	-69	157.3	169.6	59.6	0	0	0	0	110.7	S62 Q63 H64	T60-S62 PolarHBondContact O-N 2.91Å; T60-S62 PolarHBondContact OG1-OG 3.44Å; T60-S62 VanDerWaalsContact OG1-OG 3.05Å; T60-Q63 WeakPolarHBondContact O-CB 3.49Å; T60-Q63 PolarHBondContact O-N 3.04Å; T60-Q63 VanDerWaalsContact O-N 3.12Å; T60-Q63 WeakPolarHBondContact OG1-CB 3.35Å; T60-Q63 VanDerWaalsContact OG1-CG 3.22Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.49Å; T60-Q63 PolarHBondContact OG1-N 2.82Å; T60-Q63 PolarHBondContact OG1-OE1 3.23Å; T60-H64 PolarHBondContact O-N 2.85Å
61	L	73.6	Confident	73.1	Confident	155 Å²	155	71.4 Å²	71.4	81%	0.812	36%	0.361	S	S	*	.	H	α-helix	trans	-58.2	-33.5	175.6	-69.3	175.8	0	0	0	112.7	H64 K65	L61-H64 PolarHBondContact O-N 3.16Å; L61-K65 WeakPolarHBondContact O-CB 3.43Å; L61-K65 PolarHBondContact O-N 3.33Å
62	S	72.8	Confident	73.1	Confident	79 Å²	79	79.8 Å²	79.8	55%	0.552	39%	0.391	S	S	*	.	H	α-helix	trans	-66.7	-43.1	175.7	54.1	0	0	0	0	111.7	T60 K65 T66	T60-S62 PolarHBondContact O-N 2.91Å; T60-S62 PolarHBondContact OG1-OG 3.44Å; T60-S62 VanDerWaalsContact OG1-OG 3.05Å; S62-K65 WeakPolarHBondContact O-CB 3.28Å; S62-K65 PolarHBondContact O-N 3.13Å; S62-T66 PolarHBondContact O-N 2.96Å; S62-T66 PolarHBondContact O-OG1 2.92Å
63	Q	71	Confident	73	Confident	22 Å²	22	83.1 Å²	83.1	10%	0.103	40%	0.404	C	S	.	.	H	α-helix	trans	-64.2	-41.3	173.8	-73.1	160.7	-18.3	0	0	111.9	I28 M30 I59 T60 K65 T66 Y67	I28-Q63 PolarHBondContact O-NE2 3.42Å; I28-Q63 PolarHBondContact O-OE1 2.84Å; M30-Q63 HydrophobicContact CB-CB 4.34Å; M30-Q63 HydrophobicContact CB-CG 4.4Å; I59-Q63 HydrophobicContact CB-CB 4.05Å; I59-Q63 HydrophobicContact CG2-CB 4.38Å; T60-Q63 WeakPolarHBondContact O-CB 3.49Å; T60-Q63 PolarHBondContact O-N 3.04Å; T60-Q63 VanDerWaalsContact O-N 3.12Å; T60-Q63 WeakPolarHBondContact OG1-CB 3.35Å; T60-Q63 VanDerWaalsContact OG1-CG 3.22Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.49Å; T60-Q63 PolarHBondContact OG1-N 2.82Å; T60-Q63 PolarHBondContact OG1-OE1 3.23Å; Q63-K65 VanDerWaalsContact C-N 3.32Å; Q63-K65 PolarHBondContact O-N 3.43Å; Q63-T66 PolarHBondContact O-N 3.02Å; Q63-Y67 WeakPolarHBondContact O-CB 3.36Å; Q63-Y67 PolarHBondContact O-N 2.87Å
64	H	72.5	Confident	72.6	Confident	69 Å²	69	78.8 Å²	78.8	32%	0.319	39%	0.391	S	S	.	.	H	α-helix	trans	-61.9	-40.1	175.6	-171.7	65.4	0	0	0	112	I59 T60 L61 Y67 L68	I59-H64 HydrophobicContact CD1-CB 3.72Å; I59-H64 HydrophobicContact CG1-CB 4.35Å; T60-H64 PolarHBondContact O-N 2.85Å; L61-H64 PolarHBondContact O-N 3.16Å; H64-Y67 WeakPolarHBondContact O-CB 3.43Å; H64-Y67 PolarHBondContact O-N 3.29Å; H64-L68 WeakPolarHBondContact O-CG 3.49Å; H64-L68 PolarHBondContact O-N 3.4Å
65	K	77.8	Confident	71.8	Confident	137 Å²	137	82.9 Å²	82.9	60%	0.596	43%	0.427	S	S	*	.	H	α-helix	trans	-61.2	-46.5	173.2	-176.3	-179.2	178.1	-178.5	0	111.7	L61 S62 Q63 Y67 L68 Q69	L61-K65 WeakPolarHBondContact O-CB 3.43Å; L61-K65 PolarHBondContact O-N 3.33Å; S62-K65 WeakPolarHBondContact O-CB 3.28Å; S62-K65 PolarHBondContact O-N 3.13Å; Q63-K65 VanDerWaalsContact C-N 3.32Å; Q63-K65 PolarHBondContact O-N 3.43Å; K65-Y67 VanDerWaalsContact C-N 3.3Å; K65-Y67 PolarHBondContact O-N 3.28Å; K65-L68 PolarHBondContact O-N 2.77Å; K65-Q69 WeakPolarHBondContact O-CG 3.41Å; K65-Q69 PolarHBondContact O-N 3.46Å
