A0AA82N4P6_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N4P6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 93 aa.

						>A0AA82N4P6_SCHMA|A0AA82N4P6
MTCRYPCRHILLTYVKRPTLTAHHILRPCSRWKLNNTHNFHYNTTTLPRRSEEYIRIQRSQKIHKQQIVEKYGEHFAMVVEKKVDNYHLKINN
					

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	36.4	Very low	49	Very low	244 Å²	244	125.1 Å²	125.1	100%	1.202	60%	0.596	S	S	*	*				0	114.3	0	-61	-172.2	-176.2	0	0	108.6
2	T	40.6	Very low	49.6	Very low	88 Å²	88	120.4 Å²	120.4	54%	0.54	58%	0.577	S	S	.	*			trans	-110.2	107.5	-175.1	63.3	0	0	0	0	109.3	R4 R31	T2-R4 PolarHBondContact O-N 3.49Å; T2-R31 PolarHBondContact OG1-NH1 2.95Å
3	C	41.7	Very low	50.4	Low	86 Å²	86	115.4 Å²	115.4	58%	0.581	56%	0.558	S	S	*	*			trans	-80	117.5	-177.4	-146.9	0	0	0	0	109.3	C7	C3-C7 HydrophobicContact CB-CB 3.7Å; C3-C7 WeakPolarHBondContact SG-CB 3.44Å
4	R	47	Very low	50.8	Low	198 Å²	198	116 Å²	116	75%	0.747	55%	0.553	S	S	*	*	S	Bend	trans	-82.4	-6.5	-175.7	-88.6	-179.5	175.6	112.4	-3.9	114.7	T2	T2-R4 PolarHBondContact O-N 3.49Å
5	Y	43.9	Very low	51.6	Low	188 Å²	188	115.5 Å²	115.5	74%	0.737	56%	0.56	S	S	*	*	S	Bend	trans	-120.2	158.1	174	-95.3	-100.2	0	0	0	108.6	C7	Y5-C7 WeakPolarHBondContact O-CA 3.4Å; Y5-C7 PolarHBondContact O-N 2.95Å
6	P	50.4	Low	52.3	Low	66 Å²	66	119.1 Å²	119.1	43%	0.429	57%	0.572	S	S	.	*	S	Bend	trans	-52.8	100.9	164	24.1	-32.6	0	0	0	106.1	I10	P6-I10 HydrophobicContact CB-CB 4.34Å; P6-I10 HydrophobicContact CB-CD1 3.8Å; P6-I10 HydrophobicContact CB-CG1 4.5Å; P6-I10 HydrophobicContact CB-CG2 4.36Å
7	C	51.4	Low	52.9	Low	26 Å²	26	121.3 Å²	121.3	18%	0.176	57%	0.573	C	S	.	*			trans	-66.2	158.9	-161.3	56.2	0	0	0	0	107.5	C3 Y5 H9 I10	C3-C7 HydrophobicContact CB-CB 3.7Å; C3-C7 WeakPolarHBondContact SG-CB 3.44Å; Y5-C7 WeakPolarHBondContact O-CA 3.4Å; Y5-C7 PolarHBondContact O-N 2.95Å; C7-H9 CarbonylContact O-C 3.52Å; C7-H9 PolarHBondContact O-N 3.13Å; C7-H9 VanDerWaalsContact SG-CB 3.51Å; C7-H9 PolarHBondContact SG-ND1 3.11Å; C7-I10 PolarHBondContact O-N 3.46Å
8	R	54.6	Low	53.2	Low	194 Å²	194	120.2 Å²	120.2	73%	0.732	58%	0.578	S	S	*	*	H	α-helix	trans	-44.8	-26.6	172.8	-175.8	173.1	173.2	-99.1	1.4	112.5	L11 L12	R8-L11 PolarHBondContact O-N 2.95Å; R8-L12 HydrophobicContact CG-CD1 4.01Å; R8-L12 HydrophobicContact CG-CG 4.42Å; R8-L12 WeakPolarHBondContact O-CB 3.44Å; R8-L12 VanDerWaalsContact O-CG 3.28Å; R8-L12 WeakPolarHBondContact O-CG 3.14Å; R8-L12 PolarHBondContact O-N 3.22Å
9	H	56.1	Low	54	Low	129 Å²	129	120.5 Å²	120.5	60%	0.597	59%	0.588	S	S	*	*	H	α-helix	trans	-62.1	-39.7	171.2	-47.1	97.3	0	0	0	114.6	C7 L12 T13	C7-H9 CarbonylContact O-C 3.52Å; C7-H9 PolarHBondContact O-N 3.13Å; C7-H9 VanDerWaalsContact SG-CB 3.51Å; C7-H9 PolarHBondContact SG-ND1 3.11Å; H9-L12 PolarHBondContact O-N 3.16Å; H9-T13 WeakPolarHBondContact O-CB 3.46Å; H9-T13 PolarHBondContact O-N 2.97Å; H9-T13 PolarHBondContact O-OG1 3.46Å
10	I	58	Low	54.2	Low	38 Å²	38	116.6 Å²	116.6	20%	0.195	57%	0.57	C	S	.	*	H	α-helix	trans	-62.2	-46.5	177.2	-65	-168.5	0	0	0	110	P6 C7 T13 Y14 I25 L26	P6-I10 HydrophobicContact CB-CB 4.34Å; P6-I10 HydrophobicContact CB-CD1 3.8Å; P6-I10 HydrophobicContact CB-CG1 4.5Å; P6-I10 HydrophobicContact CB-CG2 4.36Å; C7-I10 PolarHBondContact O-N 3.46Å; I10-T13 PolarHBondContact O-N 3.4Å; I10-Y14 PolarHBondContact O-N 3.49Å; I10-I25 HydrophobicContact CB-CG2 3.91Å; I10-I25 HydrophobicContact CD1-CG2 4.07Å; I10-I25 HydrophobicContact CG1-CG2 3.65Å; I10-I25 HydrophobicContact CG2-CB 4.47Å; I10-I25 HydrophobicContact CG2-CG2 3.62Å; I10-L26 HydrophobicContact CD1-CD2 4.34Å
11	L	58.6	Low	54.4	Low	119 Å²	119	114.6 Å²	114.6	62%	0.623	56%	0.564	S	S	*	*	H	α-helix	trans	-61.2	-47.5	176	-170.7	68.2	0	0	0	111.3	R8 T13 Y14 V15	R8-L11 PolarHBondContact O-N 2.95Å; L11-T13 VanDerWaalsContact C-N 3.34Å; L11-T13 PolarHBondContact O-N 3.38Å; L11-Y14 PolarHBondContact O-N 2.98Å; L11-V15 WeakPolarHBondContact O-CG2 3.36Å; L11-V15 PolarHBondContact O-N 3.43Å
12	L	57.1	Low	55.3	Low	69 Å²	69	105.7 Å²	105.7	36%	0.361	53%	0.53	S	S	.	.	H	α-helix	trans	-62.6	-37.5	177.2	-75.9	167.3	0	0	0	112.9	R8 H9 V15 K16	R8-L12 HydrophobicContact CG-CD1 4.01Å; R8-L12 HydrophobicContact CG-CG 4.42Å; R8-L12 WeakPolarHBondContact O-CB 3.44Å; R8-L12 VanDerWaalsContact O-CG 3.28Å; R8-L12 WeakPolarHBondContact O-CG 3.14Å; R8-L12 PolarHBondContact O-N 3.22Å; H9-L12 PolarHBondContact O-N 3.16Å; L12-V15 PolarHBondContact O-N 2.95Å; L12-K16 WeakPolarHBondContact O-CB 3.41Å; L12-K16 WeakPolarHBondContact O-CG 3.47Å; L12-K16 PolarHBondContact O-N 3.41Å
13	T	59	Low	56	Low	55 Å²	55	107.4 Å²	107.4	34%	0.337	53%	0.531	S	S	.	.	H	α-helix	trans	-68.7	-41.4	179.6	-47.6	0	0	0	0	110.7	H9 I10 L11 K16 R17 L20	H9-T13 WeakPolarHBondContact O-CB 3.46Å; H9-T13 PolarHBondContact O-N 2.97Å; H9-T13 PolarHBondContact O-OG1 3.46Å; I10-T13 PolarHBondContact O-N 3.4Å; L11-T13 VanDerWaalsContact C-N 3.34Å; L11-T13 PolarHBondContact O-N 3.38Å; T13-K16 PolarHBondContact O-N 3.17Å; T13-R17 PolarHBondContact O-N 3.25Å; T13-L20 HydrophobicContact CG2-CD1 3.78Å
14	Y	57	Low	56.8	Low	124 Å²	124	108.3 Å²	108.3	49%	0.486	53%	0.527	S	S	.	.	H	α-helix	trans	-62.6	-43.5	175.2	-174.3	-100.5	0	0	0	111.9	I10 L11 R17 I25	I10-Y14 PolarHBondContact O-N 3.49Å; L11-Y14 PolarHBondContact O-N 2.98Å; Y14-R17 CarbonylContact O-C 3.37Å; Y14-R17 PolarHBondContact O-N 3.35Å; Y14-I25 HydrophobicContact CD2-CD1 4.35Å
