A0A913KWK1_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A913KWK1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 70 aa.

						>A0A913KWK1_SCHMA|A0A913KWK1
MKFVSFLVLLIVALFGIVKETECIKNSNTAGGKNSSGAMSFANNAWTWFNKLSGYLCQLKQMFQLTNLSS
					

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(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)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	58.3	Low	73.9	Confident	224 Å²	224	127.6 Å²	127.6	100%	1.103	65%	0.645	S	S	*	*				0	-18.4	0	-64.2	179.5	-179.9	0	114.6
2	K	63.6	Low	74.4	Confident	183 Å²	183	124.9 Å²	124.9	80%	0.796	64%	0.639	S	S	*	*	H	α-helix	trans	-73.4	-30.5	176.4	-72.2	170.4	169.1	160.9	114.6	V4 S5 F6	K2-V4 VanDerWaalsContact C-N 3.35Å; K2-V4 PolarHBondContact O-N 3.27Å; K2-S5 PolarHBondContact O-N 2.86Å; K2-F6 PolarHBondContact O-N 3.15Å
3	F	60.8	Low	74.6	Confident	187 Å²	187	119.3 Å²	119.3	82%	0.82	62%	0.623	S	S	*	*	H	α-helix	trans	-61.7	-36.1	179.7	-92.9	-87.2	0	0	114.1	S5 F6 L7	F3-S5 VanDerWaalsContact C-N 3.32Å; F3-S5 PolarHBondContact O-N 2.91Å; F3-F6 PolarHBondContact O-N 3.48Å; F3-L7 PolarHBondContact O-N 3.39Å
4	V	75.5	Confident	74.7	Confident	101 Å²	101	117.4 Å²	117.4	61%	0.612	61%	0.614	S	S	*	*	H	α-helix	trans	-65.8	-39	179.2	-178.2	0	0	0	110.7	K2 F6 L7 V8	K2-V4 VanDerWaalsContact C-N 3.35Å; K2-V4 PolarHBondContact O-N 3.27Å; V4-F6 VanDerWaalsContact C-N 3.34Å; V4-F6 PolarHBondContact O-N 3.2Å; V4-L7 PolarHBondContact O-N 3.2Å; V4-V8 HydrophobicContact CG1-CG2 4.42Å; V4-V8 VanDerWaalsContact O-CG2 3.3Å; V4-V8 WeakPolarHBondContact O-CG2 3.26Å; V4-V8 PolarHBondContact O-N 2.9Å
5	S	77.4	Confident	74.4	Confident	74 Å²	74	117.5 Å²	117.5	52%	0.517	61%	0.607	S	S	.	*	H	α-helix	trans	-63.4	-41.2	177.5	-157.6	0	0	0	111.7	K2 F3 V8 L9	K2-S5 PolarHBondContact O-N 2.86Å; F3-S5 VanDerWaalsContact C-N 3.32Å; F3-S5 PolarHBondContact O-N 2.91Å; S5-V8 PolarHBondContact O-N 2.9Å; S5-L9 WeakPolarHBondContact O-CB 3.44Å; S5-L9 WeakPolarHBondContact O-CG 3.47Å; S5-L9 PolarHBondContact O-N 3.39Å
6	F	76.2	Confident	73.9	Confident	158 Å²	158	112.5 Å²	112.5	69%	0.693	59%	0.594	S	S	*	*	H	α-helix	trans	-64.1	-41.5	174.9	-114.1	-85.6	0	0	112.4	K2 F3 V4 L9 L10	K2-F6 PolarHBondContact O-N 3.15Å; F3-F6 PolarHBondContact O-N 3.48Å; V4-F6 VanDerWaalsContact C-N 3.34Å; V4-F6 PolarHBondContact O-N 3.2Å; F6-L9 PolarHBondContact O-N 3.39Å; F6-L10 WeakPolarHBondContact O-CB 3.4Å; F6-L10 PolarHBondContact O-N 2.93Å
