A0A3Q0KR24_SCHMA Loading...

MEG 2.3 isoform 1 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KR24, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 85 aa.

						>A0A3Q0KR24_SCHMA|A0A3Q0KR24
MCLTIFYVIHLLAIFSDSNEWVITCNKTTCCDEVGNSKICCVGNDCKDIIKPRRSGEDDVDLYKRKIGMAYKLGEIRKLLLFLVL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	54.1	Low	60.6	Low	204 Å²	204	112.9 Å²	112.9	100%	1.005	57%	0.572	S	S	*	*				0	-31.2	0	-59.4	-178.9	104	0	0	113.2	T4 I5	M1-T4 PolarHBondContact O-OG1 3.24Å; M1-I5 WeakPolarHBondContact O-CG1 3.36Å
2	C	59.9	Low	60.6	Low	96 Å²	96	106 Å²	106	65%	0.649	54%	0.537	S	S	*	.	H	α-helix	trans	-71.3	-37.9	179.4	-65.5	0	0	0	0	114.9	T4 I5 F6	C2-T4 PolarHBondContact O-N 3.29Å; C2-I5 PolarHBondContact O-N 3.41Å; C2-F6 WeakPolarHBondContact O-CD2 3.48Å; C2-F6 PolarHBondContact O-N 2.94Å
3	L	61.5	Low	60.4	Low	154 Å²	154	101.8 Å²	101.8	81%	0.806	53%	0.529	S	S	*	.	H	α-helix	trans	-63	-39	-177.7	-81.3	160.3	0	0	0	113.4	I5 F6 Y7	L3-I5 VanDerWaalsContact C-N 3.34Å; L3-I5 PolarHBondContact O-N 2.97Å; L3-F6 PolarHBondContact O-N 3.37Å; L3-Y7 PolarHBondContact O-N 3.41Å
4	T	57.8	Low	60.3	Low	96 Å²	96	101.9 Å²	101.9	59%	0.589	53%	0.529	S	S	*	.	H	α-helix	trans	-65.5	-38.1	178.6	38.7	0	0	0	0	111.8	M1 C2 Y7 V8	M1-T4 PolarHBondContact O-OG1 3.24Å; C2-T4 PolarHBondContact O-N 3.29Å; T4-Y7 PolarHBondContact O-N 3.47Å; T4-V8 WeakPolarHBondContact O-CG2 3.48Å; T4-V8 PolarHBondContact O-N 3.44Å; T4-V8 VanDerWaalsContact O-N 3.15Å
5	I	60.4	Low	59.9	Low	100 Å²	100	97.5 Å²	97.5	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-67.4	-43.9	179.5	-60.9	169.2	0	0	0	110.5	M1 C2 L3 Y7 V8 I9	M1-I5 WeakPolarHBondContact O-CG1 3.36Å; C2-I5 PolarHBondContact O-N 3.41Å; L3-I5 VanDerWaalsContact C-N 3.34Å; L3-I5 PolarHBondContact O-N 2.97Å; I5-Y7 VanDerWaalsContact C-N 3.3Å; I5-Y7 PolarHBondContact O-N 2.97Å; I5-V8 PolarHBondContact O-N 3.21Å; I5-I9 HydrophobicContact CG2-CD1 3.82Å; I5-I9 HydrophobicContact CG2-CG1 4.4Å; I5-I9 WeakPolarHBondContact O-CG1 3.35Å; I5-I9 PolarHBondContact O-N 3.2Å
6	F	61.8	Low	59.4	Low	131 Å²	131	95.3 Å²	95.3	58%	0.575	50%	0.5	S	S	*	.	H	α-helix	trans	-59.5	-40.4	176.3	-92	-82	0	0	0	112.6	C2 L3 I9 H10	C2-F6 WeakPolarHBondContact O-CD2 3.48Å; C2-F6 PolarHBondContact O-N 2.94Å; L3-F6 PolarHBondContact O-N 3.37Å; F6-I9 PolarHBondContact O-N 3.4Å; F6-H10 PolarHBondContact O-CD2 3.25Å; F6-H10 PolarHBondContact O-N 3.23Å
7	Y	62.9	Low	58.9	Low	161 Å²	161	98.8 Å²	98.8	63%	0.631	52%	0.519	S	S	*	.	H	α-helix	trans	-65	-41	178.3	-163.8	-102.4	0	0	0	112.1	L3 T4 I5 H10 L11	L3-Y7 PolarHBondContact O-N 3.41Å; T4-Y7 PolarHBondContact O-N 3.47Å; I5-Y7 VanDerWaalsContact C-N 3.3Å; I5-Y7 PolarHBondContact O-N 2.97Å; Y7-H10 PolarHBondContact O-N 3.49Å; Y7-L11 HydrophobicContact CD1-CD1 3.6Å; Y7-L11 HydrophobicContact CD1-CG 4.3Å; Y7-L11 HydrophobicContact CE1-CD1 3.49Å; Y7-L11 VanDerWaalsContact CE1-CD1 3.49Å; Y7-L11 HydrophobicContact CE1-CG 4.14Å; Y7-L11 WeakPolarHBondContact O-CB 3.43Å; Y7-L11 WeakPolarHBondContact O-CG 3.24Å; Y7-L11 PolarHBondContact O-N 3.25Å
8	V	61.9	Low	58.5	Low	43 Å²	43	95.8 Å²	95.8	26%	0.261	51%	0.508	S	S	.	.	H	α-helix	trans	-66	-42	176.6	176.3	0	0	0	0	111.4	T4 I5 L11 L12 V84	T4-V8 WeakPolarHBondContact O-CG2 3.48Å; T4-V8 PolarHBondContact O-N 3.44Å; T4-V8 VanDerWaalsContact O-N 3.15Å; I5-V8 PolarHBondContact O-N 3.21Å; V8-L11 PolarHBondContact O-N 3.03Å; V8-L12 HydrophobicContact CG1-CD1 4.12Å; V8-L12 HydrophobicContact CG1-CG 4.45Å; V8-L12 WeakPolarHBondContact O-CB 3.41Å; V8-L12 WeakPolarHBondContact O-CG 3.44Å; V8-L12 PolarHBondContact O-N 3.31Å; V8-V84 HydrophobicContact CG1-CG2 3.57Å
9	I	62.3	Low	58.2	Low	91 Å²	91	99.8 Å²	99.8	47%	0.467	53%	0.53	S	S	.	.	H	α-helix	trans	-64.1	-42.8	176.9	-65.1	168.1	0	0	0	111	I5 F6 L12 A13	I5-I9 HydrophobicContact CG2-CD1 3.82Å; I5-I9 HydrophobicContact CG2-CG1 4.4Å; I5-I9 WeakPolarHBondContact O-CG1 3.35Å; I5-I9 PolarHBondContact O-N 3.2Å; F6-I9 PolarHBondContact O-N 3.4Å; I9-L12 PolarHBondContact O-N 3.35Å; I9-A13 WeakPolarHBondContact O-CB 3.34Å; I9-A13 PolarHBondContact O-N 3.38Å
10	H	61.5	Low	58.2	Low	118 Å²	118	102.6 Å²	102.6	55%	0.546	54%	0.539	S	S	.	.	H	α-helix	trans	-64.2	-41.9	176.7	-80.3	-53.6	0	0	0	112.3	F6 Y7 A13 I14	F6-H10 PolarHBondContact O-CD2 3.25Å; F6-H10 PolarHBondContact O-N 3.23Å; Y7-H10 PolarHBondContact O-N 3.49Å; H10-A13 PolarHBondContact O-N 3.15Å; H10-I14 WeakPolarHBondContact O-CD1 3.37Å; H10-I14 VanDerWaalsContact O-CG1 3.24Å; H10-I14 WeakPolarHBondContact O-CG1 3.36Å; H10-I14 PolarHBondContact O-N 3.21Å
11	L	62	Low	58.3	Low	48 Å²	48	100.1 Å²	100.1	25%	0.251	52%	0.523	S	S	.	.	H	α-helix	trans	-58.6	-49.7	172.3	-76.8	167.9	0	0	0	110.6	Y7 V8 A13 I14 F15	Y7-L11 HydrophobicContact CD1-CD1 3.6Å; Y7-L11 HydrophobicContact CD1-CG 4.3Å; Y7-L11 HydrophobicContact CE1-CD1 3.49Å; Y7-L11 VanDerWaalsContact CE1-CD1 3.49Å; Y7-L11 HydrophobicContact CE1-CG 4.14Å; Y7-L11 WeakPolarHBondContact O-CB 3.43Å; Y7-L11 WeakPolarHBondContact O-CG 3.24Å; Y7-L11 PolarHBondContact O-N 3.25Å; V8-L11 PolarHBondContact O-N 3.03Å; L11-A13 VanDerWaalsContact C-N 3.33Å; L11-A13 PolarHBondContact O-N 3.2Å; L11-I14 PolarHBondContact O-N 3.34Å; L11-F15 HydrophobicContact CB-CD2 4.18Å; L11-F15 HydrophobicContact CB-CE2 4.04Å; L11-F15 HydrophobicContact CD2-CE2 3.82Å; L11-F15 HydrophobicContact CD2-CZ 4.31Å; L11-F15 VanDerWaalsContact O-CB 3.29Å; L11-F15 WeakPolarHBondContact O-CB 3.49Å; L11-F15 WeakPolarHBondContact O-CD2 2.89Å; L11-F15 WeakPolarHBondContact O-CG 3.2Å; L11-F15 PolarHBondContact O-N 3.22Å