15	V	62.8	Low	57.3	Low	108 Å²	108	100 Å²	100	66%	0.655	50%	0.497	S	S	*	.	H	α-helix	trans	-63.9	-42	176.2	173.6	0	0	0	0	111.9	L11 L12	L11-V15 WeakPolarHBondContact O-CG2 3.36Å; L11-V15 PolarHBondContact O-N 3.43Å; L12-V15 PolarHBondContact O-N 2.95Å
16	K	62.9	Low	57.8	Low	173 Å²	173	93.6 Å²	93.6	75%	0.752	48%	0.475	S	S	*	.	H	α-helix	trans	-75.6	-23.2	-179.4	-75.3	-172.3	175.8	-170.2	0	114.1	L12 T13	L12-K16 WeakPolarHBondContact O-CB 3.41Å; L12-K16 WeakPolarHBondContact O-CG 3.47Å; L12-K16 PolarHBondContact O-N 3.41Å; T13-K16 PolarHBondContact O-N 3.17Å
17	R	61.5	Low	57.9	Low	157 Å²	157	99.9 Å²	99.9	59%	0.592	49%	0.491	S	S	*	.			trans	-140.9	82.4	-176.2	-68.6	-172.6	178.8	-176.4	2	109.8	T13 Y14 T19 L20	T13-R17 PolarHBondContact O-N 3.25Å; Y14-R17 CarbonylContact O-C 3.37Å; Y14-R17 PolarHBondContact O-N 3.35Å; R17-T19 PolarHBondContact O-N 3.4Å; R17-T19 VanDerWaalsContact O-N 3.11Å; R17-L20 HydrophobicContact CB-CB 4.3Å; R17-L20 HydrophobicContact CB-CD1 3.68Å; R17-L20 HydrophobicContact CB-CG 3.87Å; R17-L20 HydrophobicContact CG-CD1 4.24Å; R17-L20 WeakPolarHBondContact O-CB 3.43Å; R17-L20 PolarHBondContact O-N 3.37Å
18	P	59.1	Low	58	Low	102 Å²	102	103.7 Å²	103.7	66%	0.662	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.8	-178.3	22.6	-32	0	0	0	113.7	L20	P18-L20 VanDerWaalsContact C-N 3.28Å; P18-L20 PolarHBondContact O-N 3.32Å
19	T	68.1	Low	57.9	Low	125 Å²	125	96.6 Å²	96.6	77%	0.767	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-16.5	173.7	56.6	0	0	0	0	113.4	R17 T21	R17-T19 PolarHBondContact O-N 3.4Å; R17-T19 VanDerWaalsContact O-N 3.11Å; T19-T21 PolarHBondContact O-N 2.83Å; T19-T21 VanDerWaalsContact O-N 3.13Å
20	L	57.3	Low	57.6	Low	42 Å²	42	94.6 Å²	94.6	22%	0.22	50%	0.495	C	S	.	.	S	Bend	trans	-78.4	97.9	173.4	-71.8	177.3	0	0	0	109.4	T13 R17 P18 H24 I25	T13-L20 HydrophobicContact CG2-CD1 3.78Å; R17-L20 HydrophobicContact CB-CB 4.3Å; R17-L20 HydrophobicContact CB-CD1 3.68Å; R17-L20 HydrophobicContact CB-CG 3.87Å; R17-L20 HydrophobicContact CG-CD1 4.24Å; R17-L20 WeakPolarHBondContact O-CB 3.43Å; R17-L20 PolarHBondContact O-N 3.37Å; P18-L20 VanDerWaalsContact C-N 3.28Å; P18-L20 PolarHBondContact O-N 3.32Å; L20-H24 HydrophobicContact CD2-CB 4.01Å; L20-I25 HydrophobicContact CB-CD1 4.3Å; L20-I25 HydrophobicContact CB-CG1 4.26Å
21	T	58.5	Low	57.2	Low	75 Å²	75	98.2 Å²	98.2	46%	0.46	51%	0.506	S	S	.	.			trans	-58	148.5	170.3	60.6	0	0	0	0	110.5	T19 H23 H24	T19-T21 PolarHBondContact O-N 2.83Å; T19-T21 VanDerWaalsContact O-N 3.13Å; T21-H23 PolarHBondContact O-N 3.05Å; T21-H24 PolarHBondContact O-N 3.06Å; T21-H24 PolarHBondContact OG1-CE1 3.06Å; T21-H24 PolarHBondContact OG1-ND1 3.36Å
22	A	56.5	Low	56.5	Low	58 Å²	58	96.8 Å²	96.8	48%	0.479	49%	0.493	S	S	.	.	H	α-helix	trans	-49.1	-32.5	178.5	0	0	0	0	0	112.5	H24 I25 L26	A22-H24 PolarHBondContact O-N 3.15Å; A22-I25 PolarHBondContact O-N 2.88Å; A22-L26 HydrophobicContact CB-CD1 4.37Å; A22-L26 WeakPolarHBondContact O-CB 3.24Å; A22-L26 WeakPolarHBondContact O-CG 3.33Å; A22-L26 PolarHBondContact O-N 3.45Å
23	H	55.5	Low	56.1	Low	123 Å²	123	101.3 Å²	101.3	57%	0.569	51%	0.51	S	S	*	.	H	α-helix	trans	-56.9	-43.6	174.9	-175.1	-94.6	0	0	0	113.6	T21 I25 L26 R27	T21-H23 PolarHBondContact O-N 3.05Å; H23-I25 VanDerWaalsContact C-N 3.3Å; H23-I25 PolarHBondContact O-N 2.87Å; H23-L26 PolarHBondContact O-N 3.37Å; H23-R27 WeakPolarHBondContact O-CB 3.33Å; H23-R27 PolarHBondContact O-N 3.43Å; H23-R27 VanDerWaalsContact O-N 3.09Å
24	H	58.3	Low	55.4	Low	105 Å²	105	104.9 Å²	104.9	49%	0.486	53%	0.526	S	S	.	.	H	α-helix	trans	-65.7	-34.2	177.8	-68.2	109.4	0	0	0	112.6	L20 T21 A22 P28	L20-H24 HydrophobicContact CD2-CB 4.01Å; T21-H24 PolarHBondContact O-N 3.06Å; T21-H24 PolarHBondContact OG1-CE1 3.06Å; T21-H24 PolarHBondContact OG1-ND1 3.36Å; A22-H24 PolarHBondContact O-N 3.15Å; H24-P28 VanDerWaalsContact O-CD 3.3Å; H24-P28 WeakPolarHBondContact O-CD 3.43Å
25	I	56.8	Low	55	Low	25 Å²	25	103.1 Å²	103.1	13%	0.128	53%	0.525	C	S	.	.	H	α-helix	trans	-80.5	-29.5	-177.8	-52.2	170.7	0	0	0	111.3	I10 Y14 L20 A22 H23 P28	I10-I25 HydrophobicContact CB-CG2 3.91Å; I10-I25 HydrophobicContact CD1-CG2 4.07Å; I10-I25 HydrophobicContact CG1-CG2 3.65Å; I10-I25 HydrophobicContact CG2-CB 4.47Å; I10-I25 HydrophobicContact CG2-CG2 3.62Å; Y14-I25 HydrophobicContact CD2-CD1 4.35Å; L20-I25 HydrophobicContact CB-CD1 4.3Å; L20-I25 HydrophobicContact CB-CG1 4.26Å; A22-I25 PolarHBondContact O-N 2.88Å; H23-I25 VanDerWaalsContact C-N 3.3Å; H23-I25 PolarHBondContact O-N 2.87Å; I25-P28 WeakPolarHBondContact O-CD 3.28Å
26	L	53.5	Low	54	Low	53 Å²	53	100.2 Å²	100.2	28%	0.277	51%	0.506	S	S	.	.	H	α-helix	trans	-85.1	-23	-179.8	-65.9	171.2	0	0	0	113.2	I10 A22 H23 C29 W32	I10-L26 HydrophobicContact CD1-CD2 4.34Å; A22-L26 HydrophobicContact CB-CD1 4.37Å; A22-L26 WeakPolarHBondContact O-CB 3.24Å; A22-L26 WeakPolarHBondContact O-CG 3.33Å; A22-L26 PolarHBondContact O-N 3.45Å; H23-L26 PolarHBondContact O-N 3.37Å; L26-C29 PolarHBondContact O-N 3.48Å; L26-C29 VanDerWaalsContact O-N 3.1Å; L26-W32 HydrophobicContact CD1-CE3 4.33Å; L26-W32 HydrophobicContact CD1-CZ3 3.81Å; L26-W32 HydrophobicContact CD2-CD2 4.2Å; L26-W32 HydrophobicContact CD2-CE3 3.75Å; L26-W32 HydrophobicContact CD2-CH2 4.42Å; L26-W32 HydrophobicContact CD2-CZ3 3.87Å; L26-W32 HydrophobicContact CG-CE3 4.48Å; L26-W32 HydrophobicContact CG-CZ3 4.41Å