7	L	79.1	Confident	73.2	Confident	104 Å²	104	111.8 Å²	111.8	55%	0.545	59%	0.589	S	S	.	*	H	α-helix	trans	-66.2	-40.4	178.7	-168.4	148.3	0	0	111.5	F3 V4 L10 I11	F3-L7 PolarHBondContact O-N 3.39Å; V4-L7 PolarHBondContact O-N 3.2Å; L7-L10 PolarHBondContact O-N 3.26Å; L7-I11 HydrophobicContact CD2-CD1 3.5Å; L7-I11 HydrophobicContact CD2-CG1 4.33Å; L7-I11 VanDerWaalsContact O-CG1 3.31Å; L7-I11 WeakPolarHBondContact O-CG1 3.46Å; L7-I11 PolarHBondContact O-N 3.11Å
8	V	81.6	Confident	72.5	Confident	80 Å²	80	109.6 Å²	109.6	49%	0.485	58%	0.58	S	S	.	*	H	α-helix	trans	-64	-45.8	174.3	172.8	0	0	0	111.1	V4 S5 L10 I11 V12	V4-V8 HydrophobicContact CG1-CG2 4.42Å; V4-V8 VanDerWaalsContact O-CG2 3.3Å; V4-V8 WeakPolarHBondContact O-CG2 3.26Å; V4-V8 PolarHBondContact O-N 2.9Å; S5-V8 PolarHBondContact O-N 2.9Å; V8-L10 VanDerWaalsContact C-N 3.32Å; V8-L10 PolarHBondContact O-N 3.46Å; V8-I11 PolarHBondContact O-N 3.22Å; V8-V12 VanDerWaalsContact O-CG2 3.32Å; V8-V12 WeakPolarHBondContact O-CG2 3.48Å; V8-V12 PolarHBondContact O-N 3.36Å
9	L	79.4	Confident	71.5	Confident	108 Å²	108	107.5 Å²	107.5	57%	0.565	57%	0.566	S	S	*	*	H	α-helix	trans	-61.1	-40.1	176	-75	169	0	0	112.3	S5 F6 V12 A13	S5-L9 WeakPolarHBondContact O-CB 3.44Å; S5-L9 WeakPolarHBondContact O-CG 3.47Å; S5-L9 PolarHBondContact O-N 3.39Å; F6-L9 PolarHBondContact O-N 3.39Å; L9-V12 PolarHBondContact O-N 3.5Å; L9-A13 WeakPolarHBondContact O-CB 3.23Å; L9-A13 PolarHBondContact O-N 2.86Å
10	L	79	Confident	70.6	Confident	107 Å²	107	109.3 Å²	109.3	56%	0.56	57%	0.571	S	S	*	*	H	α-helix	trans	-63.4	-44.3	176.6	-169.4	108.3	0	0	111.5	F6 L7 V8 A13 L14	F6-L10 WeakPolarHBondContact O-CB 3.4Å; F6-L10 PolarHBondContact O-N 2.93Å; L7-L10 PolarHBondContact O-N 3.26Å; V8-L10 VanDerWaalsContact C-N 3.32Å; V8-L10 PolarHBondContact O-N 3.46Å; L10-A13 PolarHBondContact O-N 3.42Å; L10-L14 HydrophobicContact CD2-CD1 3.77Å; L10-L14 HydrophobicContact CG-CD1 4.05Å; L10-L14 WeakPolarHBondContact O-CB 3.37Å; L10-L14 WeakPolarHBondContact O-CD1 3.38Å; L10-L14 VanDerWaalsContact O-CG 3.29Å; L10-L14 WeakPolarHBondContact O-CG 3.41Å; L10-L14 PolarHBondContact O-N 3.26Å
11	I	81.9	Confident	69.6	Low	78 Å²	78	107.4 Å²	107.4	40%	0.4	57%	0.565	S	S	.	*	H	α-helix	trans	-62.4	-44.8	176	-68.6	170.5	0	0	110.3	L7 V8 A13 L14 F15	L7-I11 HydrophobicContact CD2-CD1 3.5Å; L7-I11 HydrophobicContact CD2-CG1 4.33Å; L7-I11 VanDerWaalsContact O-CG1 3.31Å; L7-I11 WeakPolarHBondContact O-CG1 3.46Å; L7-I11 PolarHBondContact O-N 3.11Å; V8-I11 PolarHBondContact O-N 3.22Å; I11-A13 PolarHBondContact O-N 3.03Å; I11-L14 PolarHBondContact O-N 3.34Å; I11-F15 HydrophobicContact CG2-CD2 3.79Å; I11-F15 HydrophobicContact CG2-CE2 4.01Å; I11-F15 WeakPolarHBondContact O-CB 3.5Å; I11-F15 WeakPolarHBondContact O-CD2 3.4Å; I11-F15 PolarHBondContact O-N 3.01Å
