A0A3Q0KTZ2_SCHMA Loading...

Venom peptide

AlphaFold DB , UniProt , Accession A0A3Q0KTZ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 65 aa.

						>A0A3Q0KTZ2_SCHMA|A0A3Q0KTZ2
MFLLIALMLVLVSVFQNPYMEVHGGGGSRLSVGLGGHLADRLHNASVELAKDKVNKTLMDKYGRR
					

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(Predicted Aligned Error values between residue pairs)

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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	66.1	Low	74.9	Confident	203 Å²	203	115 Å²	115	100%	1	60%	0.596	S	S	*	*				0	-45.2	0	-81.1	-174.3	138.7	0	0	113.3	L3 L4	M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.48Å; M1-L4 PolarHBondContact O-N 2.79Å
2	F	72	Confident	74.5	Confident	170 Å²	170	111.3 Å²	111.3	75%	0.746	58%	0.582	S	S	*	*	H	α-helix	trans	-57.2	-38.6	-179.7	-171.9	-100.3	0	0	0	114.4	L4 I5 A6	F2-L4 VanDerWaalsContact C-N 3.33Å; F2-L4 PolarHBondContact O-N 3.46Å; F2-I5 PolarHBondContact O-N 3.5Å; F2-A6 PolarHBondContact O-N 3.06Å
3	L	76.3	Confident	73.8	Confident	145 Å²	145	108.3 Å²	108.3	76%	0.759	58%	0.576	S	S	*	*	H	α-helix	trans	-59.6	-39.7	-179.6	-168.1	65.6	0	0	0	113.4	M1 L7	M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.48Å; L3-L7 WeakPolarHBondContact O-CB 3.46Å; L3-L7 PolarHBondContact O-N 2.98Å
4	L	74.1	Confident	73.2	Confident	123 Å²	123	107.3 Å²	107.3	64%	0.644	58%	0.575	S	S	*	*	H	α-helix	trans	-69.8	-36.6	178.7	-70.9	169.9	0	0	0	111.7	M1 F2 L7 M8	M1-L4 PolarHBondContact O-N 2.79Å; F2-L4 VanDerWaalsContact C-N 3.33Å; F2-L4 PolarHBondContact O-N 3.46Å; L4-L7 PolarHBondContact O-N 3.47Å; L4-M8 WeakPolarHBondContact O-CG 3.16Å; L4-M8 PolarHBondContact O-N 2.72Å
5	I	75.6	Confident	72.5	Confident	100 Å²	100	112.2 Å²	112.2	51%	0.513	59%	0.59	S	S	.	*	H	α-helix	trans	-66.8	-44.3	177.8	-61.3	167.8	0	0	0	109.8	F2 L7 M8 L9	F2-I5 PolarHBondContact O-N 3.5Å; I5-L7 VanDerWaalsContact C-N 3.35Å; I5-L7 PolarHBondContact O-N 3.45Å; I5-M8 PolarHBondContact O-N 3.48Å; I5-L9 HydrophobicContact CG2-CD1 4.12Å; I5-L9 WeakPolarHBondContact O-CG 3.47Å; I5-L9 PolarHBondContact O-N 2.88Å
6	A	75.7	Confident	71.8	Confident	35 Å²	35	114.2 Å²	114.2	29%	0.289	60%	0.595	S	S	.	*	H	α-helix	trans	-61.5	-42.8	175.5	0	0	0	0	0	111.8	F2 M8 L9 V10	F2-A6 PolarHBondContact O-N 3.06Å; A6-M8 PolarHBondContact O-N 3.34Å; A6-L9 PolarHBondContact O-N 2.95Å; A6-V10 WeakPolarHBondContact O-CG2 3.34Å; A6-V10 PolarHBondContact O-N 3.3Å
7	L	78.1	Confident	70.6	Confident	101 Å²	101	112.7 Å²	112.7	53%	0.529	59%	0.588	S	S	.	*	H	α-helix	trans	-60.9	-44.9	176.6	-165.1	88.8	0	0	0	111.9	L3 L4 I5 V10 L11	L3-L7 WeakPolarHBondContact O-CB 3.46Å; L3-L7 PolarHBondContact O-N 2.98Å; L4-L7 PolarHBondContact O-N 3.47Å; I5-L7 VanDerWaalsContact C-N 3.35Å; I5-L7 PolarHBondContact O-N 3.45Å; L7-V10 PolarHBondContact O-N 2.86Å; L7-L11 HydrophobicContact CD2-CD1 4.47Å; L7-L11 HydrophobicContact CG-CD1 4.37Å; L7-L11 PolarHBondContact O-N 3.37Å