27	R	53.1	Low	53.2	Low	198 Å²	198	96.9 Å²	96.9	75%	0.747	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-40.8	-179.6	-140.5	178.9	-175.2	-151.8	0.8	114.6	H23 C29	H23-R27 WeakPolarHBondContact O-CB 3.33Å; H23-R27 PolarHBondContact O-N 3.43Å; H23-R27 VanDerWaalsContact O-N 3.09Å; R27-C29 PolarHBondContact O-N 3.01Å
28	P	52.8	Low	52.3	Low	105 Å²	105	95.1 Å²	95.1	68%	0.682	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-15.5	176.5	-16.9	30.1	0	0	0	113.7	H24 I25 S30	H24-P28 VanDerWaalsContact O-CD 3.3Å; H24-P28 WeakPolarHBondContact O-CD 3.43Å; I25-P28 WeakPolarHBondContact O-CD 3.28Å; P28-S30 PolarHBondContact O-N 3.32Å
29	C	52.7	Low	51.5	Low	46 Å²	46	94.1 Å²	94.1	31%	0.311	49%	0.487	S	S	.	.			trans	-92.5	73.7	-179.2	-158.4	0	0	0	0	110.7	L26 R27 R31 W32 K33	L26-C29 PolarHBondContact O-N 3.48Å; L26-C29 VanDerWaalsContact O-N 3.1Å; R27-C29 PolarHBondContact O-N 3.01Å; C29-R31 PolarHBondContact O-N 2.78Å; C29-R31 VanDerWaalsContact O-N 3.17Å; C29-W32 HydrophobicContact CB-CB 3.96Å; C29-W32 PolarHBondContact O-N 3.35Å; C29-K33 PolarHBondContact O-N 2.98Å
30	S	50.1	Low	50.2	Low	87 Å²	87	92.3 Å²	92.3	61%	0.608	47%	0.469	S	S	*	.	H	α-helix	trans	-52.1	-33.8	172.4	50.2	0	0	0	0	112.8	P28 W32 K33 L34	P28-S30 PolarHBondContact O-N 3.32Å; S30-W32 VanDerWaalsContact C-N 3.34Å; S30-W32 PolarHBondContact O-N 3.44Å; S30-K33 PolarHBondContact O-N 2.87Å; S30-L34 PolarHBondContact O-N 3.36Å
31	R	49.5	Very low	49.5	Very low	113 Å²	113	96.5 Å²	96.5	43%	0.426	49%	0.487	S	S	.	.	H	α-helix	trans	-66	-29.1	173.9	-76.6	-174.7	69.3	171.2	-3.4	114.3	T2 C29 N35	T2-R31 PolarHBondContact OG1-NH1 2.95Å; C29-R31 PolarHBondContact O-N 2.78Å; C29-R31 VanDerWaalsContact O-N 3.17Å; R31-N35 WeakPolarHBondContact O-CB 3.05Å; R31-N35 PolarHBondContact O-N 3.2Å; R31-N35 VanDerWaalsContact O-N 3.13Å
32	W	45.4	Very low	48.5	Very low	90 Å²	90	99.3 Å²	99.3	34%	0.341	49%	0.49	S	S	.	.	H	α-helix	trans	-75.9	-37.5	179.2	-150.5	67.5	0	0	0	111.5	L26 C29 S30 L34 N35 N36	L26-W32 HydrophobicContact CD1-CE3 4.33Å; L26-W32 HydrophobicContact CD1-CZ3 3.81Å; L26-W32 HydrophobicContact CD2-CD2 4.2Å; L26-W32 HydrophobicContact CD2-CE3 3.75Å; L26-W32 HydrophobicContact CD2-CH2 4.42Å; L26-W32 HydrophobicContact CD2-CZ3 3.87Å; L26-W32 HydrophobicContact CG-CE3 4.48Å; L26-W32 HydrophobicContact CG-CZ3 4.41Å; C29-W32 HydrophobicContact CB-CB 3.96Å; C29-W32 PolarHBondContact O-N 3.35Å; S30-W32 VanDerWaalsContact C-N 3.34Å; S30-W32 PolarHBondContact O-N 3.44Å; W32-L34 VanDerWaalsContact C-N 3.33Å; W32-L34 PolarHBondContact O-N 2.94Å; W32-N35 PolarHBondContact O-N 3.23Å; W32-N36 WeakPolarHBondContact CH2-ND2 3.41Å; W32-N36 VanDerWaalsContact CZ3-ND2 3.26Å; W32-N36 WeakPolarHBondContact CZ3-ND2 3.47Å; W32-N36 PolarHBondContact O-N 3.19Å
33	K	46.8	Very low	47.8	Very low	164 Å²	164	100.4 Å²	100.4	71%	0.713	49%	0.488	S	S	*	.	H	α-helix	trans	-61	-42.6	175.6	-156.8	177.3	-174.7	-175.4	0	111.3	C29 S30 T37	C29-K33 PolarHBondContact O-N 2.98Å; S30-K33 PolarHBondContact O-N 2.87Å; K33-T37 PolarHBondContact O-N 2.87Å; K33-T37 PolarHBondContact O-OG1 3.48Å
34	L	45.5	Very low	47.3	Very low	129 Å²	129	98.2 Å²	98.2	68%	0.675	48%	0.483	S	S	*	.	H	α-helix	trans	-68	-43.8	176.7	-75.3	166.5	0	0	0	112.7	S30 W32 H38	S30-L34 PolarHBondContact O-N 3.36Å; W32-L34 VanDerWaalsContact C-N 3.33Å; W32-L34 PolarHBondContact O-N 2.94Å; L34-H38 PolarHBondContact O-N 2.77Å
35	N	48.3	Very low	46.8	Very low	87 Å²	87	98.8 Å²	98.8	47%	0.465	49%	0.494	S	S	.	.	H	α-helix	trans	-69	-36.9	-179.8	-92.9	22	0	0	0	112.9	R31 W32 N39	R31-N35 WeakPolarHBondContact O-CB 3.05Å; R31-N35 PolarHBondContact O-N 3.2Å; R31-N35 VanDerWaalsContact O-N 3.13Å; W32-N35 PolarHBondContact O-N 3.23Å; N35-N39 VanDerWaalsContact O-CB 3.3Å; N35-N39 WeakPolarHBondContact O-CB 3.46Å; N35-N39 PolarHBondContact O-N 3.38Å; N35-N39 PolarHBondContact O-ND2 2.98Å
36	N	41.3	Very low	46.7	Very low	48 Å²	48	102.6 Å²	102.6	26%	0.257	52%	0.519	S	S	.	.	H	α-helix	trans	-69.7	-45.5	-179	-94.6	5.2	0	0	0	112	W32 H38 N39 F40	W32-N36 WeakPolarHBondContact CH2-ND2 3.41Å; W32-N36 VanDerWaalsContact CZ3-ND2 3.26Å; W32-N36 WeakPolarHBondContact CZ3-ND2 3.47Å; W32-N36 PolarHBondContact O-N 3.19Å; N36-H38 VanDerWaalsContact C-N 3.26Å; N36-H38 PolarHBondContact O-N 3.06Å; N36-N39 PolarHBondContact O-N 2.96Å; N36-F40 WeakPolarHBondContact O-CB 3.49Å; N36-F40 PolarHBondContact O-N 3.05Å
37	T	45.8	Very low	46.7	Very low	102 Å²	102	102.1 Å²	102.1	63%	0.626	52%	0.516	S	S	*	.	H	α-helix	trans	-61.5	-38.9	179.6	-40.9	0	0	0	0	111.4	K33 H41	K33-T37 PolarHBondContact O-N 2.87Å; K33-T37 PolarHBondContact O-OG1 3.48Å; T37-H41 WeakPolarHBondContact O-CB 3.37Å; T37-H41 PolarHBondContact O-N 3.12Å
38	H	43.8	Very low	47	Very low	121 Å²	121	96.9 Å²	96.9	56%	0.56	51%	0.508	S	S	*	.	H	α-helix	trans	-71.3	-47.1	177.9	-141.9	73.6	0	0	0	112	L34 N36 F40 Y42	L34-H38 PolarHBondContact O-N 2.77Å; N36-H38 VanDerWaalsContact C-N 3.26Å; N36-H38 PolarHBondContact O-N 3.06Å; H38-F40 PolarHBondContact O-N 3.2Å; H38-Y42 AromaticContact CE1-CE2 3.62Å; H38-Y42 AromaticContact ND1-CE2 3.95Å; H38-Y42 AromaticContact NE2-CE2 3.69Å; H38-Y42 VanDerWaalsContact O-CD2 3.26Å; H38-Y42 WeakPolarHBondContact O-CD2 3.46Å; H38-Y42 PolarHBondContact O-N 2.86Å