66	T	73.4	Confident	71.9	Confident	43 Å²	43	79.1 Å²	79.1	26%	0.264	41%	0.412	S	S	.	.	H	α-helix	trans	-60.7	-41.1	175.6	-58.8	0	0	0	0	111.3	M32 S62 Q63 Q69 A70	M32-T66 HydrophobicContact CB-CG2 4.05Å; S62-T66 PolarHBondContact O-N 2.96Å; S62-T66 PolarHBondContact O-OG1 2.92Å; Q63-T66 PolarHBondContact O-N 3.02Å; T66-Q69 PolarHBondContact O-N 3.28Å; T66-A70 WeakPolarHBondContact O-CB 3.47Å; T66-A70 PolarHBondContact O-N 3.5Å
67	Y	75.1	Confident	72	Confident	3 Å²	3	79.6 Å²	79.6	1%	0.012	42%	0.418	C	S	.	.	H	α-helix	trans	-57.8	-50.5	175.5	169.6	-85	0	0	0	112.2	M5 M30 F45 V48 D49 I52 Q63 H64 K65 Q69 A70 R71	M5-Y67 HydrophobicContact CE-CD2 2.97Å; M5-Y67 HydrophobicContact CE-CE2 3.32Å; M5-Y67 HydrophobicContact CE-CG 3.75Å; M5-Y67 VanDerWaalsContact SD-CA 3.5Å; M5-Y67 HydrophobicContact SD-CD2 3.39Å; M5-Y67 WeakPolarHBondContact SD-CD2 3.22Å; M5-Y67 HydrophobicContact SD-CE2 4.28Å; M5-Y67 HydrophobicContact SD-CG 3.97Å; M30-Y67 HydrophobicContact CE-CD2 4.47Å; M30-Y67 HydrophobicContact SD-CD2 4.11Å; M30-Y67 HydrophobicContact SD-CG 4.45Å; F45-Y67 AromaticContact CD1-CE2 3.96Å; F45-Y67 HydrophobicContact CD1-CE2 3.96Å; V48-Y67 HydrophobicContact CB-CD2 4.27Å; V48-Y67 HydrophobicContact CB-CE2 3.71Å; V48-Y67 HydrophobicContact CG1-CD2 3.46Å; V48-Y67 VanDerWaalsContact CG1-CD2 3.46Å; V48-Y67 HydrophobicContact CG1-CE2 3.27Å; V48-Y67 HydrophobicContact CG2-CE2 4.48Å; D49-Y67 VanDerWaalsContact CG-OH 3.3Å; D49-Y67 PolarHBondContact OD1-OH 3.02Å; I52-Y67 HydrophobicContact CD1-CE1 4.48Å; Q63-Y67 WeakPolarHBondContact O-CB 3.36Å; Q63-Y67 PolarHBondContact O-N 2.87Å; H64-Y67 WeakPolarHBondContact O-CB 3.43Å; H64-Y67 PolarHBondContact O-N 3.29Å; K65-Y67 VanDerWaalsContact C-N 3.3Å; K65-Y67 PolarHBondContact O-N 3.28Å; Y67-Q69 VanDerWaalsContact C-N 3.31Å; Y67-Q69 PolarHBondContact O-N 3.35Å; Y67-A70 PolarHBondContact O-N 2.7Å; Y67-R71 WeakPolarHBondContact O-CB 3.35Å; Y67-R71 PolarHBondContact O-N 2.94Å; Y67-R71 PolarHBondContact OH-NH1 3.47Å
68	L	77.9	Confident	72.1	Confident	73 Å²	73	83.2 Å²	83.2	38%	0.382	44%	0.437	S	S	.	.	H	α-helix	trans	-63.7	-36.8	178.5	-69	177.4	0	0	0	112.3	H64 K65 R71 R72	H64-L68 WeakPolarHBondContact O-CG 3.49Å; H64-L68 PolarHBondContact O-N 3.4Å; K65-L68 PolarHBondContact O-N 2.77Å; L68-R71 PolarHBondContact O-N 2.84Å; L68-R72 WeakPolarHBondContact O-CG 3.46Å; L68-R72 PolarHBondContact O-N 3.11Å
69	Q	79.1	Confident	72.4	Confident	101 Å²	101	83.9 Å²	83.9	47%	0.472	44%	0.437	S	S	.	.	H	α-helix	trans	-66.1	-44.1	175.8	-74.3	179.4	-27.8	0	0	112	K65 T66 Y67 R71 R72 K73	K65-Q69 WeakPolarHBondContact O-CG 3.41Å; K65-Q69 PolarHBondContact O-N 3.46Å; T66-Q69 PolarHBondContact O-N 3.28Å; Y67-Q69 VanDerWaalsContact C-N 3.31Å; Y67-Q69 PolarHBondContact O-N 3.35Å; Q69-R71 VanDerWaalsContact C-N 3.34Å; Q69-R72 PolarHBondContact O-N 2.97Å; Q69-K73 PolarHBondContact O-N 2.94Å