8	M	76.5	Confident	69.6	Low	109 Å²	109	113.1 Å²	113.1	54%	0.537	60%	0.598	S	S	.	*	H	α-helix	trans	-63.7	-40.7	176.9	-74	-69	111.9	0	0	112	L4 I5 A6 L11 V12	L4-M8 WeakPolarHBondContact O-CG 3.16Å; L4-M8 PolarHBondContact O-N 2.72Å; I5-M8 PolarHBondContact O-N 3.48Å; A6-M8 PolarHBondContact O-N 3.34Å; M8-L11 HydrophobicContact CE-CD1 3.67Å; M8-L11 PolarHBondContact O-N 2.85Å; M8-V12 VanDerWaalsContact O-CG2 3.31Å; M8-V12 WeakPolarHBondContact O-CG2 3.45Å; M8-V12 PolarHBondContact O-N 3.24Å
9	L	75.6	Confident	68.7	Low	110 Å²	110	116.9 Å²	116.9	58%	0.576	61%	0.606	S	S	*	*	H	α-helix	trans	-63.5	-42.7	176.3	-76.2	166.7	0	0	0	111.9	I5 A6 V12 S13	I5-L9 HydrophobicContact CG2-CD1 4.12Å; I5-L9 WeakPolarHBondContact O-CG 3.47Å; I5-L9 PolarHBondContact O-N 2.88Å; A6-L9 PolarHBondContact O-N 2.95Å; L9-V12 PolarHBondContact O-N 2.78Å; L9-S13 WeakPolarHBondContact O-CB 3.49Å; L9-S13 PolarHBondContact O-N 2.76Å; L9-S13 PolarHBondContact O-OG 3.47Å
10	V	78	Confident	67.7	Low	92 Å²	92	118.8 Å²	118.8	56%	0.558	61%	0.613	S	S	*	*	H	α-helix	trans	-62.3	-44.7	175.6	172.7	0	0	0	0	110.7	A6 L7 V12 S13 V14	A6-V10 WeakPolarHBondContact O-CG2 3.34Å; A6-V10 PolarHBondContact O-N 3.3Å; L7-V10 PolarHBondContact O-N 2.86Å; V10-V12 PolarHBondContact O-N 3.08Å; V10-S13 PolarHBondContact O-N 3.27Å; V10-V14 HydrophobicContact CG1-CG2 4.35Å; V10-V14 VanDerWaalsContact O-CG2 3.29Å; V10-V14 WeakPolarHBondContact O-CG2 3.39Å; V10-V14 PolarHBondContact O-N 3.44Å
11	L	75.7	Confident	66.9	Low	77 Å²	77	120.9 Å²	120.9	40%	0.403	62%	0.62	S	S	.	*	H	α-helix	trans	-58.6	-47.9	175.5	-90.6	152	0	0	0	111.7	L7 M8 S13 V14 F15	L7-L11 HydrophobicContact CD2-CD1 4.47Å; L7-L11 HydrophobicContact CG-CD1 4.37Å; L7-L11 PolarHBondContact O-N 3.37Å; M8-L11 HydrophobicContact CE-CD1 3.67Å; M8-L11 PolarHBondContact O-N 2.85Å; L11-S13 VanDerWaalsContact C-N 3.34Å; L11-S13 PolarHBondContact O-N 2.97Å; L11-V14 PolarHBondContact O-N 3.4Å; L11-F15 HydrophobicContact CD2-CE2 4.27Å; L11-F15 WeakPolarHBondContact O-CD2 3.43Å; L11-F15 PolarHBondContact O-N 2.81Å
12	V	70.3	Confident	66.1	Low	71 Å²	71	118.3 Å²	118.3	43%	0.43	62%	0.615	S	S	.	*	H	α-helix	trans	-61.5	-43	176.6	172	0	0	0	0	110.9	M8 L9 V10 V14 F15 Q16	M8-V12 VanDerWaalsContact O-CG2 3.31Å; M8-V12 WeakPolarHBondContact O-CG2 3.45Å; M8-V12 PolarHBondContact O-N 3.24Å; L9-V12 PolarHBondContact O-N 2.78Å; V10-V12 PolarHBondContact O-N 3.08Å; V12-V14 PolarHBondContact O-N 3.44Å; V12-F15 PolarHBondContact O-N 3.2Å; V12-Q16 HydrophobicContact CG1-CG 4.34Å; V12-Q16 WeakPolarHBondContact O-CB 3.38Å; V12-Q16 VanDerWaalsContact O-CG 3.25Å; V12-Q16 WeakPolarHBondContact O-CG 3.39Å; V12-Q16 PolarHBondContact O-N 2.78Å
13	S	65.1	Low	64.8	Low	72 Å²	72	119.1 Å²	119.1	50%	0.503	62%	0.621	S	S	.	*	H	α-helix	trans	-61.9	-41.6	175.4	-71.6	0	0	0	0	112	L9 V10 L11 Q16 N17	L9-S13 WeakPolarHBondContact O-CB 3.49Å; L9-S13 PolarHBondContact O-N 2.76Å; L9-S13 PolarHBondContact O-OG 3.47Å; V10-S13 PolarHBondContact O-N 3.27Å; L11-S13 VanDerWaalsContact C-N 3.34Å; L11-S13 PolarHBondContact O-N 2.97Å; S13-Q16 CarbonylContact O-C 3.47Å; S13-Q16 PolarHBondContact O-N 2.68Å; S13-N17 WeakPolarHBondContact O-CB 3.38Å; S13-N17 PolarHBondContact O-N 2.83Å