39	N	41.4	Very low	47.5	Very low	80 Å²	80	101.7 Å²	101.7	43%	0.428	51%	0.513	S	S	.	.	H	α-helix	trans	-71	-29.6	-178.2	-72	-62.1	0	0	0	113.7	N35 N36 N43	N35-N39 VanDerWaalsContact O-CB 3.3Å; N35-N39 WeakPolarHBondContact O-CB 3.46Å; N35-N39 PolarHBondContact O-N 3.38Å; N35-N39 PolarHBondContact O-ND2 2.98Å; N36-N39 PolarHBondContact O-N 2.96Å; N39-N43 PolarHBondContact O-ND2 3.03Å
40	F	42.1	Very low	48.4	Very low	87 Å²	87	110.5 Å²	110.5	38%	0.382	54%	0.539	S	S	.	.	H	α-helix	trans	-73.9	-37.8	177.6	-114.3	-101.2	0	0	0	112.5	N36 H38 H88	N36-F40 WeakPolarHBondContact O-CB 3.49Å; N36-F40 PolarHBondContact O-N 3.05Å; H38-F40 PolarHBondContact O-N 3.2Å; F40-H88 AromaticContact CE1-CE1 3.35Å; F40-H88 WeakPolarHBondContact CE1-CE1 3.43Å; F40-H88 AromaticContact CE1-ND1 3.64Å; F40-H88 AromaticContact CZ-CE1 3.65Å
41	H	41.1	Very low	49.7	Very low	130 Å²	130	107.7 Å²	107.7	60%	0.602	52%	0.519	S	S	*	.	H	α-helix	trans	-72.5	-31	-175.2	-164.3	70.3	0	0	0	112.9	T37	T37-H41 WeakPolarHBondContact O-CB 3.37Å; T37-H41 PolarHBondContact O-N 3.12Å
42	Y	38.1	Very low	51.1	Low	135 Å²	135	110.1 Å²	110.1	53%	0.529	54%	0.536	S	S	.	.	H	α-helix	trans	-92.6	-25.9	-173	-76.3	-72.8	0	0	0	115.5	H38	H38-Y42 AromaticContact CE1-CE2 3.62Å; H38-Y42 AromaticContact ND1-CE2 3.95Å; H38-Y42 AromaticContact NE2-CE2 3.69Å; H38-Y42 VanDerWaalsContact O-CD2 3.26Å; H38-Y42 WeakPolarHBondContact O-CD2 3.46Å; H38-Y42 PolarHBondContact O-N 2.86Å
43	N	41.9	Very low	52.7	Low	80 Å²	80	110.7 Å²	110.7	43%	0.428	54%	0.542	S	S	.	.	S	Bend	trans	-96.2	-12.3	-159	-65.6	-4	0	0	0	116.3	N39 L47	N39-N43 PolarHBondContact O-ND2 3.03Å; N43-L47 VanDerWaalsContact O-CD1 3.23Å; N43-L47 WeakPolarHBondContact O-CD1 3.36Å
44	T	44.1	Very low	54	Low	78 Å²	78	105.9 Å²	105.9	48%	0.479	52%	0.52	S	S	.	.	S	Bend	trans	-136.1	-29.2	-174	40.9	0	0	0	0	116.3
45	T	49.8	Very low	55.5	Low	116 Å²	116	103.4 Å²	103.4	71%	0.712	51%	0.506	S	S	*	.	S	Bend	trans	-81.8	-23.3	-174.4	2.8	0	0	0	0	114.2
46	T	53.6	Low	57.2	Low	106 Å²	106	106.7 Å²	106.7	65%	0.65	51%	0.512	S	S	*	.	S	Bend	trans	-108.7	-10.3	-173.3	56	0	0	0	0	114.3	P48	T46-P48 WeakPolarHBondContact O-CD 3.38Å
47	L	53.1	Low	59.1	Low	43 Å²	43	106.2 Å²	106.2	23%	0.225	51%	0.51	C	S	.	.	S	Bend	trans	-67.9	126.9	179.1	-73	173.3	0	0	0	109.3	N43 R49 E53 I57	N43-L47 VanDerWaalsContact O-CD1 3.23Å; N43-L47 WeakPolarHBondContact O-CD1 3.36Å; L47-R49 PolarHBondContact O-N 3.2Å; L47-E53 HydrophobicContact CD1-CB 4.34Å; L47-E53 HydrophobicContact CD1-CG 3.99Å; L47-E53 HydrophobicContact CD2-CB 4.44Å; L47-I57 HydrophobicContact CD1-CD1 3.94Å
48	P	60.4	Low	60.7	Low	88 Å²	88	105.3 Å²	105.3	57%	0.571	50%	0.498	S	S	*	.			trans	-53.2	134.6	170.2	-22.8	31.3	0	0	0	108.8	T46 R50 S51	T46-P48 WeakPolarHBondContact O-CD 3.38Å; P48-R50 PolarHBondContact O-N 3.42Å; P48-S51 WeakPolarHBondContact O-CB 3.48Å; P48-S51 PolarHBondContact O-N 2.95Å; P48-S51 PolarHBondContact O-OG 2.95Å
49	R	62.5	Low	62.6	Low	206 Å²	206	108 Å²	108	78%	0.777	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-16.1	179.2	-173.2	173.6	172.6	151.2	-1.1	113.8	L47 Y54	L47-R49 PolarHBondContact O-N 3.2Å; R49-Y54 HydrophobicContact CG-CE1 3.95Å; R49-Y54 WeakPolarHBondContact O-CD1 3.49Å; R49-Y54 WeakPolarHBondContact O-CE1 3.19Å
50	R	70.9	Confident	64.6	Low	231 Å²	231	106.3 Å²	106.3	87%	0.872	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	3.9	177.5	-74.9	-172.6	175.6	176	-0.8	115	P48	P48-R50 PolarHBondContact O-N 3.42Å
51	S	77.4	Confident	66.6	Low	27 Å²	27	106.8 Å²	106.8	19%	0.189	50%	0.501	C	S	.	.			trans	-67.3	144.9	176.6	73.2	0	0	0	0	110.6	P48 E53 Y54 I55	P48-S51 WeakPolarHBondContact O-CB 3.48Å; P48-S51 PolarHBondContact O-N 2.95Å; P48-S51 PolarHBondContact O-OG 2.95Å; S51-E53 PolarHBondContact O-N 3.49Å; S51-Y54 WeakPolarHBondContact O-CB 3.16Å; S51-Y54 PolarHBondContact O-N 3.44Å; S51-Y54 VanDerWaalsContact O-N 3.12Å; S51-Y54 VanDerWaalsContact OG-CB 3.29Å; S51-Y54 WeakPolarHBondContact OG-CB 3.3Å; S51-Y54 PolarHBondContact OG-N 2.58Å; S51-Y54 VanDerWaalsContact OG-N 3.09Å; S51-I55 WeakPolarHBondContact O-CG1 3.39Å; S51-I55 PolarHBondContact O-N 2.66Å
52	E	80.9	Confident	68.7	Low	165 Å²	165	108 Å²	108	77%	0.771	51%	0.505	S	S	*	.	H	α-helix	trans	-57.2	-33.7	176.1	-66.8	179.6	179.9	0	0	111.8	I55 R56	E52-I55 PolarHBondContact O-N 2.81Å; E52-R56 WeakPolarHBondContact O-CB 3.49Å; E52-R56 PolarHBondContact O-N 3.43Å
53	E	78	Confident	70.9	Confident	101 Å²	101	106 Å²	106	47%	0.472	50%	0.502	S	S	.	.	H	α-helix	trans	-66.7	-44.3	176	-172	146.6	-155.9	0	0	112.5	L47 S51 I55 R56 I57	L47-E53 HydrophobicContact CD1-CB 4.34Å; L47-E53 HydrophobicContact CD1-CG 3.99Å; L47-E53 HydrophobicContact CD2-CB 4.44Å; S51-E53 PolarHBondContact O-N 3.49Å; E53-I55 VanDerWaalsContact C-N 3.34Å; E53-I55 PolarHBondContact O-N 3.31Å; E53-R56 WeakPolarHBondContact O-CB 3.39Å; E53-R56 PolarHBondContact O-N 3.09Å; E53-I57 HydrophobicContact CG-CD1 4.05Å; E53-I57 VanDerWaalsContact O-CG1 3.3Å; E53-I57 WeakPolarHBondContact O-CG1 3.38Å; E53-I57 PolarHBondContact O-N 3.46Å