12	L	61.4	Low	58.7	Low	30 Å²	30	95 Å²	95	16%	0.157	50%	0.503	C	S	.	.	H	α-helix	trans	-59.1	-41.1	177.7	-75.8	172.6	0	0	0	112.6	V8 I9 F15 S16 L80 L81 V84	V8-L12 HydrophobicContact CG1-CD1 4.12Å; V8-L12 HydrophobicContact CG1-CG 4.45Å; V8-L12 WeakPolarHBondContact O-CB 3.41Å; V8-L12 WeakPolarHBondContact O-CG 3.44Å; V8-L12 PolarHBondContact O-N 3.31Å; I9-L12 PolarHBondContact O-N 3.35Å; L12-F15 CarbonylContact O-C 3.37Å; L12-F15 PolarHBondContact O-N 2.83Å; L12-S16 WeakPolarHBondContact O-CB 3.18Å; L12-S16 PolarHBondContact O-N 2.98Å; L12-L80 HydrophobicContact CD2-CB 4.16Å; L12-L81 HydrophobicContact CD2-CD1 4.49Å; L12-V84 HydrophobicContact CD1-CG1 4.43Å; L12-V84 HydrophobicContact CD1-CG2 4.07Å
13	A	58.2	Low	59.2	Low	52 Å²	52	91.7 Å²	91.7	43%	0.43	48%	0.478	S	S	.	.	H	α-helix	trans	-63.9	-46.6	178.4	0	0	0	0	0	111.6	I9 H10 L11 F15 S16	I9-A13 WeakPolarHBondContact O-CB 3.34Å; I9-A13 PolarHBondContact O-N 3.38Å; H10-A13 PolarHBondContact O-N 3.15Å; L11-A13 VanDerWaalsContact C-N 3.33Å; L11-A13 PolarHBondContact O-N 3.2Å; A13-F15 PolarHBondContact O-N 3.28Å; A13-S16 PolarHBondContact O-N 2.87Å
14	I	58.3	Low	59.6	Low	103 Å²	103	87.4 Å²	87.4	53%	0.528	46%	0.459	S	S	.	.	H	α-helix	trans	-60	-33.7	175.2	-64.6	163.5	0	0	0	110.8	H10 L11	H10-I14 WeakPolarHBondContact O-CD1 3.37Å; H10-I14 VanDerWaalsContact O-CG1 3.24Å; H10-I14 WeakPolarHBondContact O-CG1 3.36Å; H10-I14 PolarHBondContact O-N 3.21Å; L11-I14 PolarHBondContact O-N 3.34Å
15	F	54.4	Low	60.3	Low	36 Å²	36	83.8 Å²	83.8	16%	0.158	44%	0.437	C	S	.	.	H	α-helix	trans	-89.3	-13.1	-178.3	-69.5	-38	0	0	0	115.2	L11 L12 A13 W21 L73 R77	L11-F15 HydrophobicContact CB-CD2 4.18Å; L11-F15 HydrophobicContact CB-CE2 4.04Å; L11-F15 HydrophobicContact CD2-CE2 3.82Å; L11-F15 HydrophobicContact CD2-CZ 4.31Å; L11-F15 VanDerWaalsContact O-CB 3.29Å; L11-F15 WeakPolarHBondContact O-CB 3.49Å; L11-F15 WeakPolarHBondContact O-CD2 2.89Å; L11-F15 WeakPolarHBondContact O-CG 3.2Å; L11-F15 PolarHBondContact O-N 3.22Å; L12-F15 CarbonylContact O-C 3.37Å; L12-F15 PolarHBondContact O-N 2.83Å; A13-F15 PolarHBondContact O-N 3.28Å; F15-W21 HydrophobicContact CB-CH2 3.39Å; F15-W21 HydrophobicContact CB-CZ2 4.19Å; F15-W21 HydrophobicContact CB-CZ3 4.09Å; F15-W21 AromaticContact CD1-CH2 3.32Å; F15-W21 HydrophobicContact CD1-CH2 3.32Å; F15-W21 AromaticContact CD1-CZ3 3.27Å; F15-W21 HydrophobicContact CD1-CZ3 3.27Å; F15-W21 HydrophobicContact CD2-CH2 4.47Å; F15-W21 HydrophobicContact CE1-CH2 4.16Å; F15-W21 AromaticContact CE1-CZ3 3.94Å; F15-W21 HydrophobicContact CE1-CZ3 3.94Å; F15-W21 AromaticContact CG-CH2 3.48Å; F15-W21 HydrophobicContact CG-CH2 3.48Å; F15-W21 VanDerWaalsContact CG-CH2 3.48Å; F15-W21 AromaticContact CG-CZ3 3.95Å; F15-W21 HydrophobicContact CG-CZ3 3.95Å; F15-L73 HydrophobicContact CE1-CD2 4.01Å; F15-R77 PolarHBondContact O-NH1 3.37Å
16	S	52.5	Low	60.6	Low	62 Å²	62	85.2 Å²	85.2	43%	0.434	45%	0.446	S	S	.	.	H	α-helix	trans	-89	-22.1	-175.1	-164	0	0	0	0	113.4	L12 A13 S18 R77	L12-S16 WeakPolarHBondContact O-CB 3.18Å; L12-S16 PolarHBondContact O-N 2.98Å; A13-S16 PolarHBondContact O-N 2.87Å; S16-S18 PolarHBondContact O-N 3.11Å; S16-S18 VanDerWaalsContact O-N 3.11Å; S16-R77 PolarHBondContact OG-NH2 3.45Å
17	D	50.4	Low	60.5	Low	154 Å²	154	88.5 Å²	88.5	82%	0.824	46%	0.46	S	S	*	.	S	Bend	trans	-71.7	-1.4	-176.5	-92.2	-28.9	0	0	0	114.5
18	S	51.7	Low	60.3	Low	46 Å²	46	83.9 Å²	83.9	32%	0.322	45%	0.449	S	S	.	.			trans	-120.8	102.5	-176.8	-60.6	0	0	0	0	110.6	S16 E20	S16-S18 PolarHBondContact O-N 3.11Å; S16-S18 VanDerWaalsContact O-N 3.11Å; S18-E20 WeakPolarHBondContact CB-O 3.29Å; S18-E20 PolarHBondContact O-N 3.22Å
19	N	52.9	Low	60.4	Low	172 Å²	172	85.8 Å²	85.8	92%	0.92	46%	0.46	S	S	*	.	S	Bend	trans	-60.9	-23.8	170.2	-77.8	-19.1	0	0	0	112.1
20	E	58.2	Low	60.8	Low	154 Å²	154	81.5 Å²	81.5	72%	0.72	44%	0.439	S	S	*	.	S	Bend	trans	-130.9	125.2	173.8	-165.4	169.7	-154.3	0	0	106.9	S18 V22	S18-E20 WeakPolarHBondContact CB-O 3.29Å; S18-E20 PolarHBondContact O-N 3.22Å; E20-V22 VanDerWaalsContact C-N 3.27Å; E20-V22 PolarHBondContact O-N 2.78Å
21	W	61.1	Low	61.6	Low	51 Å²	51	80.2 Å²	80.2	19%	0.193	44%	0.442	C	S	.	.			trans	-72	85.8	-177.5	-72	94.8	0	0	0	110.2	F15 I23 A70 L73 R77	F15-W21 HydrophobicContact CB-CH2 3.39Å; F15-W21 HydrophobicContact CB-CZ2 4.19Å; F15-W21 HydrophobicContact CB-CZ3 4.09Å; F15-W21 AromaticContact CD1-CH2 3.32Å; F15-W21 HydrophobicContact CD1-CH2 3.32Å; F15-W21 AromaticContact CD1-CZ3 3.27Å; F15-W21 HydrophobicContact CD1-CZ3 3.27Å; F15-W21 HydrophobicContact CD2-CH2 4.47Å; F15-W21 HydrophobicContact CE1-CH2 4.16Å; F15-W21 AromaticContact CE1-CZ3 3.94Å; F15-W21 HydrophobicContact CE1-CZ3 3.94Å; F15-W21 AromaticContact CG-CH2 3.48Å; F15-W21 HydrophobicContact CG-CH2 3.48Å; F15-W21 VanDerWaalsContact CG-CH2 3.48Å; F15-W21 AromaticContact CG-CZ3 3.95Å; F15-W21 HydrophobicContact CG-CZ3 3.95Å; W21-I23 PolarHBondContact O-N 3.34Å; W21-A70 HydrophobicContact CB-CB 4.01Å; W21-A70 WeakPolarHBondContact O-CB 3.39Å; W21-L73 HydrophobicContact CD2-CB 4.14Å; W21-L73 HydrophobicContact CE3-CB 3.92Å; W21-L73 HydrophobicContact CE3-CD2 4.42Å; W21-L73 HydrophobicContact CH2-CB 4.48Å; W21-L73 HydrophobicContact CH2-CD2 4.5Å; W21-L73 HydrophobicContact CZ3-CB 4.09Å; W21-L73 HydrophobicContact CZ3-CD2 3.95Å; W21-R77 HydrophobicContact CH2-CB 4.12Å; W21-R77 HydrophobicContact CZ2-CB 3.48Å; W21-R77 VanDerWaalsContact CZ2-CB 3.48Å; W21-R77 HydrophobicContact CZ2-CG 3.99Å