14	V	66.1	Low	63.2	Low	94 Å²	94	115.8 Å²	115.8	57%	0.57	62%	0.622	S	S	*	*	H	α-helix	trans	-64.7	-43.8	176.5	170.8	0	0	0	0	111.3	V10 L11 V12 Q16 N17	V10-V14 HydrophobicContact CG1-CG2 4.35Å; V10-V14 VanDerWaalsContact O-CG2 3.29Å; V10-V14 WeakPolarHBondContact O-CG2 3.39Å; V10-V14 PolarHBondContact O-N 3.44Å; L11-V14 PolarHBondContact O-N 3.4Å; V12-V14 PolarHBondContact O-N 3.44Å; V14-Q16 VanDerWaalsContact C-N 3.26Å; V14-Q16 PolarHBondContact O-N 2.83Å; V14-N17 WeakPolarHBondContact O-CB 3.15Å; V14-N17 PolarHBondContact O-N 3.39Å; V14-N17 VanDerWaalsContact O-N 3.13Å
15	F	62.9	Low	61.6	Low	181 Å²	181	113.8 Å²	113.8	79%	0.794	63%	0.631	S	S	*	*	H	α-helix	trans	-66.6	-28.4	175.4	-90.3	-84.6	0	0	0	112.9	L11 V12	L11-F15 HydrophobicContact CD2-CE2 4.27Å; L11-F15 WeakPolarHBondContact O-CD2 3.43Å; L11-F15 PolarHBondContact O-N 2.81Å; V12-F15 PolarHBondContact O-N 3.2Å
16	Q	61.4	Low	59.9	Low	144 Å²	144	113.1 Å²	113.1	67%	0.673	65%	0.648	S	S	*	*	H	α-helix	trans	-84.9	-11.1	173.4	-71.9	179	6.9	0	0	113.4	V12 S13 V14 P18	V12-Q16 HydrophobicContact CG1-CG 4.34Å; V12-Q16 WeakPolarHBondContact O-CB 3.38Å; V12-Q16 VanDerWaalsContact O-CG 3.25Å; V12-Q16 WeakPolarHBondContact O-CG 3.39Å; V12-Q16 PolarHBondContact O-N 2.78Å; S13-Q16 CarbonylContact O-C 3.47Å; S13-Q16 PolarHBondContact O-N 2.68Å; V14-Q16 VanDerWaalsContact C-N 3.26Å; V14-Q16 PolarHBondContact O-N 2.83Å; Q16-P18 WeakPolarHBondContact O-CD 3.32Å
17	N	49.9	Very low	58.2	Low	89 Å²	89	114.4 Å²	114.4	48%	0.476	67%	0.666	S	S	.	*			trans	-86.4	95.5	-176.6	-162.8	53.2	0	0	0	109.3	S13 V14 Y19	S13-N17 WeakPolarHBondContact O-CB 3.38Å; S13-N17 PolarHBondContact O-N 2.83Å; V14-N17 WeakPolarHBondContact O-CB 3.15Å; V14-N17 PolarHBondContact O-N 3.39Å; V14-N17 VanDerWaalsContact O-N 3.13Å; N17-Y19 HydrophobicContact CB-CD2 4.45Å; N17-Y19 WeakPolarHBondContact ND2-CD2 3.45Å; N17-Y19 PolarHBondContact O-N 2.76Å; N17-Y19 WeakPolarHBondContact OD1-CD2 3.34Å; N17-Y19 WeakPolarHBondContact OD1-CE2 3.33Å
18	P	54.3	Low	56.7	Low	119 Å²	119	115.3 Å²	115.3	77%	0.773	68%	0.68	S	S	*	*			trans	-86.2	66	-174.6	31	-14.3	0	0	0	108.1	Q16	Q16-P18 WeakPolarHBondContact O-CD 3.32Å
19	Y	51.4	Low	55.6	Low	187 Å²	187	121.3 Å²	121.3	73%	0.733	70%	0.697	S	S	*	*			trans	-102.7	68.3	171.7	-78	-101.7	0	0	0	109	N17	N17-Y19 HydrophobicContact CB-CD2 4.45Å; N17-Y19 WeakPolarHBondContact ND2-CD2 3.45Å; N17-Y19 PolarHBondContact O-N 2.76Å; N17-Y19 WeakPolarHBondContact OD1-CD2 3.34Å; N17-Y19 WeakPolarHBondContact OD1-CE2 3.33Å
20	M	48.8	Very low	54.4	Low	153 Å²	153	124.6 Å²	124.6	75%	0.754	71%	0.714	S	S	*	*	S	Bend	trans	-145.1	119	158.2	-77.4	-152.6	79	0	0	110.5
21	E	50.8	Low	53.2	Low	163 Å²	163	125.4 Å²	125.4	76%	0.762	72%	0.724	S	S	*	*			trans	63.2	72	150.4	-65.3	-179.8	117.1	0	0	118.4	H23	E21-H23 VanDerWaalsContact C-N 3.29Å; E21-H23 PolarHBondContact O-N 2.82Å
22	V	49.2	Very low	52.1	Low	149 Å²	149	127.6 Å²	127.6	90%	0.903	74%	0.74	S	S	*	*			trans	-91.6	69.8	151.2	-160.7	0	0	0	0	108.2
23	H	45.2	Very low	51.3	Low	188 Å²	188	126.8 Å²	126.8	87%	0.87	75%	0.746	S	S	*	*			trans	-114	92.9	169.1	-140.9	160.6	0	0	0	107	E21	E21-H23 VanDerWaalsContact C-N 3.29Å; E21-H23 PolarHBondContact O-N 2.82Å