54	Y	74.7	Confident	72.9	Confident	64 Å²	64	107.1 Å²	107.1	25%	0.251	51%	0.505	S	S	.	.	H	α-helix	trans	-59.3	-45.5	173.7	179.7	-91.1	0	0	0	111.4	R49 S51 R56 I57 Q58	R49-Y54 HydrophobicContact CG-CE1 3.95Å; R49-Y54 WeakPolarHBondContact O-CD1 3.49Å; R49-Y54 WeakPolarHBondContact O-CE1 3.19Å; S51-Y54 WeakPolarHBondContact O-CB 3.16Å; S51-Y54 PolarHBondContact O-N 3.44Å; S51-Y54 VanDerWaalsContact O-N 3.12Å; S51-Y54 VanDerWaalsContact OG-CB 3.29Å; S51-Y54 WeakPolarHBondContact OG-CB 3.3Å; S51-Y54 PolarHBondContact OG-N 2.58Å; S51-Y54 VanDerWaalsContact OG-N 3.09Å; Y54-R56 VanDerWaalsContact C-N 3.31Å; Y54-R56 PolarHBondContact O-N 2.73Å; Y54-I57 PolarHBondContact O-N 3.2Å; Y54-Q58 HydrophobicContact CD1-CG 4.02Å; Y54-Q58 HydrophobicContact CE1-CG 3.6Å; Y54-Q58 HydrophobicContact CE2-CG 4.38Å; Y54-Q58 WeakPolarHBondContact O-CB 3.37Å; Y54-Q58 VanDerWaalsContact O-CG 3.31Å; Y54-Q58 WeakPolarHBondContact O-CG 3.27Å; Y54-Q58 PolarHBondContact O-N 2.91Å; Y54-Q58 PolarHBondContact OH-NE2 2.8Å
55	I	77.4	Confident	74.7	Confident	76 Å²	76	107.8 Å²	107.8	39%	0.39	50%	0.501	S	S	.	.	H	α-helix	trans	-61	-41.5	177.8	-65.1	169.9	0	0	0	110.8	S51 E52 E53 Q58 R59	S51-I55 WeakPolarHBondContact O-CG1 3.39Å; S51-I55 PolarHBondContact O-N 2.66Å; E52-I55 PolarHBondContact O-N 2.81Å; E53-I55 VanDerWaalsContact C-N 3.34Å; E53-I55 PolarHBondContact O-N 3.31Å; I55-Q58 PolarHBondContact O-N 3.43Å; I55-R59 WeakPolarHBondContact O-CG 3.47Å; I55-R59 PolarHBondContact O-N 3.3Å
56	R	83.8	Confident	76.3	Confident	156 Å²	156	107.4 Å²	107.4	59%	0.589	49%	0.491	S	S	*	.	H	α-helix	trans	-64.3	-43.8	178.2	-164.9	-168.7	-29.8	-175.7	11.2	112.1	E52 E53 Y54 R59 S60	E52-R56 WeakPolarHBondContact O-CB 3.49Å; E52-R56 PolarHBondContact O-N 3.43Å; E53-R56 WeakPolarHBondContact O-CB 3.39Å; E53-R56 PolarHBondContact O-N 3.09Å; Y54-R56 VanDerWaalsContact C-N 3.31Å; Y54-R56 PolarHBondContact O-N 2.73Å; R56-R59 PolarHBondContact O-N 3.21Å; R56-S60 PolarHBondContact O-N 3.12Å; R56-S60 PolarHBondContact O-OG 2.95Å
57	I	81.1	Confident	77.9	Confident	39 Å²	39	107.5 Å²	107.5	20%	0.2	48%	0.484	C	S	.	.	H	α-helix	trans	-62.5	-45.5	176.4	-68.4	165.8	0	0	0	110.3	L47 E53 Y54 R59 S60 Q61	L47-I57 HydrophobicContact CD1-CD1 3.94Å; E53-I57 HydrophobicContact CG-CD1 4.05Å; E53-I57 VanDerWaalsContact O-CG1 3.3Å; E53-I57 WeakPolarHBondContact O-CG1 3.38Å; E53-I57 PolarHBondContact O-N 3.46Å; Y54-I57 PolarHBondContact O-N 3.2Å; I57-R59 PolarHBondContact O-N 3.08Å; I57-S60 PolarHBondContact O-N 3.43Å; I57-S60 PolarHBondContact O-OG 3.44Å; I57-Q61 HydrophobicContact CG2-CG 4.34Å; I57-Q61 WeakPolarHBondContact O-CB 3.34Å; I57-Q61 VanDerWaalsContact O-CG 3.27Å; I57-Q61 WeakPolarHBondContact O-CG 3.47Å; I57-Q61 PolarHBondContact O-N 3.38Å
58	Q	78.6	Confident	79.4	Confident	83 Å²	83	108.3 Å²	108.3	39%	0.388	49%	0.488	S	S	.	.	H	α-helix	trans	-62.2	-42	177.8	-73	-67.7	-32.4	0	0	112.3	Y54 I55 K62	Y54-Q58 HydrophobicContact CD1-CG 4.02Å; Y54-Q58 HydrophobicContact CE1-CG 3.6Å; Y54-Q58 HydrophobicContact CE2-CG 4.38Å; Y54-Q58 WeakPolarHBondContact O-CB 3.37Å; Y54-Q58 VanDerWaalsContact O-CG 3.31Å; Y54-Q58 WeakPolarHBondContact O-CG 3.27Å; Y54-Q58 PolarHBondContact O-N 2.91Å; Y54-Q58 PolarHBondContact OH-NE2 2.8Å; I55-Q58 PolarHBondContact O-N 3.43Å; Q58-K62 PolarHBondContact O-N 2.9Å
59	R	82.9	Confident	80.6	Confident	178 Å²	178	106 Å²	106	67%	0.672	47%	0.472	S	S	*	.	H	α-helix	trans	-62.9	-46.1	175.4	-75.2	179.1	-178	-176.6	1.8	112	I55 R56 I57 K62 I63	I55-R59 WeakPolarHBondContact O-CG 3.47Å; I55-R59 PolarHBondContact O-N 3.3Å; R56-R59 PolarHBondContact O-N 3.21Å; I57-R59 PolarHBondContact O-N 3.08Å; R59-K62 PolarHBondContact O-N 2.9Å; R59-I63 WeakPolarHBondContact O-CG1 3.41Å; R59-I63 PolarHBondContact O-N 3.2Å
60	S	85	Confident	81.8	Confident	44 Å²	44	102.9 Å²	102.9	31%	0.308	47%	0.467	S	S	.	.	H	α-helix	trans	-66.4	-40.4	179.9	67.4	0	0	0	0	111.8	R56 I57 K62 I63 H64	R56-S60 PolarHBondContact O-N 3.12Å; R56-S60 PolarHBondContact O-OG 2.95Å; I57-S60 PolarHBondContact O-N 3.43Å; I57-S60 PolarHBondContact O-OG 3.44Å; S60-K62 VanDerWaalsContact C-N 3.33Å; S60-K62 PolarHBondContact O-N 3.08Å; S60-I63 PolarHBondContact O-N 2.97Å; S60-H64 WeakPolarHBondContact O-CB 3.34Å; S60-H64 PolarHBondContact O-N 3.35Å; S60-H64 PolarHBondContact O-ND1 3.35Å
61	Q	82.8	Confident	82.7	Confident	97 Å²	97	99.1 Å²	99.1	45%	0.453	46%	0.456	S	S	.	.	H	α-helix	trans	-58.2	-44.3	173	-75.7	177.3	-8.5	0	0	111.8	I57 H64 K65	I57-Q61 HydrophobicContact CG2-CG 4.34Å; I57-Q61 WeakPolarHBondContact O-CB 3.34Å; I57-Q61 VanDerWaalsContact O-CG 3.27Å; I57-Q61 WeakPolarHBondContact O-CG 3.47Å; I57-Q61 PolarHBondContact O-N 3.38Å; Q61-H64 PolarHBondContact O-N 3Å; Q61-K65 WeakPolarHBondContact O-CB 3.23Å; Q61-K65 PolarHBondContact O-N 3.28Å
62	K	84.9	Confident	83.3	Confident	154 Å²	154	104 Å²	104	67%	0.67	47%	0.471	S	S	*	.	H	α-helix	trans	-60.5	-46	176.3	-173.2	178.8	179.8	-178.9	0	112.1	Q58 R59 S60 K65 Q66	Q58-K62 PolarHBondContact O-N 2.9Å; R59-K62 PolarHBondContact O-N 2.9Å; S60-K62 VanDerWaalsContact C-N 3.33Å; S60-K62 PolarHBondContact O-N 3.08Å; K62-K65 PolarHBondContact O-N 3.33Å; K62-Q66 PolarHBondContact O-N 3.27Å; K62-Q66 VanDerWaalsContact O-N 3.08Å
63	I	84.8	Confident	83.4	Confident	95 Å²	95	97.7 Å²	97.7	49%	0.487	45%	0.451	S	S	.	.	H	α-helix	trans	-63.4	-47.8	178.8	-67.3	165.8	0	0	0	110.7	R59 S60 K65 Q66 Q67	R59-I63 WeakPolarHBondContact O-CG1 3.41Å; R59-I63 PolarHBondContact O-N 3.2Å; S60-I63 PolarHBondContact O-N 2.97Å; I63-K65 VanDerWaalsContact C-N 3.34Å; I63-K65 PolarHBondContact O-N 3.1Å; I63-Q66 PolarHBondContact O-N 3.07Å; I63-Q67 WeakPolarHBondContact O-CG 3.46Å; I63-Q67 PolarHBondContact O-N 2.91Å