22	V	62.3	Low	62.6	Low	96 Å²	96	79.2 Å²	79.2	58%	0.582	44%	0.437	S	S	*	.			trans	-81.1	117.2	176.9	-171.3	0	0	0	0	108.2	E20 T24	E20-V22 VanDerWaalsContact C-N 3.27Å; E20-V22 PolarHBondContact O-N 2.78Å; V22-T24 HydrophobicContact CB-CG2 4.12Å; V22-T24 HydrophobicContact CG1-CG2 3.64Å; V22-T24 PolarHBondContact O-N 3.47Å
23	I	68.9	Low	63.7	Low	27 Å²	27	83.6 Å²	83.6	14%	0.138	46%	0.456	C	S	.	.			trans	-68.1	106.1	170.3	-59.7	-62.1	0	0	0	108	W21 C30 K66 M69 A70 L73	W21-I23 PolarHBondContact O-N 3.34Å; I23-C30 HydrophobicContact CG2-CB 3.47Å; I23-C30 VanDerWaalsContact CG2-CB 3.47Å; I23-C30 WeakPolarHBondContact CG2-SG 3.48Å; I23-K66 WeakPolarHBondContact CG1-O 3.46Å; I23-M69 HydrophobicContact CD1-CB 3.68Å; I23-M69 HydrophobicContact CG1-CB 4.06Å; I23-A70 HydrophobicContact CD1-CB 4.47Å; I23-A70 HydrophobicContact CG1-CB 4.21Å; I23-L73 HydrophobicContact CD1-CD1 3.53Å
24	T	70.4	Confident	64.8	Low	65 Å²	65	85 Å²	85	40%	0.399	46%	0.46	S	S	.	.			trans	-123.8	147.8	178.1	67.7	0	0	0	0	110.2	V22 N26	V22-T24 HydrophobicContact CB-CG2 4.12Å; V22-T24 HydrophobicContact CG1-CG2 3.64Å; V22-T24 PolarHBondContact O-N 3.47Å; T24-N26 VanDerWaalsContact C-N 3.28Å; T24-N26 PolarHBondContact O-N 2.99Å
25	C	72.8	Confident	66.1	Low	20 Å²	20	83.3 Å²	83.3	14%	0.135	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	9.1	177.7	-69.5	0	0	0	0	113.9	K27 C41 G43 D45	C25-K27 PolarHBondContact O-N 2.82Å; C25-C41 WeakPolarHBondContact CA-SG 3.45Å; C25-C41 HydrophobicContact CB-CB 3.59Å; C25-C41 WeakPolarHBondContact CB-SG 3.47Å; C25-C41 WeakPolarHBondContact SG-CA 3.31Å; C25-C41 WeakPolarHBondContact SG-CB 3.13Å; C25-C41 CovalentContact SG-SG 2.04Å; C25-C41 PolarHBondContact SG-SG 3.47Å; C25-G43 WeakPolarHBondContact CB-O 3.32Å; C25-D45 PolarHBondContact SG-O 2.98Å
26	N	66.5	Low	67.5	Low	129 Å²	129	88.8 Å²	88.8	69%	0.69	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-30.1	-171.2	-141.7	0.5	0	0	0	112.4	T24	T24-N26 VanDerWaalsContact C-N 3.28Å; T24-N26 PolarHBondContact O-N 2.99Å
27	K	59.3	Low	68.9	Low	200 Å²	200	86.7 Å²	86.7	87%	0.87	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.8	-14.8	175.3	-66.8	-170.2	180	174.7	0	115.8	C25	C25-K27 PolarHBondContact O-N 2.82Å
28	T	58.8	Low	70.7	Confident	65 Å²	65	82.8 Å²	82.8	40%	0.399	46%	0.459	S	S	.	.	S	Bend	trans	-154.6	129.3	-170.8	24.2	0	0	0	0	115.2
29	T	63.7	Low	72.3	Confident	83 Å²	83	80.7 Å²	80.7	51%	0.509	44%	0.444	S	S	.	.			trans	48.1	63.5	143.7	62.2	0	0	0	0	119
30	C	71.9	Confident	73.8	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.007	41%	0.406	C	S	.	.			trans	-97.6	93.4	142	-157.7	0	0	0	0	108.3	I23 C40 C41 C46 M69	I23-C30 HydrophobicContact CG2-CB 3.47Å; I23-C30 VanDerWaalsContact CG2-CB 3.47Å; I23-C30 WeakPolarHBondContact CG2-SG 3.48Å; C30-C40 CarbonylContact O-C 3.48Å; C30-C40 WeakPolarHBondContact O-CA 3.41Å; C30-C41 WeakPolarHBondContact CB-SG 3.38Å; C30-C41 PolarHBondContact O-N 3.07Å; C30-C41 VanDerWaalsContact O-N 3.1Å; C30-C46 HydrophobicContact CB-CB 3.37Å; C30-C46 WeakPolarHBondContact CB-SG 3.49Å; C30-C46 WeakPolarHBondContact SG-CB 3.46Å; C30-C46 CovalentContact SG-SG 1.97Å; C30-C46 PolarHBondContact SG-SG 3.08Å; C30-M69 VanDerWaalsContact SG-CE 3.53Å
31	C	77.7	Confident	75	Confident	91 Å²	91	68.3 Å²	68.3	62%	0.615	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.1	104.2	176	-80.7	0	0	0	0	108.1	I39	C31-I39 CarbonylContact C-O 3.55Å; C31-I39 WeakPolarHBondContact CA-O 3.37Å
32	D	83.7	Confident	76	Confident	26 Å²	26	69.4 Å²	69.4	14%	0.139	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.5	175.1	-174.6	68.7	0	0	0	109.4	V34 I39 R65 M69 K72	D32-V34 WeakPolarHBondContact OD2-CG2 3.4Å; D32-I39 PolarHBondContact N-O 3.44Å; D32-I39 PolarHBondContact O-N 2.81Å; D32-R65 PolarHBondContact O-NH2 3.39Å; D32-R65 IonicContact OD2-CZ 2.77Å; D32-R65 IonicContact OD2-NE 2.84Å; D32-R65 PolarHBondContact OD2-NE 3.48Å; D32-R65 IonicContact OD2-NH2 3.92Å; D32-R65 PolarHBondContact OD2-NH2 3.19Å; D32-M69 HydrophobicContact CB-CE 3.75Å; D32-M69 HydrophobicContact CB-CG 3.98Å; D32-M69 HydrophobicContact CB-SD 3.64Å; D32-K72 IonicContact OD1-NZ 3.44Å
33	E	84.7	Confident	77	Confident	123 Å²	123	67.8 Å²	67.8	58%	0.575	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.4	-176	-166.5	170	148.6	0	0	108.9	S37 K38	E33-S37 WeakPolarHBondContact CA-O 2.96Å; E33-K38 WeakPolarHBondContact OE2-CE 2.96Å; E33-K38 IonicContact OE2-NZ 2.75Å; E33-K38 PolarHBondContact OE2-NZ 3.3Å
34	V	81.6	Confident	77.6	Confident	82 Å²	82	72.8 Å²	72.8	50%	0.497	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	111.4	-178.4	178.2	0	0	0	0	108.4	D32 N36 S37	D32-V34 WeakPolarHBondContact OD2-CG2 3.4Å; V34-N36 PolarHBondContact O-N 3.03Å; V34-N36 VanDerWaalsContact O-N 3.17Å; V34-S37 PolarHBondContact N-O 3.02Å; V34-S37 PolarHBondContact O-N 3.44Å; V34-S37 PolarHBondContact O-OG 3.31Å
35	G	84.9	Confident	78	Confident	67 Å²	67	73.8 Å²	73.8	69%	0.691	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	-121.7	-175.9	0	0	0	0	0	111.5	S37	G35-S37 VanDerWaalsContact C-N 3.34Å
36	N	83.3	Confident	78.5	Confident	151 Å²	151	73.1 Å²	73.1	81%	0.807	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	22	-179.9	-67.7	-9.6	0	0	0	113.9	V34 I50	V34-N36 PolarHBondContact O-N 3.03Å; V34-N36 VanDerWaalsContact O-N 3.17Å; N36-I50 WeakPolarHBondContact O-CG2 3.14Å