24	G	42.5	Very low	50.8	Low	75 Å²	75	130.1 Å²	130.1	77%	0.773	76%	0.758	S	S	*	*	S	Bend	trans	136.3	84.4	171.4	0	0	0	0	0	115.5
25	G	39.4	Very low	50.3	Low	80 Å²	80	127.8 Å²	127.8	83%	0.825	75%	0.753	S	S	*	*	S	Bend	trans	82.2	71.8	146	0	0	0	0	0	118
26	G	41.9	Very low	50.1	Low	86 Å²	86	120.9 Å²	120.9	89%	0.887	73%	0.732	S	S	*	*			trans	49.7	100.4	151.5	0	0	0	0	0	117.8
27	G	39.3	Very low	50.2	Low	63 Å²	63	119.4 Å²	119.4	65%	0.649	73%	0.725	S	S	*	*			cis	135.8	99.5	20.4	0	0	0	0	0	107.7
28	S	45.6	Very low	50.9	Low	119 Å²	119	120.4 Å²	120.4	83%	0.832	73%	0.73	S	S	*	*			trans	74.1	111.6	164.3	-58.2	0	0	0	0	118.3
29	R	53.3	Low	51.4	Low	235 Å²	235	117.4 Å²	117.4	89%	0.887	72%	0.715	S	S	*	*				156.4	-1	127.6	-81.2	175.9	84.1	-166.3	5.1	117.2
30	L	50.8	Low	52.1	Low	180 Å²	180	113.6 Å²	113.6	94%	0.942	71%	0.708	S	S	*	*	S	Bend	trans	-95.5	-6.6	-171	-76.6	159.4	0	0	0	116.9
31	S	53.2	Low	53.2	Low	108 Å²	108	114.4 Å²	114.4	76%	0.755	70%	0.702	S	S	*	*	S	Bend	trans	-106.7	-14.5	-171.8	-170.2	0	0	0	0	115.8	G33	S31-G33 VanDerWaalsContact C-N 3.32Å; S31-G33 PolarHBondContact O-N 3.22Å
32	V	53.6	Low	54	Low	123 Å²	123	112.3 Å²	112.3	75%	0.745	70%	0.696	S	S	*	*	H	α-helix	trans	-75.5	-20.5	-180	-177.7	0	0	0	0	112.4	G36	V32-G36 WeakPolarHBondContact O-CA 3.35Å; V32-G36 PolarHBondContact O-N 3.47Å
33	G	52.6	Low	55.1	Low	55 Å²	55	111.2 Å²	111.2	57%	0.567	68%	0.681	S	S	*	*	H	α-helix	trans	-69.2	-38.4	-174.5	0	0	0	0	0	114.7	S31 H37	S31-G33 VanDerWaalsContact C-N 3.32Å; S31-G33 PolarHBondContact O-N 3.22Å; G33-H37 VanDerWaalsContact O-CB 3.3Å; G33-H37 WeakPolarHBondContact O-CB 3.32Å; G33-H37 PolarHBondContact O-N 2.96Å; G33-H37 VanDerWaalsContact O-N 3.09Å
34	L	55.2	Low	56.3	Low	141 Å²	141	106.9 Å²	106.9	74%	0.738	66%	0.664	S	S	*	*	H	α-helix	trans	-78.5	-42.8	-176.7	-132.5	106.3	0	0	0	111.7	H37 L38	L34-H37 PolarHBondContact O-N 3.46Å; L34-L38 WeakPolarHBondContact O-CG 3.17Å; L34-L38 PolarHBondContact O-N 2.76Å; L34-L38 VanDerWaalsContact O-N 3.1Å
35	G	55.1	Low	57.7	Low	45 Å²	45	106.1 Å²	106.1	46%	0.464	65%	0.65	S	S	.	*	H	α-helix	trans	-68.7	-40	175.9	0	0	0	0	0	112.2	A39	G35-A39 WeakPolarHBondContact O-CB 3.21Å; G35-A39 PolarHBondContact O-N 3.48Å
36	G	59.4	Low	59.1	Low	36 Å²	36	105.6 Å²	105.6	37%	0.371	63%	0.634	S	S	.	*	H	α-helix	trans	-63.8	-40.4	174.4	0	0	0	0	0	112.5	V32 A39 D40	V32-G36 WeakPolarHBondContact O-CA 3.35Å; V32-G36 PolarHBondContact O-N 3.47Å; G36-A39 PolarHBondContact O-N 2.79Å; G36-D40 WeakPolarHBondContact O-CB 3.2Å; G36-D40 PolarHBondContact O-N 3.36Å
37	H	63.2	Low	60.7	Low	114 Å²	114	103.6 Å²	103.6	53%	0.528	60%	0.604	S	S	.	*	H	α-helix	trans	-71.8	-37.3	179.6	-155.9	30.7	0	0	0	112.7	G33 L34 R41	G33-H37 VanDerWaalsContact O-CB 3.3Å; G33-H37 WeakPolarHBondContact O-CB 3.32Å; G33-H37 PolarHBondContact O-N 2.96Å; G33-H37 VanDerWaalsContact O-N 3.09Å; L34-H37 PolarHBondContact O-N 3.46Å; H37-R41 WeakPolarHBondContact O-CB 3.35Å; H37-R41 WeakPolarHBondContact O-CG 3.12Å; H37-R41 PolarHBondContact O-N 3.49Å