64	H	84.4	Confident	83.9	Confident	102 Å²	102	99.8 Å²	99.8	47%	0.472	46%	0.461	S	S	.	.	H	α-helix	trans	-63.2	-39.5	179.1	-64.1	148.4	0	0	0	112.2	S60 Q61 Q66 Q67 I68	S60-H64 WeakPolarHBondContact O-CB 3.34Å; S60-H64 PolarHBondContact O-N 3.35Å; S60-H64 PolarHBondContact O-ND1 3.35Å; Q61-H64 PolarHBondContact O-N 3Å; H64-Q66 VanDerWaalsContact C-N 3.32Å; H64-Q66 PolarHBondContact O-N 3.44Å; H64-Q67 PolarHBondContact O-N 3.17Å; H64-I68 VanDerWaalsContact O-CG1 3.27Å; H64-I68 WeakPolarHBondContact O-CG1 3.46Å; H64-I68 PolarHBondContact O-N 3.15Å
65	K	82.1	Confident	84.6	Confident	93 Å²	93	103.9 Å²	103.9	40%	0.404	48%	0.482	S	S	.	.	H	α-helix	trans	-57.7	-47.6	173.8	-179.4	178.3	-177.5	156.1	0	110.8	Q61 K62 I63 Q67 I68 V69 E81	Q61-K65 WeakPolarHBondContact O-CB 3.23Å; Q61-K65 PolarHBondContact O-N 3.28Å; K62-K65 PolarHBondContact O-N 3.33Å; I63-K65 VanDerWaalsContact C-N 3.34Å; I63-K65 PolarHBondContact O-N 3.1Å; K65-Q67 PolarHBondContact O-N 3.34Å; K65-I68 PolarHBondContact O-N 3.16Å; K65-V69 WeakPolarHBondContact O-CG2 3.49Å; K65-V69 PolarHBondContact O-N 2.92Å; K65-E81 WeakPolarHBondContact CD-OE1 3.4Å; K65-E81 WeakPolarHBondContact CE-OE1 3.36Å; K65-E81 WeakPolarHBondContact CE-OE2 3.22Å; K65-E81 IonicContact NZ-OE1 2.66Å; K65-E81 PolarHBondContact NZ-OE1 2.67Å; K65-E81 IonicContact NZ-OE2 2.81Å; K65-E81 PolarHBondContact NZ-OE2 3.03Å
66	Q	84	Confident	85	Confident	108 Å²	108	104.8 Å²	104.8	51%	0.505	48%	0.484	S	S	.	.	H	α-helix	trans	-62.5	-42.8	178.9	-173.5	154.5	5.9	0	0	112.1	K62 I63 H64 I68 V69 E70	K62-Q66 PolarHBondContact O-N 3.27Å; K62-Q66 VanDerWaalsContact O-N 3.08Å; I63-Q66 PolarHBondContact O-N 3.07Å; H64-Q66 VanDerWaalsContact C-N 3.32Å; H64-Q66 PolarHBondContact O-N 3.44Å; Q66-I68 VanDerWaalsContact C-N 3.3Å; Q66-I68 PolarHBondContact O-N 3.48Å; Q66-V69 PolarHBondContact O-N 3.36Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.38Å; Q66-E70 WeakPolarHBondContact O-CG 3.27Å; Q66-E70 PolarHBondContact O-N 3.31Å
67	Q	87.1	Confident	85.1	Confident	108 Å²	108	97.6 Å²	97.6	51%	0.505	46%	0.458	S	S	.	.	H	α-helix	trans	-60.9	-37	174.3	-71	176.5	-18.1	0	0	113.2	I63 H64 K65 K71	I63-Q67 WeakPolarHBondContact O-CG 3.46Å; I63-Q67 PolarHBondContact O-N 2.91Å; H64-Q67 PolarHBondContact O-N 3.17Å; K65-Q67 PolarHBondContact O-N 3.34Å; Q67-K71 VanDerWaalsContact O-CB 3.24Å; Q67-K71 WeakPolarHBondContact O-CB 3.35Å; Q67-K71 PolarHBondContact O-N 3.19Å
68	I	83.1	Confident	85.3	Confident	59 Å²	59	101.7 Å²	101.7	30%	0.303	48%	0.477	S	S	.	.	H	α-helix	trans	-67.2	-44	175.9	-68.2	165.1	0	0	0	110.3	H64 K65 Q66 K71 Y72 F76 A77	H64-I68 VanDerWaalsContact O-CG1 3.27Å; H64-I68 WeakPolarHBondContact O-CG1 3.46Å; H64-I68 PolarHBondContact O-N 3.15Å; K65-I68 PolarHBondContact O-N 3.16Å; Q66-I68 VanDerWaalsContact C-N 3.3Å; Q66-I68 PolarHBondContact O-N 3.48Å; I68-K71 PolarHBondContact O-N 2.91Å; I68-Y72 HydrophobicContact CG2-CD2 4.19Å; I68-Y72 WeakPolarHBondContact O-CB 3.39Å; I68-Y72 PolarHBondContact O-N 3.44Å; I68-F76 HydrophobicContact CG2-CD1 4.03Å; I68-F76 HydrophobicContact CG2-CE1 4.31Å; I68-A77 HydrophobicContact CG2-CB 3.93Å
69	V	85.9	Confident	85.7	Confident	39 Å²	39	100.6 Å²	100.6	24%	0.236	48%	0.476	C	S	.	.	H	α-helix	trans	-60.8	-47.6	176.6	170.4	0	0	0	0	111	K65 Q66 K71 G73 E74 A77	K65-V69 WeakPolarHBondContact O-CG2 3.49Å; K65-V69 PolarHBondContact O-N 2.92Å; Q66-V69 PolarHBondContact O-N 3.36Å; V69-K71 VanDerWaalsContact C-N 3.3Å; V69-K71 PolarHBondContact O-N 3.45Å; V69-G73 CarbonylContact O-C 3.59Å; V69-G73 WeakPolarHBondContact O-CA 3.48Å; V69-G73 PolarHBondContact O-N 3.44Å; V69-E74 HydrophobicContact CG1-CG 3.56Å; V69-A77 HydrophobicContact CG2-CB 3.51Å
70	E	87.2	Confident	85.7	Confident	142 Å²	142	94.6 Å²	94.6	66%	0.664	46%	0.459	S	S	*	.	H	α-helix	trans	-61.7	-37.7	178.9	-74	171.4	-173.4	0	0	112.3	Q66	Q66-E70 WeakPolarHBondContact CG-OE1 3.38Å; Q66-E70 WeakPolarHBondContact O-CG 3.27Å; Q66-E70 PolarHBondContact O-N 3.31Å
71	K	91.2	Very high	85.5	Confident	151 Å²	151	95.9 Å²	95.9	66%	0.657	46%	0.46	S	S	*	.	H	α-helix	trans	-86.2	-34.7	-174.9	-171.9	171.2	-179.5	-177.7	0	114.4	Q67 I68 V69	Q67-K71 VanDerWaalsContact O-CB 3.24Å; Q67-K71 WeakPolarHBondContact O-CB 3.35Å; Q67-K71 PolarHBondContact O-N 3.19Å; I68-K71 PolarHBondContact O-N 2.91Å; V69-K71 VanDerWaalsContact C-N 3.3Å; V69-K71 PolarHBondContact O-N 3.45Å
72	Y	89.3	Confident	85.5	Confident	129 Å²	129	98.3 Å²	98.3	51%	0.506	47%	0.469	S	S	.	.	H	α-helix	trans	-123.7	-4.4	-170.5	-59.3	-74.8	0	0	0	113.9	I68 F76	I68-Y72 HydrophobicContact CG2-CD2 4.19Å; I68-Y72 WeakPolarHBondContact O-CB 3.39Å; I68-Y72 PolarHBondContact O-N 3.44Å; Y72-F76 HydrophobicContact CD2-CD1 4.15Å; Y72-F76 HydrophobicContact CD2-CE1 4.07Å; Y72-F76 AromaticContact CG-CD1 3.81Å; Y72-F76 HydrophobicContact CG-CD1 3.81Å; Y72-F76 AromaticContact CG-CE1 3.97Å; Y72-F76 HydrophobicContact CG-CE1 3.97Å; Y72-F76 HydrophobicContact CG-CG 4.45Å; Y72-F76 WeakPolarHBondContact O-CB 3.26Å
73	G	83.3	Confident	85.3	Confident	34 Å²	34	98 Å²	98	35%	0.351	47%	0.468	S	S	.	.			trans	84.5	158.4	-175.6	0	0	0	0	0	113.8	V69 H75 F76 A77	V69-G73 CarbonylContact O-C 3.59Å; V69-G73 WeakPolarHBondContact O-CA 3.48Å; V69-G73 PolarHBondContact O-N 3.44Å; G73-H75 VanDerWaalsContact C-N 3.35Å; G73-H75 PolarHBondContact O-N 3.17Å; G73-F76 PolarHBondContact O-N 3.4Å; G73-A77 PolarHBondContact O-N 2.94Å