12	V	79.7	Confident	69.3	Low	95 Å²	95	101.8 Å²	101.8	58%	0.576	54%	0.535	S	S	*	.	H	α-helix	trans	-62.4	-42.5	177.8	172.6	0	0	0	111.4	V8 L9 F15 G16	V8-V12 VanDerWaalsContact O-CG2 3.32Å; V8-V12 WeakPolarHBondContact O-CG2 3.48Å; V8-V12 PolarHBondContact O-N 3.36Å; L9-V12 PolarHBondContact O-N 3.5Å; V12-F15 PolarHBondContact O-N 2.84Å; V12-G16 PolarHBondContact O-N 3.38Å
13	A	78.1	Confident	68.3	Low	52 Å²	52	98.4 Å²	98.4	43%	0.43	53%	0.534	S	S	.	.	H	α-helix	trans	-64.5	-45	176.4	0	0	0	0	111.8	L9 L10 I11 F15 G16 I17	L9-A13 WeakPolarHBondContact O-CB 3.23Å; L9-A13 PolarHBondContact O-N 2.86Å; L10-A13 PolarHBondContact O-N 3.42Å; I11-A13 PolarHBondContact O-N 3.03Å; A13-F15 VanDerWaalsContact C-N 3.34Å; A13-F15 PolarHBondContact O-N 2.96Å; A13-G16 PolarHBondContact O-N 3.5Å; A13-G16 VanDerWaalsContact O-N 3.15Å; A13-I17 WeakPolarHBondContact O-CD1 3.06Å; A13-I17 VanDerWaalsContact O-CG1 3.23Å; A13-I17 WeakPolarHBondContact O-CG1 3.12Å; A13-I17 PolarHBondContact O-N 2.95Å
14	L	75.9	Confident	67.7	Low	93 Å²	93	96 Å²	96	49%	0.487	53%	0.528	S	S	.	.	H	α-helix	trans	-60	-44	175	-75.6	162.6	0	0	111.3	L10 I11 G16 I17 V18	L10-L14 HydrophobicContact CD2-CD1 3.77Å; L10-L14 HydrophobicContact CG-CD1 4.05Å; L10-L14 WeakPolarHBondContact O-CB 3.37Å; L10-L14 WeakPolarHBondContact O-CD1 3.38Å; L10-L14 VanDerWaalsContact O-CG 3.29Å; L10-L14 WeakPolarHBondContact O-CG 3.41Å; L10-L14 PolarHBondContact O-N 3.26Å; I11-L14 PolarHBondContact O-N 3.34Å; L14-G16 VanDerWaalsContact C-N 3.32Å; L14-G16 PolarHBondContact O-N 2.95Å; L14-I17 PolarHBondContact O-N 3.27Å; L14-V18 WeakPolarHBondContact O-CB 3.41Å; L14-V18 WeakPolarHBondContact O-CG2 3.29Å; L14-V18 PolarHBondContact O-N 2.92Å
15	F	69.5	Low	66.4	Low	118 Å²	118	97.8 Å²	97.8	52%	0.518	53%	0.527	S	S	.	.	H	α-helix	trans	-63.6	-35.8	175	-96.6	-91.1	0	0	112.7	I11 V12 A13 K19 W46	I11-F15 HydrophobicContact CG2-CD2 3.79Å; I11-F15 HydrophobicContact CG2-CE2 4.01Å; I11-F15 WeakPolarHBondContact O-CB 3.5Å; I11-F15 WeakPolarHBondContact O-CD2 3.4Å; I11-F15 PolarHBondContact O-N 3.01Å; V12-F15 PolarHBondContact O-N 2.84Å; A13-F15 VanDerWaalsContact C-N 3.34Å; A13-F15 PolarHBondContact O-N 2.96Å; F15-K19 PolarHBondContact O-N 3.16Å; F15-W46 HydrophobicContact CD1-CH2 4.29Å; F15-W46 AromaticContact CD1-CZ3 3.77Å; F15-W46 HydrophobicContact CD1-CZ3 3.77Å; F15-W46 HydrophobicContact CE1-CE3 4.42Å; F15-W46 AromaticContact CE1-CZ3 3.98Å; F15-W46 HydrophobicContact CE1-CZ3 3.98Å