38	L	64.3	Low	62.4	Low	109 Å²	109	107.1 Å²	107.1	57%	0.571	60%	0.604	S	S	*	*	H	α-helix	trans	-69.9	-39.3	172.6	-72.3	168.8	0	0	0	112	L34 R41 L42	L34-L38 WeakPolarHBondContact O-CG 3.17Å; L34-L38 PolarHBondContact O-N 2.76Å; L34-L38 VanDerWaalsContact O-N 3.1Å; L38-R41 PolarHBondContact O-N 2.86Å; L38-L42 WeakPolarHBondContact O-CB 3.42Å; L38-L42 PolarHBondContact O-N 2.99Å
39	A	64.5	Low	63.7	Low	56 Å²	56	106.6 Å²	106.6	46%	0.463	59%	0.591	S	S	.	*	H	α-helix	trans	-65.1	-40	174.7	0	0	0	0	0	111.2	G35 G36 L42 H43	G35-A39 WeakPolarHBondContact O-CB 3.21Å; G35-A39 PolarHBondContact O-N 3.48Å; G36-A39 PolarHBondContact O-N 2.79Å; A39-L42 PolarHBondContact O-N 2.81Å; A39-H43 WeakPolarHBondContact O-CA 3.32Å; A39-H43 WeakPolarHBondContact O-CB 3.24Å; A39-H43 PolarHBondContact O-N 3.4Å
40	D	66.9	Low	64.8	Low	107 Å²	107	97.8 Å²	97.8	57%	0.572	57%	0.568	S	S	*	*	H	α-helix	trans	-66.2	-41.9	175.9	-164.8	-96.2	0	0	0	111.2	G36 H43 N44	G36-D40 WeakPolarHBondContact O-CB 3.2Å; G36-D40 PolarHBondContact O-N 3.36Å; D40-H43 PolarHBondContact O-N 2.73Å; D40-N44 VanDerWaalsContact O-CB 3.23Å; D40-N44 WeakPolarHBondContact O-CB 3.28Å; D40-N44 PolarHBondContact O-N 3.1Å
41	R	70.3	Confident	65.9	Low	170 Å²	170	96 Å²	96	64%	0.642	55%	0.553	S	S	*	*	H	α-helix	trans	-62.4	-47	173.1	-71.1	-83	-175.5	174.7	-0.5	112.2	H37 L38 N44 A45	H37-R41 WeakPolarHBondContact O-CB 3.35Å; H37-R41 WeakPolarHBondContact O-CG 3.12Å; H37-R41 PolarHBondContact O-N 3.49Å; L38-R41 PolarHBondContact O-N 2.86Å; R41-N44 PolarHBondContact O-N 3.17Å; R41-A45 WeakPolarHBondContact O-CB 3.34Å; R41-A45 PolarHBondContact O-N 3.41Å
42	L	68.3	Low	67.2	Low	120 Å²	120	95.7 Å²	95.7	63%	0.628	54%	0.543	S	S	*	.	H	α-helix	trans	-66.1	-39.8	177.2	-92	164.5	0	0	0	111.7	L38 A39 S46	L38-L42 WeakPolarHBondContact O-CB 3.42Å; L38-L42 PolarHBondContact O-N 2.99Å; A39-L42 PolarHBondContact O-N 2.81Å; L42-S46 WeakPolarHBondContact O-CB 3.23Å; L42-S46 PolarHBondContact O-N 3.45Å; L42-S46 PolarHBondContact O-OG 3.41Å
43	H	72.9	Confident	68.1	Low	126 Å²	126	96.2 Å²	96.2	58%	0.583	54%	0.535	S	S	*	.	H	α-helix	trans	-65.7	-46.5	177.2	-169.9	111.4	0	0	0	110	A39 D40 A45 S46 V47	A39-H43 WeakPolarHBondContact O-CA 3.32Å; A39-H43 WeakPolarHBondContact O-CB 3.24Å; A39-H43 PolarHBondContact O-N 3.4Å; D40-H43 PolarHBondContact O-N 2.73Å; H43-A45 PolarHBondContact O-N 3.49Å; H43-S46 PolarHBondContact O-N 3.09Å; H43-V47 WeakPolarHBondContact CD2-CG2 3.46Å; H43-V47 WeakPolarHBondContact NE2-CG2 3.3Å; H43-V47 VanDerWaalsContact O-CB 3.32Å; H43-V47 WeakPolarHBondContact O-CB 3.11Å; H43-V47 VanDerWaalsContact O-CG2 3.24Å; H43-V47 WeakPolarHBondContact O-CG2 3.24Å; H43-V47 PolarHBondContact O-N 3.29Å
44	N	69.5	Low	69.2	Low	97 Å²	97	97.6 Å²	97.6	52%	0.519	53%	0.533	S	S	.	.	H	α-helix	trans	-63.2	-43.6	178.6	-165.1	45.1	0	0	0	111.3	D40 R41 S46 V47 E48	D40-N44 VanDerWaalsContact O-CB 3.23Å; D40-N44 WeakPolarHBondContact O-CB 3.28Å; D40-N44 PolarHBondContact O-N 3.1Å; R41-N44 PolarHBondContact O-N 3.17Å; N44-S46 PolarHBondContact O-N 2.81Å; N44-V47 PolarHBondContact O-N 3.03Å; N44-E48 WeakPolarHBondContact O-CB 3.2Å; N44-E48 PolarHBondContact O-N 3.29Å