74	E	88.6	Confident	84.9	Confident	145 Å²	145	96.7 Å²	96.7	68%	0.678	46%	0.464	S	S	*	.	H	α-helix	trans	-59.9	-41.7	-177.3	-67.5	-177.8	169.3	0	0	113.1	V69 F76 A77 M78	V69-E74 HydrophobicContact CG1-CG 3.56Å; E74-F76 VanDerWaalsContact C-N 3.31Å; E74-F76 PolarHBondContact O-N 3.37Å; E74-A77 WeakPolarHBondContact O-CB 3.31Å; E74-A77 PolarHBondContact O-N 3.42Å; E74-A77 VanDerWaalsContact O-N 3.17Å; E74-M78 PolarHBondContact O-N 3.45Å
75	H	88.1	Confident	84.5	Confident	150 Å²	150	96.3 Å²	96.3	69%	0.694	47%	0.466	S	S	*	.	H	α-helix	trans	-60	-42.2	-179.2	-179.5	-96.3	0	0	0	111.8	G73 M78 V79	G73-H75 VanDerWaalsContact C-N 3.35Å; G73-H75 PolarHBondContact O-N 3.17Å; H75-M78 PolarHBondContact O-N 3.31Å; H75-V79 WeakPolarHBondContact O-CG2 3.33Å; H75-V79 PolarHBondContact O-N 2.97Å; H75-V79 VanDerWaalsContact O-N 3.16Å
76	F	86.9	Confident	84.1	Confident	95 Å²	95	95.5 Å²	95.5	42%	0.417	47%	0.466	S	S	.	.	H	α-helix	trans	-65.6	-44.3	176.6	-179	-96	0	0	0	111.4	I68 Y72 G73 E74 M78 V79 V80	I68-F76 HydrophobicContact CG2-CD1 4.03Å; I68-F76 HydrophobicContact CG2-CE1 4.31Å; Y72-F76 HydrophobicContact CD2-CD1 4.15Å; Y72-F76 HydrophobicContact CD2-CE1 4.07Å; Y72-F76 AromaticContact CG-CD1 3.81Å; Y72-F76 HydrophobicContact CG-CD1 3.81Å; Y72-F76 AromaticContact CG-CE1 3.97Å; Y72-F76 HydrophobicContact CG-CE1 3.97Å; Y72-F76 HydrophobicContact CG-CG 4.45Å; Y72-F76 WeakPolarHBondContact O-CB 3.26Å; G73-F76 PolarHBondContact O-N 3.4Å; E74-F76 VanDerWaalsContact C-N 3.31Å; E74-F76 PolarHBondContact O-N 3.37Å; F76-M78 VanDerWaalsContact C-N 3.33Å; F76-M78 PolarHBondContact O-N 2.93Å; F76-V79 PolarHBondContact O-N 3.36Å; F76-V80 HydrophobicContact CD1-CG2 4.1Å; F76-V80 HydrophobicContact CE1-CG2 3.66Å; F76-V80 HydrophobicContact CE2-CG2 4.36Å; F76-V80 HydrophobicContact CZ-CG2 3.81Å; F76-V80 WeakPolarHBondContact O-CG2 3.49Å; F76-V80 PolarHBondContact O-N 2.91Å
77	A	85.4	Confident	83.3	Confident	5 Å²	5	96.6 Å²	96.6	4%	0.041	47%	0.466	C	S	.	.	H	α-helix	trans	-57.2	-46.1	177.6	0	0	0	0	0	111.6	I68 V69 G73 E74 V79 V80 E81	I68-A77 HydrophobicContact CG2-CB 3.93Å; V69-A77 HydrophobicContact CG2-CB 3.51Å; G73-A77 PolarHBondContact O-N 2.94Å; E74-A77 WeakPolarHBondContact O-CB 3.31Å; E74-A77 PolarHBondContact O-N 3.42Å; E74-A77 VanDerWaalsContact O-N 3.17Å; A77-V79 PolarHBondContact O-N 3.35Å; A77-V80 PolarHBondContact O-N 2.94Å; A77-E81 WeakPolarHBondContact O-CG 3.08Å; A77-E81 PolarHBondContact O-N 3.33Å
78	M	85.7	Confident	82.1	Confident	125 Å²	125	94.9 Å²	94.9	62%	0.616	46%	0.458	S	S	*	.	H	α-helix	trans	-60.4	-42.2	176.8	-78.7	-177.9	51.9	0	0	113.2	E74 H75 F76 V80 E81 K82	E74-M78 PolarHBondContact O-N 3.45Å; H75-M78 PolarHBondContact O-N 3.31Å; F76-M78 VanDerWaalsContact C-N 3.33Å; F76-M78 PolarHBondContact O-N 2.93Å; M78-V80 VanDerWaalsContact C-N 3.31Å; M78-V80 PolarHBondContact O-N 3.4Å; M78-E81 PolarHBondContact O-N 2.97Å; M78-K82 WeakPolarHBondContact O-CB 3.36Å; M78-K82 PolarHBondContact O-N 3.4Å
79	V	86.6	Confident	81.2	Confident	59 Å²	59	97 Å²	97	36%	0.358	47%	0.469	S	S	.	.	H	α-helix	trans	-64.6	-38.2	178.5	171.4	0	0	0	0	111.1	H75 F76 A77 K83	H75-V79 WeakPolarHBondContact O-CG2 3.33Å; H75-V79 PolarHBondContact O-N 2.97Å; H75-V79 VanDerWaalsContact O-N 3.16Å; F76-V79 PolarHBondContact O-N 3.36Å; A77-V79 PolarHBondContact O-N 3.35Å; V79-K83 WeakPolarHBondContact O-CG 3.29Å; V79-K83 PolarHBondContact O-N 3.44Å; V79-K83 VanDerWaalsContact O-N 3.15Å
80	V	82.3	Confident	80.3	Confident	52 Å²	52	103 Å²	103	32%	0.315	49%	0.493	S	S	.	.	H	α-helix	trans	-66.8	-47.7	175.8	173.9	0	0	0	0	110.9	F76 A77 M78 K82 K83 V84	F76-V80 HydrophobicContact CD1-CG2 4.1Å; F76-V80 HydrophobicContact CE1-CG2 3.66Å; F76-V80 HydrophobicContact CE2-CG2 4.36Å; F76-V80 HydrophobicContact CZ-CG2 3.81Å; F76-V80 WeakPolarHBondContact O-CG2 3.49Å; F76-V80 PolarHBondContact O-N 2.91Å; A77-V80 PolarHBondContact O-N 2.94Å; M78-V80 VanDerWaalsContact C-N 3.31Å; M78-V80 PolarHBondContact O-N 3.4Å; V80-K82 PolarHBondContact O-N 3.33Å; V80-K83 PolarHBondContact O-N 3.32Å; V80-K83 VanDerWaalsContact O-N 3.12Å; V80-V84 HydrophobicContact CG1-CG2 4.43Å; V80-V84 WeakPolarHBondContact O-CG2 3.3Å; V80-V84 PolarHBondContact O-N 2.74Å
81	E	81.2	Confident	79.2	Confident	72 Å²	72	100.5 Å²	100.5	34%	0.336	48%	0.482	S	S	.	.	H	α-helix	trans	-56.2	-50.3	177	-74.2	-169.6	141.9	0	0	111.4	K65 A77 M78 K83 V84 D85	K65-E81 WeakPolarHBondContact CD-OE1 3.4Å; K65-E81 WeakPolarHBondContact CE-OE1 3.36Å; K65-E81 WeakPolarHBondContact CE-OE2 3.22Å; K65-E81 IonicContact NZ-OE1 2.66Å; K65-E81 PolarHBondContact NZ-OE1 2.67Å; K65-E81 IonicContact NZ-OE2 2.81Å; K65-E81 PolarHBondContact NZ-OE2 3.03Å; A77-E81 WeakPolarHBondContact O-CG 3.08Å; A77-E81 PolarHBondContact O-N 3.33Å; M78-E81 PolarHBondContact O-N 2.97Å; E81-K83 PolarHBondContact O-N 3.41Å; E81-V84 WeakPolarHBondContact O-CB 3.49Å; E81-V84 PolarHBondContact O-N 2.92Å; E81-D85 PolarHBondContact O-N 3.38Å
82	K	83	Confident	77.4	Confident	147 Å²	147	99.7 Å²	99.7	64%	0.639	49%	0.486	S	S	*	.	H	α-helix	trans	-58.9	-35.8	178.2	-171.4	173.7	-176.5	176.5	0	112.5	M78 V80 N86	M78-K82 WeakPolarHBondContact O-CB 3.36Å; M78-K82 PolarHBondContact O-N 3.4Å; V80-K82 PolarHBondContact O-N 3.33Å; K82-N86 WeakPolarHBondContact O-CB 3.45Å; K82-N86 VanDerWaalsContact O-CG 3.3Å; K82-N86 PolarHBondContact O-N 2.97Å; K82-N86 PolarHBondContact O-ND2 3.13Å