37	S	83	Confident	79.4	Confident	18 Å²	18	71.3 Å²	71.3	13%	0.126	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.1	-177.3	66.4	0	0	0	0	110	E33 V34 G35 D48 R65	E33-S37 WeakPolarHBondContact CA-O 2.96Å; V34-S37 PolarHBondContact N-O 3.02Å; V34-S37 PolarHBondContact O-N 3.44Å; V34-S37 PolarHBondContact O-OG 3.31Å; G35-S37 VanDerWaalsContact C-N 3.34Å; S37-D48 WeakPolarHBondContact CA-OD2 2.92Å; S37-D48 WeakPolarHBondContact CB-OD2 3.38Å; S37-R65 VanDerWaalsContact CB-NH1 3.32Å; S37-R65 PolarHBondContact O-NH2 3.39Å; S37-R65 PolarHBondContact OG-NH1 3.26Å
38	K	86.9	Confident	80.6	Confident	72 Å²	72	63 Å²	63	31%	0.313	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	103.8	-176.6	-175.7	163.7	-173.3	142.3	0	109.3	E33 D48 I49 I50	E33-K38 WeakPolarHBondContact OE2-CE 2.96Å; E33-K38 IonicContact OE2-NZ 2.75Å; E33-K38 PolarHBondContact OE2-NZ 3.3Å; K38-D48 PolarHBondContact N-OD1 2.87Å; K38-D48 CarbonylContact O-C 3.57Å; K38-D48 VanDerWaalsContact O-CA 3.31Å; K38-D48 WeakPolarHBondContact O-CA 2.94Å; K38-I49 HydrophobicContact CB-CD1 4.49Å; K38-I49 HydrophobicContact CB-CG1 4.05Å; K38-I49 HydrophobicContact CD-CD1 4Å; K38-I49 HydrophobicContact CD-CG1 4.45Å; K38-I49 HydrophobicContact CG-CD1 4.05Å; K38-I49 HydrophobicContact CG-CG1 4.1Å; K38-I49 WeakPolarHBondContact O-CG1 3.47Å; K38-I49 PolarHBondContact O-N 3.37Å; K38-I50 HydrophobicContact CB-CD1 3.47Å; K38-I50 VanDerWaalsContact CB-CD1 3.47Å; K38-I50 HydrophobicContact CB-CG1 3.86Å; K38-I50 HydrophobicContact CD-CD1 4.44Å
39	I	86.4	Confident	81.9	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.005	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	114	179.8	-70.4	175.2	0	0	0	107.5	C31 D32 C46 K47 D48 L62 R65 M69	C31-I39 CarbonylContact C-O 3.55Å; C31-I39 WeakPolarHBondContact CA-O 3.37Å; D32-I39 PolarHBondContact N-O 3.44Å; D32-I39 PolarHBondContact O-N 2.81Å; I39-C46 WeakPolarHBondContact CG2-SG 3.44Å; I39-K47 CarbonylContact C-O 3.44Å; I39-K47 WeakPolarHBondContact CA-O 3.08Å; I39-D48 HydrophobicContact CG1-CB 4.09Å; I39-L62 HydrophobicContact CD1-CD1 3.6Å; I39-L62 HydrophobicContact CG1-CD1 3.98Å; I39-L62 HydrophobicContact CG2-CD1 3.78Å; I39-R65 HydrophobicContact CD1-CB 3.68Å; I39-R65 VanDerWaalsContact CD1-CD 3.47Å; I39-R65 HydrophobicContact CD1-CG 4.17Å; I39-M69 HydrophobicContact CG2-CE 3.9Å
40	C	84.3	Confident	82.8	Confident	17 Å²	17	65.1 Å²	65.1	12%	0.115	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	163.5	178.8	-73.5	0	0	0	0	111.4	C30 V42 K47 I49	C30-C40 CarbonylContact O-C 3.48Å; C30-C40 WeakPolarHBondContact O-CA 3.41Å; C40-V42 PolarHBondContact O-N 3.35Å; C40-K47 PolarHBondContact N-O 3.25Å; C40-K47 PolarHBondContact O-N 3.48Å; C40-I49 HydrophobicContact CB-CD1 4.32Å; C40-I49 HydrophobicContact CB-CG2 3.9Å
41	C	84	Confident	83.2	Confident	50 Å²	50	69.6 Å²	69.6	34%	0.338	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	124.1	167.2	-73.9	0	0	0	0	111.5	C25 C30	C25-C41 WeakPolarHBondContact CA-SG 3.45Å; C25-C41 HydrophobicContact CB-CB 3.59Å; C25-C41 WeakPolarHBondContact CB-SG 3.47Å; C25-C41 WeakPolarHBondContact SG-CA 3.31Å; C25-C41 WeakPolarHBondContact SG-CB 3.13Å; C25-C41 CovalentContact SG-SG 2.04Å; C25-C41 PolarHBondContact SG-SG 3.47Å; C30-C41 WeakPolarHBondContact CB-SG 3.38Å; C30-C41 PolarHBondContact O-N 3.07Å; C30-C41 VanDerWaalsContact O-N 3.1Å
42	V	81.8	Confident	83	Confident	73 Å²	73	68.9 Å²	68.9	44%	0.442	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	99	171.1	-176.3	0	0	0	0	107.5	C40 N44 D45 K47 I49	C40-V42 PolarHBondContact O-N 3.35Å; V42-N44 PolarHBondContact O-N 3.02Å; V42-D45 PolarHBondContact N-O 3.34Å; V42-D45 PolarHBondContact O-N 3.38Å; V42-K47 HydrophobicContact CG2-CB 4.44Å; V42-I49 HydrophobicContact CG2-CG2 3.56Å
43	G	81.7	Confident	82.4	Confident	62 Å²	62	76.4 Å²	76.4	64%	0.639	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	-127.7	-167.3	0	0	0	0	0	110.6	C25	C25-G43 WeakPolarHBondContact CB-O 3.32Å
44	N	81.8	Confident	82.2	Confident	132 Å²	132	80.6 Å²	80.6	71%	0.706	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-5.6	-179.3	-66.3	-14.1	0	0	0	113.8	V42	V42-N44 PolarHBondContact O-N 3.02Å
45	D	80.4	Confident	82.3	Confident	87 Å²	87	79.2 Å²	79.2	47%	0.465	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	148.5	-178.7	-66.7	-49.8	0	0	0	111.3	C25 V42 K47	C25-D45 PolarHBondContact SG-O 2.98Å; V42-D45 PolarHBondContact N-O 3.34Å; V42-D45 PolarHBondContact O-N 3.38Å; D45-K47 HydrophobicContact CB-CD 4.08Å; D45-K47 VanDerWaalsContact CB-CE 3.42Å; D45-K47 HydrophobicContact CB-CG 4.1Å; D45-K47 WeakPolarHBondContact OD2-CE 3.49Å; D45-K47 IonicContact OD2-NZ 2.76Å; D45-K47 PolarHBondContact OD2-NZ 3.17Å
46	C	81.7	Confident	82.2	Confident	5 Å²	5	78.4 Å²	78.4	3%	0.034	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.7	167.3	-177.2	0	0	0	0	111.5	C30 I39 K66	C30-C46 HydrophobicContact CB-CB 3.37Å; C30-C46 WeakPolarHBondContact CB-SG 3.49Å; C30-C46 WeakPolarHBondContact SG-CB 3.46Å; C30-C46 CovalentContact SG-SG 1.97Å; C30-C46 PolarHBondContact SG-SG 3.08Å; I39-C46 WeakPolarHBondContact CG2-SG 3.44Å; C46-K66 WeakPolarHBondContact O-CE 3.34Å; C46-K66 PolarHBondContact O-NZ 3.35Å