45	A	71.5	Confident	70.3	Confident	58 Å²	58	94.6 Å²	94.6	48%	0.479	52%	0.517	S	S	.	.	H	α-helix	trans	-63	-40.7	174.1	0	0	0	0	0	112.4	R41 H43 E48 L49	R41-A45 WeakPolarHBondContact O-CB 3.34Å; R41-A45 PolarHBondContact O-N 3.41Å; H43-A45 PolarHBondContact O-N 3.49Å; A45-E48 PolarHBondContact O-N 2.99Å; A45-L49 WeakPolarHBondContact O-CB 3.04Å; A45-L49 PolarHBondContact O-N 3.49Å
46	S	69.6	Low	71.4	Confident	69 Å²	69	99.7 Å²	99.7	48%	0.483	53%	0.526	S	S	.	.	H	α-helix	trans	-69	-38.8	178.5	-60.4	0	0	0	0	111.9	L42 H43 N44 A50	L42-S46 WeakPolarHBondContact O-CB 3.23Å; L42-S46 PolarHBondContact O-N 3.45Å; L42-S46 PolarHBondContact O-OG 3.41Å; H43-S46 PolarHBondContact O-N 3.09Å; N44-S46 PolarHBondContact O-N 2.81Å; S46-A50 WeakPolarHBondContact O-CB 3.43Å; S46-A50 PolarHBondContact O-N 3.34Å
47	V	75.1	Confident	72.1	Confident	45 Å²	45	101.5 Å²	101.5	27%	0.273	53%	0.531	S	S	.	.	H	α-helix	trans	-69	-39.4	175.8	168.8	0	0	0	0	110.6	H43 N44 A50 K51	H43-V47 WeakPolarHBondContact CD2-CG2 3.46Å; H43-V47 WeakPolarHBondContact NE2-CG2 3.3Å; H43-V47 VanDerWaalsContact O-CB 3.32Å; H43-V47 WeakPolarHBondContact O-CB 3.11Å; H43-V47 VanDerWaalsContact O-CG2 3.24Å; H43-V47 WeakPolarHBondContact O-CG2 3.24Å; H43-V47 PolarHBondContact O-N 3.29Å; N44-V47 PolarHBondContact O-N 3.03Å; V47-A50 PolarHBondContact O-N 3.38Å; V47-K51 HydrophobicContact CG1-CD 4.05Å; V47-K51 HydrophobicContact CG1-CG 4.31Å; V47-K51 VanDerWaalsContact O-CB 3.28Å; V47-K51 WeakPolarHBondContact O-CB 3.39Å; V47-K51 VanDerWaalsContact O-CG 3.24Å; V47-K51 WeakPolarHBondContact O-CG 3.48Å; V47-K51 PolarHBondContact O-N 3.48Å
48	E	74.7	Confident	72.6	Confident	137 Å²	137	100 Å²	100	64%	0.64	53%	0.526	S	S	*	.	H	α-helix	trans	-64.9	-44.6	175.4	-166	171.3	102.5	0	0	111.1	N44 A45 A50 K51 D52	N44-E48 WeakPolarHBondContact O-CB 3.2Å; N44-E48 PolarHBondContact O-N 3.29Å; A45-E48 PolarHBondContact O-N 2.99Å; E48-A50 VanDerWaalsContact C-N 3.34Å; E48-A50 PolarHBondContact O-N 3Å; E48-K51 PolarHBondContact O-N 3.35Å; E48-D52 PolarHBondContact O-N 3.3Å
49	L	74.8	Confident	73	Confident	107 Å²	107	100.7 Å²	100.7	56%	0.56	53%	0.528	S	S	*	.	H	α-helix	trans	-63.7	-39.1	174	-161.9	97.2	0	0	0	112.3	A45 D52 K53	A45-L49 WeakPolarHBondContact O-CB 3.04Å; A45-L49 PolarHBondContact O-N 3.49Å; L49-D52 PolarHBondContact O-N 2.98Å; L49-K53 WeakPolarHBondContact O-CG 3.37Å; L49-K53 PolarHBondContact O-N 3.34Å
50	A	75.4	Confident	73.7	Confident	50 Å²	50	102.9 Å²	102.9	41%	0.413	53%	0.532	S	S	.	.	H	α-helix	trans	-67.4	-42.4	176.2	0	0	0	0	0	111.1	S46 V47 E48 K53 V54	S46-A50 WeakPolarHBondContact O-CB 3.43Å; S46-A50 PolarHBondContact O-N 3.34Å; V47-A50 PolarHBondContact O-N 3.38Å; E48-A50 VanDerWaalsContact C-N 3.34Å; E48-A50 PolarHBondContact O-N 3Å; A50-K53 PolarHBondContact O-N 3Å; A50-V54 WeakPolarHBondContact O-CB 3.4Å; A50-V54 WeakPolarHBondContact O-CG2 3.32Å; A50-V54 PolarHBondContact O-N 3.36Å
51	K	74.6	Confident	73.8	Confident	144 Å²	144	105.1 Å²	105.1	63%	0.626	54%	0.537	S	S	*	.	H	α-helix	trans	-61.4	-43.3	174.5	-80.2	176.2	178.5	178.5	0	111	V47 E48 V54 N55	V47-K51 HydrophobicContact CG1-CD 4.05Å; V47-K51 HydrophobicContact CG1-CG 4.31Å; V47-K51 VanDerWaalsContact O-CB 3.28Å; V47-K51 WeakPolarHBondContact O-CB 3.39Å; V47-K51 VanDerWaalsContact O-CG 3.24Å; V47-K51 WeakPolarHBondContact O-CG 3.48Å; V47-K51 PolarHBondContact O-N 3.48Å; E48-K51 PolarHBondContact O-N 3.35Å; K51-V54 PolarHBondContact O-N 3.48Å; K51-N55 WeakPolarHBondContact O-CB 3.36Å; K51-N55 PolarHBondContact O-N 2.91Å