83	K	80.7	Confident	75.5	Confident	148 Å²	148	102.4 Å²	102.4	64%	0.643	51%	0.509	S	S	*	.	H	α-helix	trans	-69.9	-39	176.1	-79.8	-179.3	179.9	179	0	112.1	V79 V80 E81 Y87	V79-K83 WeakPolarHBondContact O-CG 3.29Å; V79-K83 PolarHBondContact O-N 3.44Å; V79-K83 VanDerWaalsContact O-N 3.15Å; V80-K83 PolarHBondContact O-N 3.32Å; V80-K83 VanDerWaalsContact O-N 3.12Å; E81-K83 PolarHBondContact O-N 3.41Å; K83-Y87 WeakPolarHBondContact O-CB 3.5Å; K83-Y87 PolarHBondContact O-N 3.36Å
84	V	77.6	Confident	75.2	Confident	67 Å²	67	105.9 Å²	105.9	41%	0.406	52%	0.517	S	S	.	.	H	α-helix	trans	-64.9	-48.7	176	172.3	0	0	0	0	109.9	V80 E81 N86 Y87 H88	V80-V84 HydrophobicContact CG1-CG2 4.43Å; V80-V84 WeakPolarHBondContact O-CG2 3.3Å; V80-V84 PolarHBondContact O-N 2.74Å; E81-V84 WeakPolarHBondContact O-CB 3.49Å; E81-V84 PolarHBondContact O-N 2.92Å; V84-N86 VanDerWaalsContact C-N 3.34Å; V84-N86 PolarHBondContact O-N 3.38Å; V84-Y87 WeakPolarHBondContact O-CA 3.5Å; V84-Y87 WeakPolarHBondContact O-CB 3.49Å; V84-Y87 PolarHBondContact O-N 2.92Å; V84-H88 WeakPolarHBondContact CG1-NE2 3.3Å; V84-H88 PolarHBondContact O-CD2 3.06Å; V84-H88 PolarHBondContact O-N 3.23Å
85	D	74.3	Confident	74.5	Confident	95 Å²	95	103.8 Å²	103.8	51%	0.508	51%	0.508	S	S	.	.	H	α-helix	trans	-59	-44.6	177.7	-68.3	-21.5	0	0	0	112	E81 Y87 H88 L89	E81-D85 PolarHBondContact O-N 3.38Å; D85-Y87 VanDerWaalsContact C-N 3.27Å; D85-Y87 PolarHBondContact O-N 3.28Å; D85-H88 PolarHBondContact O-N 3.43Å; D85-L89 WeakPolarHBondContact O-CG 3.26Å; D85-L89 PolarHBondContact O-N 3.12Å
86	N	73.7	Confident	73.7	Confident	76 Å²	76	101.2 Å²	101.2	41%	0.406	50%	0.498	S	S	.	.	H	α-helix	trans	-62.3	-33.9	175	-80.7	-53.5	0	0	0	112.8	K82 V84 K90	K82-N86 WeakPolarHBondContact O-CB 3.45Å; K82-N86 VanDerWaalsContact O-CG 3.3Å; K82-N86 PolarHBondContact O-N 2.97Å; K82-N86 PolarHBondContact O-ND2 3.13Å; V84-N86 VanDerWaalsContact C-N 3.34Å; V84-N86 PolarHBondContact O-N 3.38Å; N86-K90 WeakPolarHBondContact O-CG 3.35Å; N86-K90 PolarHBondContact O-N 3.21Å; N86-K90 VanDerWaalsContact O-N 3.12Å
87	Y	68.8	Low	72.9	Confident	130 Å²	130	101.6 Å²	101.6	51%	0.51	50%	0.503	S	S	.	.	H	α-helix	trans	-68.9	-40.3	175.7	-173.6	-98.4	0	0	0	111.3	K83 V84 D85 K90 I91	K83-Y87 WeakPolarHBondContact O-CB 3.5Å; K83-Y87 PolarHBondContact O-N 3.36Å; V84-Y87 WeakPolarHBondContact O-CA 3.5Å; V84-Y87 WeakPolarHBondContact O-CB 3.49Å; V84-Y87 PolarHBondContact O-N 2.92Å; D85-Y87 VanDerWaalsContact C-N 3.27Å; D85-Y87 PolarHBondContact O-N 3.28Å; Y87-K90 PolarHBondContact O-N 2.95Å; Y87-I91 HydrophobicContact CD1-CD1 3.71Å; Y87-I91 HydrophobicContact CE1-CD1 3.23Å; Y87-I91 HydrophobicContact CE1-CG1 4.39Å; Y87-I91 WeakPolarHBondContact O-CG1 3.23Å; Y87-I91 PolarHBondContact O-N 3.5Å
88	H	61.3	Low	72.1	Confident	72 Å²	72	107.6 Å²	107.6	33%	0.333	53%	0.532	S	S	.	.	H	α-helix	trans	-63.7	-44.5	173.6	-72.2	-73.9	0	0	0	112.3	F40 V84 D85 K90 I91 N92	F40-H88 AromaticContact CE1-CE1 3.35Å; F40-H88 WeakPolarHBondContact CE1-CE1 3.43Å; F40-H88 AromaticContact CE1-ND1 3.64Å; F40-H88 AromaticContact CZ-CE1 3.65Å; V84-H88 WeakPolarHBondContact CG1-NE2 3.3Å; V84-H88 PolarHBondContact O-CD2 3.06Å; V84-H88 PolarHBondContact O-N 3.23Å; D85-H88 PolarHBondContact O-N 3.43Å; H88-K90 VanDerWaalsContact C-N 3.28Å; H88-K90 PolarHBondContact O-N 3.22Å; H88-I91 PolarHBondContact O-N 3.46Å; H88-I91 VanDerWaalsContact O-N 3.16Å; H88-N92 PolarHBondContact O-N 2.82Å; H88-N92 VanDerWaalsContact O-N 3.15Å
89	L	63.8	Low	71.2	Confident	104 Å²	104	106.5 Å²	106.5	55%	0.545	53%	0.526	S	S	.	.	H	α-helix	trans	-61.2	-35.1	176.7	-71.5	171.5	0	0	0	112.7	D85 I91 N93	D85-L89 WeakPolarHBondContact O-CG 3.26Å; D85-L89 PolarHBondContact O-N 3.12Å; L89-I91 VanDerWaalsContact C-N 3.34Å; L89-N93 WeakPolarHBondContact O-CB 3.43Å; L89-N93 PolarHBondContact O-N 3.09Å; L89-N93 PolarHBondContact O-ND2 2.81Å
90	K	67.8	Low	70.1	Confident	166 Å²	166	109.9 Å²	109.9	72%	0.722	54%	0.538	S	S	*	.	H	α-helix	trans	-74.8	-18.2	176.7	-77.3	-175.9	-177.4	-172	0	114.9	N86 Y87 H88	N86-K90 WeakPolarHBondContact O-CG 3.35Å; N86-K90 PolarHBondContact O-N 3.21Å; N86-K90 VanDerWaalsContact O-N 3.12Å; Y87-K90 PolarHBondContact O-N 2.95Å; H88-K90 VanDerWaalsContact C-N 3.28Å; H88-K90 PolarHBondContact O-N 3.22Å
91	I	63.7	Low	69.2	Low	88 Å²	88	114.3 Å²	114.3	45%	0.451	56%	0.555	S	S	.	*	H	α-helix	trans	-88.9	-32.3	176.5	-71	172.5	0	0	0	110.6	Y87 H88 L89	Y87-I91 HydrophobicContact CD1-CD1 3.71Å; Y87-I91 HydrophobicContact CE1-CD1 3.23Å; Y87-I91 HydrophobicContact CE1-CG1 4.39Å; Y87-I91 WeakPolarHBondContact O-CG1 3.23Å; Y87-I91 PolarHBondContact O-N 3.5Å; H88-I91 PolarHBondContact O-N 3.46Å; H88-I91 VanDerWaalsContact O-N 3.16Å; L89-I91 VanDerWaalsContact C-N 3.34Å
92	N	53.5	Low	68.2	Low	135 Å²	135	117.8 Å²	117.8	72%	0.722	57%	0.573	S	S	*	*	H	α-helix	trans	-84.7	-17.7	-178.7	-68.4	-2.5	0	0	0	113.6	H88	H88-N92 PolarHBondContact O-N 2.82Å; H88-N92 VanDerWaalsContact O-N 3.15Å
93	N	50.1	Low	66.9	Low	186 Å²	186	115.2 Å²	115.2	100%	0.995	57%	0.567	S	S	*	*			trans	-99	0	169.5	-71.2	-32.7	0	0	0	110.2	L89	L89-N93 WeakPolarHBondContact O-CB 3.43Å; L89-N93 PolarHBondContact O-N 3.09Å; L89-N93 PolarHBondContact O-ND2 2.81Å

Retrieved 93 of 93 residues in 37.4 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).