47	K	86.3	Confident	82.3	Confident	91 Å²	91	78.5 Å²	78.5	40%	0.396	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	156.6	-169.9	-66.5	174	178.8	151.4	0	110.1	I39 C40 V42 D45 I49	I39-K47 CarbonylContact C-O 3.44Å; I39-K47 WeakPolarHBondContact CA-O 3.08Å; C40-K47 PolarHBondContact N-O 3.25Å; C40-K47 PolarHBondContact O-N 3.48Å; V42-K47 HydrophobicContact CG2-CB 4.44Å; D45-K47 HydrophobicContact CB-CD 4.08Å; D45-K47 VanDerWaalsContact CB-CE 3.42Å; D45-K47 HydrophobicContact CB-CG 4.1Å; D45-K47 WeakPolarHBondContact OD2-CE 3.49Å; D45-K47 IonicContact OD2-NZ 2.76Å; D45-K47 PolarHBondContact OD2-NZ 3.17Å; K47-I49 PolarHBondContact O-N 2.04Å
48	D	84.9	Confident	82.4	Confident	25 Å²	25	78.6 Å²	78.6	13%	0.134	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	122.4	168.7	-168.3	-30.4	0	0	0	110.1	S37 K38 I39 I50 K51	S37-D48 WeakPolarHBondContact CA-OD2 2.92Å; S37-D48 WeakPolarHBondContact CB-OD2 3.38Å; K38-D48 PolarHBondContact N-OD1 2.87Å; K38-D48 CarbonylContact O-C 3.57Å; K38-D48 VanDerWaalsContact O-CA 3.31Å; K38-D48 WeakPolarHBondContact O-CA 2.94Å; I39-D48 HydrophobicContact CG1-CB 4.09Å; D48-I50 PolarHBondContact OD1-N 3.38Å; D48-K51 WeakPolarHBondContact CB-O 3.14Å; D48-K51 PolarHBondContact OD1-N 2.98Å
49	I	84.7	Confident	82.2	Confident	92 Å²	92	77.1 Å²	77.1	47%	0.472	41%	0.409	S	S	.	.	S	Bend	trans	-86.1	-19.8	-178.1	67.6	175.2	0	0	0	112.9	K38 C40 V42 K47	K38-I49 HydrophobicContact CB-CD1 4.49Å; K38-I49 HydrophobicContact CB-CG1 4.05Å; K38-I49 HydrophobicContact CD-CD1 4Å; K38-I49 HydrophobicContact CD-CG1 4.45Å; K38-I49 HydrophobicContact CG-CD1 4.05Å; K38-I49 HydrophobicContact CG-CG1 4.1Å; K38-I49 WeakPolarHBondContact O-CG1 3.47Å; K38-I49 PolarHBondContact O-N 3.37Å; C40-I49 HydrophobicContact CB-CD1 4.32Å; C40-I49 HydrophobicContact CB-CG2 3.9Å; V42-I49 HydrophobicContact CG2-CG2 3.56Å; K47-I49 PolarHBondContact O-N 2.04Å
50	I	83.8	Confident	82.2	Confident	101 Å²	101	80.8 Å²	80.8	52%	0.518	43%	0.431	S	S	.	.	S	Bend	trans	-95.5	-44.7	-179.8	-60.1	176	0	0	0	109.7	N36 K38 D48 P52	N36-I50 WeakPolarHBondContact O-CG2 3.14Å; K38-I50 HydrophobicContact CB-CD1 3.47Å; K38-I50 VanDerWaalsContact CB-CD1 3.47Å; K38-I50 HydrophobicContact CB-CG1 3.86Å; K38-I50 HydrophobicContact CD-CD1 4.44Å; D48-I50 PolarHBondContact OD1-N 3.38Å; I50-P52 WeakPolarHBondContact O-CD 3.49Å
51	K	80.8	Confident	82.3	Confident	96 Å²	96	83.5 Å²	83.5	42%	0.417	45%	0.445	S	S	.	.	S	Bend	trans	-112.4	82.1	-179.2	-164	-170.2	-178.2	-150.2	0	109.8	D48 R53 D58	D48-K51 WeakPolarHBondContact CB-O 3.14Å; D48-K51 PolarHBondContact OD1-N 2.98Å; K51-R53 PolarHBondContact O-N 3.38Å; K51-D58 WeakPolarHBondContact CE-OD1 3.49Å; K51-D58 IonicContact NZ-OD1 2.74Å; K51-D58 PolarHBondContact NZ-OD1 3.36Å
52	P	72.1	Confident	82.3	Confident	75 Å²	75	82.6 Å²	82.6	49%	0.487	44%	0.436	S	S	.	.			trans	-58.7	138.3	176.4	23.9	-32.6	0	0	0	110	I50 R54	I50-P52 WeakPolarHBondContact O-CD 3.49Å; P52-R54 WeakPolarHBondContact O-CG 3.37Å; P52-R54 PolarHBondContact O-N 2.75Å
53	R	71.7	Confident	82.4	Confident	185 Å²	185	86.4 Å²	86.4	70%	0.698	44%	0.444	S	S	*	.			trans	-44	121.9	-178.5	-177.1	-173.4	175	172.5	9.4	111.5	K51 D58 D59	K51-R53 PolarHBondContact O-N 3.38Å; R53-D58 HydrophobicContact CG-CB 4.37Å; R53-D59 WeakPolarHBondContact CD-OD1 3.35Å; R53-D59 IonicContact CZ-OD1 2.72Å; R53-D59 IonicContact CZ-OD2 2.79Å; R53-D59 IonicContact NE-OD1 2.98Å; R53-D59 PolarHBondContact NE-OD1 2.95Å; R53-D59 IonicContact NE-OD2 3.18Å; R53-D59 PolarHBondContact NE-OD2 2.72Å; R53-D59 IonicContact NH1-OD1 3.17Å; R53-D59 PolarHBondContact NH1-OD1 3.46Å; R53-D59 IonicContact NH2-OD1 2.81Å; R53-D59 PolarHBondContact NH2-OD1 3.33Å; R53-D59 IonicContact NH2-OD2 2.61Å; R53-D59 PolarHBondContact NH2-OD2 2.81Å
54	R	80.8	Confident	82.6	Confident	210 Å²	210	90 Å²	90	79%	0.792	44%	0.442	S	S	*	.			trans	-117.3	-24	176.8	-53.8	-166.8	-179.8	-178.6	-2	112.6	P52 D58	P52-R54 WeakPolarHBondContact O-CG 3.37Å; P52-R54 PolarHBondContact O-N 2.75Å; R54-D58 WeakPolarHBondContact CA-OD2 3.46Å; R54-D58 PolarHBondContact N-OD2 2.95Å
55	S	83.3	Confident	82.8	Confident	54 Å²	54	84.8 Å²	84.8	38%	0.378	41%	0.412	S	S	.	.	S	Bend	trans	-145.7	171.3	-177.4	76	0	0	0	0	112.4	E57 D58	S55-E57 PolarHBondContact O-N 3.39Å; S55-E57 WeakPolarHBondContact OG-CB 3.36Å; S55-E57 PolarHBondContact OG-N 2.99Å; S55-D58 PolarHBondContact N-OD2 3.23Å; S55-D58 PolarHBondContact O-N 3.19Å
56	G	83.1	Confident	83	Confident	50 Å²	50	83.5 Å²	83.5	52%	0.515	40%	0.403	S	S	.	.	H	α-helix	trans	-64.6	-20.9	171	0	0	0	0	0	113.7	D59 V60	G56-D59 WeakPolarHBondContact CA-OD2 3.31Å; G56-D59 WeakPolarHBondContact O-CB 3.5Å; G56-D59 PolarHBondContact O-N 3.12Å; G56-V60 PolarHBondContact O-N 3.47Å
57	E	86	Confident	83.1	Confident	152 Å²	152	87.3 Å²	87.3	71%	0.71	42%	0.422	S	S	*	.	H	α-helix	trans	-68.3	-38.1	174.6	-171.2	175.7	92.8	0	0	111.2	S55 D59 V60 D61	S55-E57 PolarHBondContact O-N 3.39Å; S55-E57 WeakPolarHBondContact OG-CB 3.36Å; S55-E57 PolarHBondContact OG-N 2.99Å; E57-D59 PolarHBondContact O-N 2.97Å; E57-V60 PolarHBondContact O-N 3.4Å; E57-D61 PolarHBondContact O-N 1.97Å
58	D	83.3	Confident	83	Confident	20 Å²	20	84.4 Å²	84.4	11%	0.107	42%	0.417	C	S	.	.	H	α-helix	trans	-63.1	-29.5	175.5	-59.9	-48.4	0	0	0	111.6	K51 R53 R54 S55 L62	K51-D58 WeakPolarHBondContact CE-OD1 3.49Å; K51-D58 IonicContact NZ-OD1 2.74Å; K51-D58 PolarHBondContact NZ-OD1 3.36Å; R53-D58 HydrophobicContact CG-CB 4.37Å; R54-D58 WeakPolarHBondContact CA-OD2 3.46Å; R54-D58 PolarHBondContact N-OD2 2.95Å; S55-D58 PolarHBondContact N-OD2 3.23Å; S55-D58 PolarHBondContact O-N 3.19Å; D58-L62 VanDerWaalsContact O-CB 3.23Å; D58-L62 WeakPolarHBondContact O-CB 3.43Å; D58-L62 PolarHBondContact O-N 3.1Å