52	D	79.1	Confident	73.6	Confident	101 Å²	101	105 Å²	105	54%	0.54	54%	0.537	S	S	.	.	H	α-helix	trans	-62.2	-46.9	177.5	-172.9	71.8	0	0	0	111.7	E48 L49 V54 N55 K56	E48-D52 PolarHBondContact O-N 3.3Å; L49-D52 PolarHBondContact O-N 2.98Å; D52-V54 PolarHBondContact O-N 2.87Å; D52-N55 PolarHBondContact O-N 3.23Å; D52-K56 WeakPolarHBondContact O-CB 3.31Å; D52-K56 PolarHBondContact O-N 3.46Å
53	K	73.9	Confident	73.3	Confident	134 Å²	134	102 Å²	102	58%	0.583	54%	0.536	S	S	*	.	H	α-helix	trans	-62.5	-42.7	175.5	-76.2	-176.2	-179.8	-178.2	0	112.8	L49 A50 T57	L49-K53 WeakPolarHBondContact O-CG 3.37Å; L49-K53 PolarHBondContact O-N 3.34Å; A50-K53 PolarHBondContact O-N 3Å; K53-T57 WeakPolarHBondContact O-CB 3.44Å; K53-T57 PolarHBondContact O-N 2.96Å; K53-T57 PolarHBondContact O-OG1 2.92Å
54	V	75.5	Confident	72.7	Confident	84 Å²	84	106.1 Å²	106.1	51%	0.509	55%	0.546	S	S	.	.	H	α-helix	trans	-65.5	-45.3	177.1	169.2	0	0	0	0	110.2	A50 K51 D52 K56 T57 L58	A50-V54 WeakPolarHBondContact O-CB 3.4Å; A50-V54 WeakPolarHBondContact O-CG2 3.32Å; A50-V54 PolarHBondContact O-N 3.36Å; K51-V54 PolarHBondContact O-N 3.48Å; D52-V54 PolarHBondContact O-N 2.87Å; V54-K56 PolarHBondContact O-N 3.34Å; V54-T57 PolarHBondContact O-N 3.22Å; V54-L58 HydrophobicContact CG1-CD1 3.78Å; V54-L58 HydrophobicContact CG1-CG 4.22Å; V54-L58 WeakPolarHBondContact O-CB 3.47Å; V54-L58 WeakPolarHBondContact O-CG 3.34Å; V54-L58 PolarHBondContact O-N 3.13Å
55	N	77.4	Confident	71.9	Confident	78 Å²	78	115.5 Å²	115.5	42%	0.417	57%	0.574	S	S	.	*	H	α-helix	trans	-60.8	-45.4	177.9	-176.2	57.2	0	0	0	111.4	K51 D52 T57 L58 M59	K51-N55 WeakPolarHBondContact O-CB 3.36Å; K51-N55 PolarHBondContact O-N 2.91Å; D52-N55 PolarHBondContact O-N 3.23Å; N55-T57 VanDerWaalsContact C-N 3.34Å; N55-T57 PolarHBondContact O-N 2.83Å; N55-L58 PolarHBondContact O-N 3.4Å; N55-M59 WeakPolarHBondContact O-CB 3.29Å; N55-M59 WeakPolarHBondContact O-CG 3.25Å; N55-M59 PolarHBondContact O-N 2.83Å
56	K	77.8	Confident	71.9	Confident	151 Å²	151	118.4 Å²	118.4	66%	0.657	58%	0.579	S	S	*	*	H	α-helix	trans	-61.4	-41.6	175	-171.6	168.8	-175.3	165	0	112.3	D52 V54 M59 D60	D52-K56 WeakPolarHBondContact O-CB 3.31Å; D52-K56 PolarHBondContact O-N 3.46Å; V54-K56 PolarHBondContact O-N 3.34Å; K56-M59 PolarHBondContact O-N 2.91Å; K56-D60 WeakPolarHBondContact O-CB 3.45Å; K56-D60 PolarHBondContact O-N 3.49Å
57	T	75.9	Confident	72	Confident	75 Å²	75	120.9 Å²	120.9	46%	0.46	58%	0.584	S	S	.	*	H	α-helix	trans	-67.2	-38.3	176.5	-54.5	0	0	0	0	111.8	K53 V54 N55 K61	K53-T57 WeakPolarHBondContact O-CB 3.44Å; K53-T57 PolarHBondContact O-N 2.96Å; K53-T57 PolarHBondContact O-OG1 2.92Å; V54-T57 PolarHBondContact O-N 3.22Å; N55-T57 VanDerWaalsContact C-N 3.34Å; N55-T57 PolarHBondContact O-N 2.83Å; T57-K61 HydrophobicContact CG2-CD 4.5Å; T57-K61 WeakPolarHBondContact O-CB 3.18Å; T57-K61 WeakPolarHBondContact O-CG 3.1Å; T57-K61 PolarHBondContact O-N 3.44Å; T57-K61 VanDerWaalsContact O-N 3.08Å