16	G	67.2	Low	65.1	Low	38 Å²	38	100.8 Å²	100.8	39%	0.392	54%	0.538	S	S	.	.	H	α-helix	trans	-66.2	-44.5	173.3	0	0	0	0	113	V12 A13 L14 K19 E20	V12-G16 PolarHBondContact O-N 3.38Å; A13-G16 PolarHBondContact O-N 3.5Å; A13-G16 VanDerWaalsContact O-N 3.15Å; L14-G16 VanDerWaalsContact C-N 3.32Å; L14-G16 PolarHBondContact O-N 2.95Å; G16-K19 WeakPolarHBondContact O-CB 3.48Å; G16-K19 PolarHBondContact O-N 2.95Å; G16-E20 PolarHBondContact O-N 3.27Å
17	I	61.8	Low	63.6	Low	100 Å²	100	97.7 Å²	97.7	51%	0.513	54%	0.536	S	S	.	.	H	α-helix	trans	-68.1	-38.5	178.4	-63.9	162	0	0	110.9	A13 L14 K19 E20 T21	A13-I17 WeakPolarHBondContact O-CD1 3.06Å; A13-I17 VanDerWaalsContact O-CG1 3.23Å; A13-I17 WeakPolarHBondContact O-CG1 3.12Å; A13-I17 PolarHBondContact O-N 2.95Å; L14-I17 PolarHBondContact O-N 3.27Å; I17-K19 VanDerWaalsContact C-N 3.32Å; I17-E20 PolarHBondContact O-N 3.27Å; I17-T21 PolarHBondContact O-N 3Å; I17-T21 PolarHBondContact O-OG1 3.5Å
18	V	60.7	Low	62.2	Low	72 Å²	72	99.5 Å²	99.5	44%	0.436	55%	0.546	S	S	.	.	H	α-helix	trans	-62.3	-40.7	172	172.2	0	0	0	110.1	L14 T21 E22	L14-V18 WeakPolarHBondContact O-CB 3.41Å; L14-V18 WeakPolarHBondContact O-CG2 3.29Å; L14-V18 PolarHBondContact O-N 2.92Å; V18-T21 PolarHBondContact O-N 2.9Å; V18-E22 HydrophobicContact CG1-CG 4.42Å; V18-E22 WeakPolarHBondContact O-CG 3.2Å; V18-E22 PolarHBondContact O-N 3.43Å
19	K	54.1	Low	60.5	Low	70 Å²	70	100.3 Å²	100.3	30%	0.304	55%	0.551	S	S	.	*	H	α-helix	trans	-62	-41.2	173.8	-89.3	-142.6	173	-163.5	113.9	F15 G16 I17 T21 E22 C23 W46 N50	F15-K19 PolarHBondContact O-N 3.16Å; G16-K19 WeakPolarHBondContact O-CB 3.48Å; G16-K19 PolarHBondContact O-N 2.95Å; I17-K19 VanDerWaalsContact C-N 3.32Å; K19-T21 VanDerWaalsContact C-N 3.31Å; K19-E22 PolarHBondContact O-N 3.34Å; K19-C23 WeakPolarHBondContact O-CB 3.43Å; K19-C23 PolarHBondContact O-N 2.75Å; K19-W46 HydrophobicContact CD-CH2 4.05Å; K19-W46 HydrophobicContact CD-CZ2 4.43Å; K19-W46 HydrophobicContact CG-CH2 3.61Å; K19-W46 HydrophobicContact CG-CZ2 4.06Å; K19-N50 PolarHBondContact NZ-OD1 3.18Å; K19-N50 VanDerWaalsContact NZ-OD1 3.14Å
20	E	52	Low	58.8	Low	143 Å²	143	100.3 Å²	100.3	67%	0.668	57%	0.567	S	S	*	*	H	α-helix	trans	-65.9	-37.4	175.7	-80.1	-168.9	139.2	0	111.7	G16 I17 I24	G16-E20 PolarHBondContact O-N 3.27Å; I17-E20 PolarHBondContact O-N 3.27Å; E20-I24 WeakPolarHBondContact O-CG1 3.44Å; E20-I24 PolarHBondContact O-N 2.92Å
21	T	50.2	Low	57	Low	71 Å²	71	98.8 Å²	98.8	44%	0.436	58%	0.577	S	S	.	*	H	α-helix	trans	-68.8	-35	177.7	-53.5	0	0	0	112	I17 V18 K19 K25	I17-T21 PolarHBondContact O-N 3Å; I17-T21 PolarHBondContact O-OG1 3.5Å; V18-T21 PolarHBondContact O-N 2.9Å; K19-T21 VanDerWaalsContact C-N 3.31Å; T21-K25 PolarHBondContact O-N 3.46Å