59	D	83.4	Confident	82.9	Confident	41 Å²	41	83.8 Å²	83.8	22%	0.219	41%	0.414	C	S	.	.	H	α-helix	trans	-70.9	-42.5	175.4	-66.1	-54.2	0	0	0	113	R53 G56 E57 D61 L62 Y63	R53-D59 WeakPolarHBondContact CD-OD1 3.35Å; R53-D59 IonicContact CZ-OD1 2.72Å; R53-D59 IonicContact CZ-OD2 2.79Å; R53-D59 IonicContact NE-OD1 2.98Å; R53-D59 PolarHBondContact NE-OD1 2.95Å; R53-D59 IonicContact NE-OD2 3.18Å; R53-D59 PolarHBondContact NE-OD2 2.72Å; R53-D59 IonicContact NH1-OD1 3.17Å; R53-D59 PolarHBondContact NH1-OD1 3.46Å; R53-D59 IonicContact NH2-OD1 2.81Å; R53-D59 PolarHBondContact NH2-OD1 3.33Å; R53-D59 IonicContact NH2-OD2 2.61Å; R53-D59 PolarHBondContact NH2-OD2 2.81Å; G56-D59 WeakPolarHBondContact CA-OD2 3.31Å; G56-D59 WeakPolarHBondContact O-CB 3.5Å; G56-D59 PolarHBondContact O-N 3.12Å; E57-D59 PolarHBondContact O-N 2.97Å; D59-D61 VanDerWaalsContact C-N 3.3Å; D59-L62 PolarHBondContact O-N 3.01Å; D59-Y63 VanDerWaalsContact O-CB 3.27Å; D59-Y63 WeakPolarHBondContact O-CB 3.44Å; D59-Y63 PolarHBondContact O-N 3.38Å
60	V	86.1	Confident	82.7	Confident	78 Å²	78	80.3 Å²	80.3	47%	0.473	40%	0.399	S	S	.	.	H	α-helix	trans	-64.5	-41.3	177.2	175.8	0	0	0	0	109.7	G56 E57 Y63 K64	G56-V60 PolarHBondContact O-N 3.47Å; E57-V60 PolarHBondContact O-N 3.4Å; V60-Y63 PolarHBondContact O-N 2.79Å; V60-K64 HydrophobicContact CG1-CD 4.25Å; V60-K64 WeakPolarHBondContact O-CB 3.45Å; V60-K64 VanDerWaalsContact O-CG 3.32Å; V60-K64 WeakPolarHBondContact O-CG 3.38Å; V60-K64 PolarHBondContact O-N 2.98Å
61	D	86.7	Confident	82.5	Confident	75 Å²	75	82.7 Å²	82.7	40%	0.401	40%	0.403	S	S	.	.	H	α-helix	trans	-62.9	-50.5	174.8	-172.6	66.7	0	0	0	111.9	E57 D59 Y63 K64 R65	E57-D61 PolarHBondContact O-N 1.97Å; D59-D61 VanDerWaalsContact C-N 3.3Å; D61-Y63 VanDerWaalsContact C-N 3.27Å; D61-Y63 PolarHBondContact O-N 3.04Å; D61-K64 PolarHBondContact O-N 3.49Å; D61-R65 WeakPolarHBondContact O-CG 3.17Å; D61-R65 PolarHBondContact O-N 2.9Å; D61-R65 WeakPolarHBondContact OD2-CD 3.27Å
62	L	83.8	Confident	82.5	Confident	30 Å²	30	83.9 Å²	83.9	16%	0.157	41%	0.408	C	S	.	.	H	α-helix	trans	-55.3	-43.4	176.1	176.7	59.8	0	0	0	111.7	I39 D58 D59 R65 K66	I39-L62 HydrophobicContact CD1-CD1 3.6Å; I39-L62 HydrophobicContact CG1-CD1 3.98Å; I39-L62 HydrophobicContact CG2-CD1 3.78Å; D58-L62 VanDerWaalsContact O-CB 3.23Å; D58-L62 WeakPolarHBondContact O-CB 3.43Å; D58-L62 PolarHBondContact O-N 3.1Å; D59-L62 PolarHBondContact O-N 3.01Å; L62-R65 PolarHBondContact O-N 2.98Å; L62-K66 WeakPolarHBondContact O-CG 3.23Å; L62-K66 PolarHBondContact O-N 2.87Å
63	Y	84.4	Confident	82.7	Confident	154 Å²	154	81.8 Å²	81.8	60%	0.604	39%	0.392	S	S	*	.	H	α-helix	trans	-65.4	-47.4	178.1	-179.3	-105.5	0	0	0	112.4	D59 V60 D61 R65 K66 I67	D59-Y63 VanDerWaalsContact O-CB 3.27Å; D59-Y63 WeakPolarHBondContact O-CB 3.44Å; D59-Y63 PolarHBondContact O-N 3.38Å; V60-Y63 PolarHBondContact O-N 2.79Å; D61-Y63 VanDerWaalsContact C-N 3.27Å; D61-Y63 PolarHBondContact O-N 3.04Å; Y63-R65 VanDerWaalsContact C-N 3.26Å; Y63-R65 PolarHBondContact O-N 3.18Å; Y63-K66 WeakPolarHBondContact O-CB 3.48Å; Y63-K66 PolarHBondContact O-N 3.34Å; Y63-I67 HydrophobicContact CD1-CD1 3.85Å; Y63-I67 HydrophobicContact CE1-CD1 3.23Å; Y63-I67 HydrophobicContact CE1-CG1 4.23Å; Y63-I67 HydrophobicContact CE2-CD1 4.26Å; Y63-I67 VanDerWaalsContact CZ-CD1 3.48Å; Y63-I67 PolarHBondContact O-N 3.47Å
64	K	86.4	Confident	82.9	Confident	138 Å²	138	73.5 Å²	73.5	60%	0.6	37%	0.365	S	S	*	.	H	α-helix	trans	-57.4	-42.3	176	-77.2	174.5	179.7	175.8	0	111.5	V60 D61 I67 G68	V60-K64 HydrophobicContact CG1-CD 4.25Å; V60-K64 WeakPolarHBondContact O-CB 3.45Å; V60-K64 VanDerWaalsContact O-CG 3.32Å; V60-K64 WeakPolarHBondContact O-CG 3.38Å; V60-K64 PolarHBondContact O-N 2.98Å; D61-K64 PolarHBondContact O-N 3.49Å; K64-I67 PolarHBondContact O-N 2.91Å; K64-G68 PolarHBondContact O-N 2.86Å
65	R	86.1	Confident	82.9	Confident	21 Å²	21	67 Å²	67	8%	0.079	34%	0.344	C	S	.	.	H	α-helix	trans	-68.4	-37.6	178.9	-68.6	179.7	66.3	-169.5	4.5	112.2	D32 S37 I39 D61 L62 Y63 G68 M69	D32-R65 PolarHBondContact O-NH2 3.39Å; D32-R65 IonicContact OD2-CZ 2.77Å; D32-R65 IonicContact OD2-NE 2.84Å; D32-R65 PolarHBondContact OD2-NE 3.48Å; D32-R65 IonicContact OD2-NH2 3.92Å; D32-R65 PolarHBondContact OD2-NH2 3.19Å; S37-R65 VanDerWaalsContact CB-NH1 3.32Å; S37-R65 PolarHBondContact O-NH2 3.39Å; S37-R65 PolarHBondContact OG-NH1 3.26Å; I39-R65 HydrophobicContact CD1-CB 3.68Å; I39-R65 VanDerWaalsContact CD1-CD 3.47Å; I39-R65 HydrophobicContact CD1-CG 4.17Å; D61-R65 WeakPolarHBondContact O-CG 3.17Å; D61-R65 PolarHBondContact O-N 2.9Å; D61-R65 WeakPolarHBondContact OD2-CD 3.27Å; L62-R65 PolarHBondContact O-N 2.98Å; Y63-R65 VanDerWaalsContact C-N 3.26Å; Y63-R65 PolarHBondContact O-N 3.18Å; R65-G68 PolarHBondContact O-N 2.82Å; R65-M69 WeakPolarHBondContact O-CE 3.44Å; R65-M69 WeakPolarHBondContact O-CG 3.36Å; R65-M69 PolarHBondContact O-N 2.88Å
66	K	83.3	Confident	82.5	Confident	61 Å²	61	69 Å²	69	27%	0.265	35%	0.349	S	S	.	.	H	α-helix	trans	-59.8	-45.5	170.6	-75.4	-179.2	-173.1	-172.6	0	112.5	I23 C46 L62 Y63 G68 M69 A70	I23-K66 WeakPolarHBondContact CG1-O 3.46Å; C46-K66 WeakPolarHBondContact O-CE 3.34Å; C46-K66 PolarHBondContact O-NZ 3.35Å; L62-K66 WeakPolarHBondContact O-CG 3.23Å; L62-K66 PolarHBondContact O-N 2.87Å; Y63-K66 WeakPolarHBondContact O-CB 3.48Å; Y63-K66 PolarHBondContact O-N 3.34Å; K66-G68 VanDerWaalsContact C-N 3.34Å; K66-G68 PolarHBondContact O-N 3.23Å; K66-M69 HydrophobicContact CG-CE 4.31Å; K66-M69 PolarHBondContact O-N 2.98Å; K66-A70 PolarHBondContact O-N 3.44Å