70	A	72.1	Confident	72.5	Confident	0 Å²	0	86.9 Å²	86.9	0%	0	45%	0.453	C	S	.	.	H	α-helix	trans	-63.2	-41.4	176.2	0	0	0	0	0	111.5	T3 M5 M32 F45 T66 Y67 K73 S74	T3-A70 HydrophobicContact CG2-CB 3.92Å; M5-A70 HydrophobicContact CE-CB 4.02Å; M5-A70 HydrophobicContact CG-CB 4.25Å; M5-A70 HydrophobicContact SD-CB 4.4Å; M32-A70 HydrophobicContact CG-CB 4.33Å; M32-A70 HydrophobicContact SD-CB 4.23Å; F45-A70 HydrophobicContact CE1-CB 3.99Å; F45-A70 HydrophobicContact CZ-CB 4.03Å; T66-A70 WeakPolarHBondContact O-CB 3.47Å; T66-A70 PolarHBondContact O-N 3.5Å; Y67-A70 PolarHBondContact O-N 2.7Å; A70-K73 PolarHBondContact O-N 3.36Å; A70-S74 PolarHBondContact O-N 3.04Å; A70-S74 VanDerWaalsContact O-N 3.11Å
71	R	71.8	Confident	72.5	Confident	109 Å²	109	88.1 Å²	88.1	41%	0.411	46%	0.455	S	S	.	.	H	α-helix	trans	-64.6	-43.1	179.2	-168.9	179.8	-173.2	153.8	6.7	112	F45 D49 Y67 L68 Q69 K73 S74 A75	F45-R71 HydrophobicContact CD1-CB 3.95Å; F45-R71 HydrophobicContact CD1-CG 4.12Å; F45-R71 HydrophobicContact CE1-CB 3.71Å; F45-R71 HydrophobicContact CE1-CG 4.3Å; F45-R71 VanDerWaalsContact CE1-N 3.34Å; D49-R71 IonicContact OD1-CZ 2.68Å; D49-R71 IonicContact OD1-NH1 3.97Å; D49-R71 PolarHBondContact OD1-NH1 2.75Å; D49-R71 IonicContact OD1-NH2 3.68Å; D49-R71 IonicContact OD2-CZ 3.36Å; D49-R71 IonicContact OD2-NH1 2.7Å; D49-R71 PolarHBondContact OD2-NH1 3.2Å; D49-R71 IonicContact OD2-NH2 3.04Å; D49-R71 PolarHBondContact OD2-NH2 3.18Å; Y67-R71 WeakPolarHBondContact O-CB 3.35Å; Y67-R71 PolarHBondContact O-N 2.94Å; Y67-R71 PolarHBondContact OH-NH1 3.47Å; L68-R71 PolarHBondContact O-N 2.84Å; Q69-R71 VanDerWaalsContact C-N 3.34Å; R71-K73 VanDerWaalsContact C-N 3.26Å; R71-K73 PolarHBondContact O-N 3.22Å; R71-S74 PolarHBondContact O-N 3.28Å; R71-A75 PolarHBondContact O-N 2.68Å
72	R	75.4	Confident	72.4	Confident	204 Å²	204	83.3 Å²	83.3	77%	0.77	43%	0.429	S	S	*	.	H	α-helix	trans	-61.9	-31.6	175.1	-76.4	179.4	-178.7	-174.7	0.7	113.2	L68 Q69	L68-R72 WeakPolarHBondContact O-CG 3.46Å; L68-R72 PolarHBondContact O-N 3.11Å; Q69-R72 PolarHBondContact O-N 2.97Å
73	K	70.7	Confident	72.4	Confident	123 Å²	123	83.6 Å²	83.6	54%	0.535	42%	0.42	S	S	.	.	H	α-helix	trans	-79.3	-21.3	176.6	-75.8	-175.4	172.1	-170.8	0	113.6	Q69 A70 R71	Q69-K73 PolarHBondContact O-N 2.94Å; A70-K73 PolarHBondContact O-N 3.36Å; R71-K73 VanDerWaalsContact C-N 3.26Å; R71-K73 PolarHBondContact O-N 3.22Å
74	S	67.2	Low	72.5	Confident	65 Å²	65	88.8 Å²	88.8	46%	0.455	45%	0.446	S	S	.	.	H	α-helix	trans	-90.8	-14.3	-179	-170	0	0	0	0	113.6	A70 R71	A70-S74 PolarHBondContact O-N 3.04Å; A70-S74 VanDerWaalsContact O-N 3.11Å; R71-S74 PolarHBondContact O-N 3.28Å
75	A	57.2	Low	72.5	Confident	138 Å²	138	90.5 Å²	90.5	100%	1.141	46%	0.458	S	S	*	.			trans	-85.5	0	168.8	0	0	0	0	0	109.9	R71	R71-A75 PolarHBondContact O-N 2.68Å

Retrieved 75 of 75 residues in 175 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).