22	E	52.9	Low	55	Low	105 Å²	105	98.7 Å²	98.7	49%	0.491	60%	0.595	S	S	.	*	H	α-helix	trans	-81.4	-28	178.2	-69.5	-165.9	160.3	0	113.8	V18 K19 I24 K25 N26	V18-E22 HydrophobicContact CG1-CG 4.42Å; V18-E22 WeakPolarHBondContact O-CG 3.2Å; V18-E22 PolarHBondContact O-N 3.43Å; K19-E22 PolarHBondContact O-N 3.34Å; E22-I24 PolarHBondContact O-N 3.16Å; E22-K25 PolarHBondContact O-N 2.78Å; E22-N26 WeakPolarHBondContact O-CB 3.41Å; E22-N26 PolarHBondContact O-N 3.46Å
23	C	42.6	Very low	53.4	Low	112 Å²	112	103.3 Å²	103.3	76%	0.757	61%	0.607	S	S	*	*	H	α-helix	trans	-64	-29.6	171.5	-127.9	0	0	0	112	K19	K19-C23 WeakPolarHBondContact O-CB 3.43Å; K19-C23 PolarHBondContact O-N 2.75Å
24	I	47.8	Very low	51.8	Low	138 Å²	138	107.7 Å²	107.7	71%	0.708	62%	0.624	S	S	*	*	H	α-helix	trans	-87.3	-27.5	178.4	-60.5	170.8	0	0	112	E20 E22 S27	E20-I24 WeakPolarHBondContact O-CG1 3.44Å; E20-I24 PolarHBondContact O-N 2.92Å; E22-I24 PolarHBondContact O-N 3.16Å; I24-S27 PolarHBondContact O-OG 3.32Å
25	K	48.6	Very low	50.2	Low	137 Å²	137	106.9 Å²	106.9	60%	0.596	63%	0.626	S	S	*	*	H	α-helix	trans	-93.3	-23.5	179.9	-82.5	-176.9	175.6	179	115.5	T21 E22 S27 N28 T29	T21-K25 PolarHBondContact O-N 3.46Å; E22-K25 PolarHBondContact O-N 2.78Å; K25-S27 PolarHBondContact O-N 3.42Å; K25-S27 VanDerWaalsContact O-N 3.16Å; K25-N28 PolarHBondContact O-N 2.82Å; K25-T29 PolarHBondContact O-N 3.26Å
26	N	49.4	Very low	49.1	Very low	137 Å²	137	107.4 Å²	107.4	73%	0.733	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-2.9	-177.9	-166.6	43.3	0	0	114	E22 N28	E22-N26 WeakPolarHBondContact O-CB 3.41Å; E22-N26 PolarHBondContact O-N 3.46Å; N26-N28 VanDerWaalsContact C-N 3.3Å
27	S	44.5	Very low	48	Very low	93 Å²	93	108 Å²	108	65%	0.65	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-13.9	164.3	56.5	0	0	0	113.1	I24 K25	I24-S27 PolarHBondContact O-OG 3.32Å; K25-S27 PolarHBondContact O-N 3.42Å; K25-S27 VanDerWaalsContact O-N 3.16Å
28	N	50.3	Low	47.4	Very low	142 Å²	142	107.3 Å²	107.3	76%	0.759	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.9	-0.9	-164.4	-97.7	-5.7	0	0	117.4	K25 N26	K25-N28 PolarHBondContact O-N 2.82Å; N26-N28 VanDerWaalsContact C-N 3.3Å
29	T	44.9	Very low	46.9	Very low	97 Å²	97	108.5 Å²	108.5	60%	0.595	66%	0.661	S	S	*	*			trans	-148.8	87.1	-177.3	-39.6	0	0	0	114.2	K25 G31	K25-T29 PolarHBondContact O-N 3.26Å; T29-G31 PolarHBondContact O-N 2.81Å
30	A	43.1	Very low	46.8	Very low	109 Å²	109	109 Å²	109	90%	0.901	67%	0.673	S	S	*	*			trans	-62.3	114.2	150.4	0	0	0	0	109.3
31	G	41.1	Very low	46.9	Very low	75 Å²	75	110.2 Å²	110.2	77%	0.773	68%	0.677	S	S	*	*			trans	145.6	120	163.1	0	0	0	0	116.6	T29	T29-G31 PolarHBondContact O-N 2.81Å