67	I	83.3	Confident	81.9	Confident	85 Å²	85	69.2 Å²	69.2	44%	0.436	33%	0.334	S	S	.	.	H	α-helix	trans	-61.4	-44.7	174.4	-68.5	175.6	0	0	0	110.7	Y63 K64 M69 A70 Y71	Y63-I67 HydrophobicContact CD1-CD1 3.85Å; Y63-I67 HydrophobicContact CE1-CD1 3.23Å; Y63-I67 HydrophobicContact CE1-CG1 4.23Å; Y63-I67 HydrophobicContact CE2-CD1 4.26Å; Y63-I67 VanDerWaalsContact CZ-CD1 3.48Å; Y63-I67 PolarHBondContact O-N 3.47Å; K64-I67 PolarHBondContact O-N 2.91Å; I67-M69 VanDerWaalsContact C-N 3.31Å; I67-M69 PolarHBondContact O-N 3.48Å; I67-A70 WeakPolarHBondContact O-CB 3.14Å; I67-A70 PolarHBondContact O-N 2.72Å; I67-Y71 WeakPolarHBondContact O-CB 3.34Å; I67-Y71 PolarHBondContact O-N 2.85Å
68	G	84.8	Confident	81.3	Confident	29 Å²	29	68.4 Å²	68.4	30%	0.299	33%	0.328	S	S	.	.	H	α-helix	trans	-59.3	-41.4	178.4	0	0	0	0	0	112.8	K64 R65 K66 Y71 K72	K64-G68 PolarHBondContact O-N 2.86Å; R65-G68 PolarHBondContact O-N 2.82Å; K66-G68 VanDerWaalsContact C-N 3.34Å; K66-G68 PolarHBondContact O-N 3.23Å; G68-Y71 PolarHBondContact O-N 2.81Å; G68-K72 WeakPolarHBondContact O-CG 3.47Å; G68-K72 PolarHBondContact O-N 2.95Å
69	M	83.4	Confident	80.8	Confident	12 Å²	12	72.9 Å²	72.9	6%	0.059	35%	0.352	C	S	.	.	H	α-helix	trans	-62.5	-48.3	173.2	-74.1	-176.3	-97.6	0	0	111.8	I23 C30 D32 I39 R65 K66 I67 Y71 K72 L73	I23-M69 HydrophobicContact CD1-CB 3.68Å; I23-M69 HydrophobicContact CG1-CB 4.06Å; C30-M69 VanDerWaalsContact SG-CE 3.53Å; D32-M69 HydrophobicContact CB-CE 3.75Å; D32-M69 HydrophobicContact CB-CG 3.98Å; D32-M69 HydrophobicContact CB-SD 3.64Å; I39-M69 HydrophobicContact CG2-CE 3.9Å; R65-M69 WeakPolarHBondContact O-CE 3.44Å; R65-M69 WeakPolarHBondContact O-CG 3.36Å; R65-M69 PolarHBondContact O-N 2.88Å; K66-M69 HydrophobicContact CG-CE 4.31Å; K66-M69 PolarHBondContact O-N 2.98Å; I67-M69 VanDerWaalsContact C-N 3.31Å; I67-M69 PolarHBondContact O-N 3.48Å; M69-Y71 VanDerWaalsContact C-N 3.28Å; M69-Y71 PolarHBondContact O-N 2.95Å; M69-K72 PolarHBondContact O-N 2.76Å; M69-L73 WeakPolarHBondContact O-CB 3.18Å; M69-L73 PolarHBondContact O-N 2.77Å
70	A	80.2	Confident	80.2	Confident	20 Å²	20	72.8 Å²	72.8	17%	0.165	35%	0.351	C	S	.	.	H	α-helix	trans	-57.2	-42.9	177.8	0	0	0	0	0	111.7	W21 I23 K66 I67 L73 G74	W21-A70 HydrophobicContact CB-CB 4.01Å; W21-A70 WeakPolarHBondContact O-CB 3.39Å; I23-A70 HydrophobicContact CD1-CB 4.47Å; I23-A70 HydrophobicContact CG1-CB 4.21Å; K66-A70 PolarHBondContact O-N 3.44Å; I67-A70 WeakPolarHBondContact O-CB 3.14Å; I67-A70 PolarHBondContact O-N 2.72Å; A70-L73 PolarHBondContact O-N 3.17Å; A70-G74 PolarHBondContact O-N 3.28Å
71	Y	80.2	Confident	79.3	Confident	151 Å²	151	72.8 Å²	72.8	59%	0.592	35%	0.348	S	S	*	.	H	α-helix	trans	-62.8	-49.2	176.3	-177.3	-93.2	0	0	0	112	I67 G68 M69 L73 G74 E75	I67-Y71 WeakPolarHBondContact O-CB 3.34Å; I67-Y71 PolarHBondContact O-N 2.85Å; G68-Y71 PolarHBondContact O-N 2.81Å; M69-Y71 VanDerWaalsContact C-N 3.28Å; M69-Y71 PolarHBondContact O-N 2.95Å; Y71-L73 VanDerWaalsContact C-N 3.31Å; Y71-L73 PolarHBondContact O-N 3.44Å; Y71-G74 PolarHBondContact O-N 3.46Å; Y71-G74 VanDerWaalsContact O-N 3.12Å; Y71-E75 HydrophobicContact CD1-CG 4.12Å; Y71-E75 HydrophobicContact CE1-CG 3.61Å; Y71-E75 PolarHBondContact O-N 2.87Å
72	K	80.6	Confident	78.4	Confident	120 Å²	120	77.3 Å²	77.3	52%	0.522	36%	0.364	S	S	.	.	H	α-helix	trans	-57.8	-43.6	177.3	-73.8	174	-176.9	176.5	0	111.9	D32 G68 M69 G74 E75 I76	D32-K72 IonicContact OD1-NZ 3.44Å; G68-K72 WeakPolarHBondContact O-CG 3.47Å; G68-K72 PolarHBondContact O-N 2.95Å; M69-K72 PolarHBondContact O-N 2.76Å; K72-G74 VanDerWaalsContact C-N 3.35Å; K72-E75 PolarHBondContact O-N 3.4Å; K72-I76 VanDerWaalsContact O-CG1 3.31Å; K72-I76 WeakPolarHBondContact O-CG1 3.36Å; K72-I76 PolarHBondContact O-N 2.94Å
73	L	76.5	Confident	77.6	Confident	31 Å²	31	82.1 Å²	82.1	16%	0.162	39%	0.389	C	S	.	.	H	α-helix	trans	-60.7	-44.1	175.2	-87.2	151.8	0	0	0	111.7	F15 W21 I23 M69 A70 Y71 E75 I76 R77	F15-L73 HydrophobicContact CE1-CD2 4.01Å; W21-L73 HydrophobicContact CD2-CB 4.14Å; W21-L73 HydrophobicContact CE3-CB 3.92Å; W21-L73 HydrophobicContact CE3-CD2 4.42Å; W21-L73 HydrophobicContact CH2-CB 4.48Å; W21-L73 HydrophobicContact CH2-CD2 4.5Å; W21-L73 HydrophobicContact CZ3-CB 4.09Å; W21-L73 HydrophobicContact CZ3-CD2 3.95Å; I23-L73 HydrophobicContact CD1-CD1 3.53Å; M69-L73 WeakPolarHBondContact O-CB 3.18Å; M69-L73 PolarHBondContact O-N 2.77Å; A70-L73 PolarHBondContact O-N 3.17Å; Y71-L73 VanDerWaalsContact C-N 3.31Å; Y71-L73 PolarHBondContact O-N 3.44Å; L73-E75 PolarHBondContact O-N 3.21Å; L73-I76 PolarHBondContact O-N 3.34Å; L73-R77 PolarHBondContact O-N 3.45Å
74	G	75.7	Confident	76.7	Confident	12 Å²	12	78.9 Å²	78.9	12%	0.124	39%	0.385	C	S	.	.	H	α-helix	trans	-58.8	-43.9	174.6	0	0	0	0	0	113.5	A70 Y71 K72 R77 K78	A70-G74 PolarHBondContact O-N 3.28Å; Y71-G74 PolarHBondContact O-N 3.46Å; Y71-G74 VanDerWaalsContact O-N 3.12Å; K72-G74 VanDerWaalsContact C-N 3.35Å; G74-R77 PolarHBondContact O-N 2.94Å; G74-K78 PolarHBondContact O-N 2.73Å; G74-K78 VanDerWaalsContact O-N 3.08Å