58	L	73	Confident	71.8	Confident	83 Å²	83	125.2 Å²	125.2	44%	0.435	60%	0.601	S	S	.	*	H	α-helix	trans	-67.7	-44.2	175.7	-76.3	171.7	0	0	0	111	V54 N55 D60 K61 Y62	V54-L58 HydrophobicContact CG1-CD1 3.78Å; V54-L58 HydrophobicContact CG1-CG 4.22Å; V54-L58 WeakPolarHBondContact O-CB 3.47Å; V54-L58 WeakPolarHBondContact O-CG 3.34Å; V54-L58 PolarHBondContact O-N 3.13Å; N55-L58 PolarHBondContact O-N 3.4Å; L58-D60 VanDerWaalsContact C-N 3.33Å; L58-D60 PolarHBondContact O-N 2.86Å; L58-K61 PolarHBondContact O-N 3.26Å; L58-Y62 HydrophobicContact CD2-CD2 3.8Å; L58-Y62 HydrophobicContact CD2-CE2 3.67Å; L58-Y62 WeakPolarHBondContact O-CB 3.07Å; L58-Y62 WeakPolarHBondContact O-CD2 3Å; L58-Y62 PolarHBondContact O-N 3.25Å
59	M	72.4	Confident	71.7	Confident	122 Å²	122	124.5 Å²	124.5	60%	0.601	60%	0.599	S	S	*	*	H	α-helix	trans	-61.8	-40	175.3	-77.1	-172.3	161.6	0	0	112.1	N55 K56 G63	N55-M59 WeakPolarHBondContact O-CB 3.29Å; N55-M59 WeakPolarHBondContact O-CG 3.25Å; N55-M59 PolarHBondContact O-N 2.83Å; K56-M59 PolarHBondContact O-N 2.91Å; M59-G63 WeakPolarHBondContact O-CA 3.08Å; M59-G63 PolarHBondContact O-N 2.91Å
60	D	79.5	Confident	71.5	Confident	103 Å²	103	125.6 Å²	125.6	55%	0.551	60%	0.601	S	S	*	*	H	α-helix	trans	-66.1	-38.3	176.5	-171.5	71.2	0	0	0	112.5	K56 L58	K56-D60 WeakPolarHBondContact O-CB 3.45Å; K56-D60 PolarHBondContact O-N 3.49Å; L58-D60 VanDerWaalsContact C-N 3.33Å; L58-D60 PolarHBondContact O-N 2.86Å
61	K	69.7	Low	71.2	Confident	154 Å²	154	130.6 Å²	130.6	67%	0.67	61%	0.614	S	S	*	*	H	α-helix	trans	-80.6	-35.6	-179.5	-73	-168.9	-179.7	-163.7	0	114.3	T57 L58	T57-K61 HydrophobicContact CG2-CD 4.5Å; T57-K61 WeakPolarHBondContact O-CB 3.18Å; T57-K61 WeakPolarHBondContact O-CG 3.1Å; T57-K61 PolarHBondContact O-N 3.44Å; T57-K61 VanDerWaalsContact O-N 3.08Å; L58-K61 PolarHBondContact O-N 3.26Å
62	Y	65.5	Low	71	Confident	167 Å²	167	129.6 Å²	129.6	66%	0.655	61%	0.613	S	S	*	*	H	α-helix	trans	-112.1	-19.4	-171.9	-68.4	-85.1	0	0	0	113.8	L58 R64	L58-Y62 HydrophobicContact CD2-CD2 3.8Å; L58-Y62 HydrophobicContact CD2-CE2 3.67Å; L58-Y62 WeakPolarHBondContact O-CB 3.07Å; L58-Y62 WeakPolarHBondContact O-CD2 3Å; L58-Y62 PolarHBondContact O-N 3.25Å; Y62-R64 VanDerWaalsContact C-N 3.3Å; Y62-R64 PolarHBondContact O-N 3.4Å
63	G	61.8	Low	70.4	Confident	58 Å²	58	131.8 Å²	131.8	60%	0.598	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	4.5	178.7	0	0	0	0	0	114.9	M59	M59-G63 WeakPolarHBondContact O-CA 3.08Å; M59-G63 PolarHBondContact O-N 2.91Å
64	R	59.7	Low	70.1	Confident	212 Å²	212	131.7 Å²	131.7	80%	0.8	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	14.1	172.4	-101.6	-155.5	-69.2	179.8	-6.3	114.2	Y62	Y62-R64 VanDerWaalsContact C-N 3.3Å; Y62-R64 PolarHBondContact O-N 3.4Å
65	R	52.6	Low	69.6	Low	293 Å²	293	136 Å²	136	100%	1.106	63%	0.632	S	S	*	*			trans	-104.5	0	165.7	-85.6	-176.5	170.1	173.3	-3	109.4

Retrieved 65 of 65 residues in 21.3 ms (Link to these results)

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