75	E	80.1	Confident	75.2	Confident	74 Å²	74	81.2 Å²	81.2	35%	0.346	40%	0.404	S	S	.	.	H	α-helix	trans	-66.5	-41.9	177.3	-69	-65.7	103.4	0	0	112.3	Y71 K72 L73 R77 K78 L79	Y71-E75 HydrophobicContact CD1-CG 4.12Å; Y71-E75 HydrophobicContact CE1-CG 3.61Å; Y71-E75 PolarHBondContact O-N 2.87Å; K72-E75 PolarHBondContact O-N 3.4Å; L73-E75 PolarHBondContact O-N 3.21Å; E75-R77 VanDerWaalsContact C-N 3.29Å; E75-R77 PolarHBondContact O-N 2.85Å; E75-K78 PolarHBondContact O-N 2.61Å; E75-K78 VanDerWaalsContact O-N 3.17Å; E75-K78 WeakPolarHBondContact OE1-CD 3.5Å; E75-K78 WeakPolarHBondContact OE1-CE 3.43Å; E75-K78 IonicContact OE1-NZ 2.72Å; E75-K78 PolarHBondContact OE1-NZ 2.97Å; E75-L79 PolarHBondContact O-N 3.03Å
76	I	76.2	Confident	74.6	Confident	95 Å²	95	84.3 Å²	84.3	49%	0.487	42%	0.42	S	S	.	.	H	α-helix	trans	-60.6	-40.1	175.7	-69.6	166.1	0	0	0	110.8	K72 L73 L79 L80	K72-I76 VanDerWaalsContact O-CG1 3.31Å; K72-I76 WeakPolarHBondContact O-CG1 3.36Å; K72-I76 PolarHBondContact O-N 2.94Å; L73-I76 PolarHBondContact O-N 3.34Å; I76-L79 PolarHBondContact O-N 3.17Å; I76-L80 HydrophobicContact CG2-CD1 3.84Å; I76-L80 HydrophobicContact CG2-CG 4.48Å; I76-L80 WeakPolarHBondContact O-CB 3.32Å; I76-L80 WeakPolarHBondContact O-CG 3.46Å; I76-L80 PolarHBondContact O-N 3.34Å
77	R	68.7	Low	74.2	Confident	54 Å²	54	85.5 Å²	85.5	20%	0.204	43%	0.428	C	S	.	.	H	α-helix	trans	-64.2	-43.7	174.3	173	179.9	174.1	-165.2	2.7	112.1	F15 S16 W21 L73 G74 E75 L79 L80 L81	F15-R77 PolarHBondContact O-NH1 3.37Å; S16-R77 PolarHBondContact OG-NH2 3.45Å; W21-R77 HydrophobicContact CH2-CB 4.12Å; W21-R77 HydrophobicContact CZ2-CB 3.48Å; W21-R77 VanDerWaalsContact CZ2-CB 3.48Å; W21-R77 HydrophobicContact CZ2-CG 3.99Å; L73-R77 PolarHBondContact O-N 3.45Å; G74-R77 PolarHBondContact O-N 2.94Å; E75-R77 VanDerWaalsContact C-N 3.29Å; E75-R77 PolarHBondContact O-N 2.85Å; R77-L79 PolarHBondContact O-N 2.61Å; R77-L80 PolarHBondContact O-N 2.84Å; R77-L81 HydrophobicContact CG-CD1 4.46Å; R77-L81 WeakPolarHBondContact O-CB 3.49Å; R77-L81 PolarHBondContact O-N 3.26Å
78	K	74	Confident	73.7	Confident	135 Å²	135	85.5 Å²	85.5	59%	0.587	43%	0.427	S	S	*	.	H	α-helix	trans	-57.5	-43.8	176.2	-70.8	177.2	-170.6	165.4	0	110.8	G74 E75 L81 F82	G74-K78 PolarHBondContact O-N 2.73Å; G74-K78 VanDerWaalsContact O-N 3.08Å; E75-K78 PolarHBondContact O-N 2.61Å; E75-K78 VanDerWaalsContact O-N 3.17Å; E75-K78 WeakPolarHBondContact OE1-CD 3.5Å; E75-K78 WeakPolarHBondContact OE1-CE 3.43Å; E75-K78 IonicContact OE1-NZ 2.72Å; E75-K78 PolarHBondContact OE1-NZ 2.97Å; K78-L81 PolarHBondContact O-N 3.28Å; K78-F82 WeakPolarHBondContact O-CB 3.18Å; K78-F82 PolarHBondContact O-N 3.23Å
79	L	73.3	Confident	73	Confident	115 Å²	115	88.8 Å²	88.8	60%	0.602	44%	0.435	S	S	*	.	H	α-helix	trans	-63.3	-45	177.4	-163.4	106.7	0	0	0	112.1	E75 I76 R77 F82 L83	E75-L79 PolarHBondContact O-N 3.03Å; I76-L79 PolarHBondContact O-N 3.17Å; R77-L79 PolarHBondContact O-N 2.61Å; L79-F82 PolarHBondContact O-N 3.31Å; L79-L83 HydrophobicContact CD2-CD1 4.17Å; L79-L83 HydrophobicContact CG-CD1 4.46Å; L79-L83 PolarHBondContact O-N 2.99Å
80	L	69.9	Low	72.4	Confident	38 Å²	38	93.6 Å²	93.6	20%	0.199	46%	0.458	C	S	.	.	H	α-helix	trans	-63	-42.1	176.1	-82.5	162.7	0	0	0	112.1	L12 I76 R77 F82 L83 V84	L12-L80 HydrophobicContact CD2-CB 4.16Å; I76-L80 HydrophobicContact CG2-CD1 3.84Å; I76-L80 HydrophobicContact CG2-CG 4.48Å; I76-L80 WeakPolarHBondContact O-CB 3.32Å; I76-L80 WeakPolarHBondContact O-CG 3.46Å; I76-L80 PolarHBondContact O-N 3.34Å; R77-L80 PolarHBondContact O-N 2.84Å; L80-F82 VanDerWaalsContact C-N 3.28Å; L80-F82 PolarHBondContact O-N 3.29Å; L80-L83 PolarHBondContact O-N 3.01Å; L80-V84 WeakPolarHBondContact O-CG2 3.45Å; L80-V84 PolarHBondContact O-N 3.28Å
81	L	68.3	Low	71.8	Confident	79 Å²	79	98.5 Å²	98.5	41%	0.414	48%	0.478	S	S	.	.	H	α-helix	trans	-61.4	-41.1	177.1	-139	115.3	0	0	0	110.6	L12 R77 K78 L83 V84 L85	L12-L81 HydrophobicContact CD2-CD1 4.49Å; R77-L81 HydrophobicContact CG-CD1 4.46Å; R77-L81 WeakPolarHBondContact O-CB 3.49Å; R77-L81 PolarHBondContact O-N 3.26Å; K78-L81 PolarHBondContact O-N 3.28Å; L81-L83 VanDerWaalsContact C-N 3.32Å; L81-L83 PolarHBondContact O-N 2.77Å; L81-V84 PolarHBondContact O-N 2.74Å; L81-L85 HydrophobicContact CD2-CD1 3.98Å; L81-L85 PolarHBondContact O-N 3.19Å
82	F	68.1	Low	71.2	Confident	170 Å²	170	94.8 Å²	94.8	75%	0.746	47%	0.47	S	S	*	.	H	α-helix	trans	-67.9	-29.1	177.1	-159.7	-90.4	0	0	0	113.3	K78 L79 L80 V84	K78-F82 WeakPolarHBondContact O-CB 3.18Å; K78-F82 PolarHBondContact O-N 3.23Å; L79-F82 PolarHBondContact O-N 3.31Å; L80-F82 VanDerWaalsContact C-N 3.28Å; L80-F82 PolarHBondContact O-N 3.29Å; F82-V84 VanDerWaalsContact C-N 3.34Å
83	L	65.7	Low	70.5	Confident	130 Å²	130	92.8 Å²	92.8	68%	0.681	47%	0.466	S	S	*	.	H	α-helix	trans	-78.4	-18	177.1	-109.9	137.5	0	0	0	113.6	L79 L80 L81	L79-L83 HydrophobicContact CD2-CD1 4.17Å; L79-L83 HydrophobicContact CG-CD1 4.46Å; L79-L83 PolarHBondContact O-N 2.99Å; L80-L83 PolarHBondContact O-N 3.01Å; L81-L83 VanDerWaalsContact C-N 3.32Å; L81-L83 PolarHBondContact O-N 2.77Å
84	V	65.4	Low	70	Confident	86 Å²	86	98 Å²	98	52%	0.521	49%	0.491	S	S	.	.	H	α-helix	trans	-99.3	-19.4	-178.9	176.3	0	0	0	0	112.2	V8 L12 L80 L81 F82	V8-V84 HydrophobicContact CG1-CG2 3.57Å; L12-V84 HydrophobicContact CD1-CG1 4.43Å; L12-V84 HydrophobicContact CD1-CG2 4.07Å; L80-V84 WeakPolarHBondContact O-CG2 3.45Å; L80-V84 PolarHBondContact O-N 3.28Å; L81-V84 PolarHBondContact O-N 2.74Å; F82-V84 VanDerWaalsContact C-N 3.34Å
85	L	55	Low	69.5	Low	188 Å²	188	105.8 Å²	105.8	98%	0.984	53%	0.525	S	S	*	.			trans	-83.9	0	171.1	-78.5	160.3	0	0	0	111.2	L81	L81-L85 HydrophobicContact CD2-CD1 3.98Å; L81-L85 PolarHBondContact O-N 3.19Å

Retrieved 85 of 85 residues in 79.2 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).