32	G	40.7	Very low	47.2	Very low	75 Å²	75	109.6 Å²	109.6	77%	0.773	68%	0.679	S	S	*	*			trans	137.1	72.7	167	0	0	0	0	112.5
33	K	46.7	Very low	47.7	Very low	192 Å²	192	109.2 Å²	109.2	84%	0.835	68%	0.68	S	S	*	*				45.1	109.5	81.8	-89.9	-177.4	-177.5	174.3	113.8
34	N	43.1	Very low	48.8	Very low	145 Å²	145	109.6 Å²	109.6	78%	0.775	68%	0.675	S	S	*	*			trans	115.4	87.4	142.5	-51.1	-16.2	0	0	117.9
35	S	43.8	Very low	49.7	Very low	75 Å²	75	105 Å²	105	52%	0.524	66%	0.658	S	S	.	*				-167.3	119	116.7	141.1	0	0	0	111	M39	S35-M39 VanDerWaalsContact O-CB 3.29Å; S35-M39 WeakPolarHBondContact O-CB 3.41Å; S35-M39 VanDerWaalsContact O-CG 3.23Å; S35-M39 WeakPolarHBondContact O-CG 3.43Å
36	S	45.1	Very low	50.4	Low	129 Å²	129	101.6 Å²	101.6	90%	0.902	64%	0.641	S	S	*	*			trans	-90.4	124.9	-164.5	-165.5	0	0	0	109.8
37	G	45.7	Very low	51.5	Low	51 Å²	51	97.9 Å²	97.9	53%	0.526	62%	0.624	S	S	.	*	S	Bend	trans	130.2	-78.4	173.8	0	0	0	0	113.8	S40	G37-S40 PolarHBondContact O-N 3.42Å
38	A	47.8	Very low	53	Low	85 Å²	85	101.6 Å²	101.6	70%	0.702	62%	0.623	S	S	*	*	H	α-helix	trans	-75.3	-29	179.8	0	0	0	0	113.1	S40 F41 A42	A38-S40 PolarHBondContact O-N 2.92Å; A38-F41 PolarHBondContact O-N 3.3Å; A38-A42 PolarHBondContact O-N 3.36Å
39	M	51.6	Low	54.2	Low	98 Å²	98	99.4 Å²	99.4	48%	0.483	61%	0.607	S	S	.	*	H	α-helix	trans	-65.4	-23.7	174.2	-72.3	-171.8	-159	0	112.9	S35 F41 A42 N43	S35-M39 VanDerWaalsContact O-CB 3.29Å; S35-M39 WeakPolarHBondContact O-CB 3.41Å; S35-M39 VanDerWaalsContact O-CG 3.23Å; S35-M39 WeakPolarHBondContact O-CG 3.43Å; M39-F41 VanDerWaalsContact C-N 3.31Å; M39-F41 PolarHBondContact O-N 3.14Å; M39-A42 PolarHBondContact O-N 2.91Å; M39-N43 WeakPolarHBondContact O-CA 2.96Å; M39-N43 WeakPolarHBondContact O-CB 3.46Å; M39-N43 PolarHBondContact O-N 3.36Å
40	S	50.5	Low	55.5	Low	79 Å²	79	97.7 Å²	97.7	55%	0.552	60%	0.595	S	S	*	*	H	α-helix	trans	-65.4	-39	-179.8	-60.7	0	0	0	111.2	G37 A38 N44	G37-S40 PolarHBondContact O-N 3.42Å; A38-S40 PolarHBondContact O-N 2.92Å; S40-N44 WeakPolarHBondContact O-CB 3.37Å; S40-N44 PolarHBondContact O-N 3.33Å
41	F	54.2	Low	57.2	Low	169 Å²	169	99 Å²	99	74%	0.741	58%	0.58	S	S	*	*	H	α-helix	trans	-71.4	-47.4	174.2	-177.7	-96.6	0	0	111.5	A38 M39 N43 N44 A45	A38-F41 PolarHBondContact O-N 3.3Å; M39-F41 VanDerWaalsContact C-N 3.31Å; M39-F41 PolarHBondContact O-N 3.14Å; F41-N43 VanDerWaalsContact C-N 3.29Å; F41-N43 PolarHBondContact O-N 3.23Å; F41-N44 PolarHBondContact O-N 3.47Å; F41-A45 WeakPolarHBondContact O-CB 3.39Å; F41-A45 PolarHBondContact O-N 3.46Å
42	A	57.9	Low	59	Low	58 Å²	58	98.7 Å²	98.7	48%	0.479	56%	0.56	S	S	.	*	H	α-helix	trans	-61.4	-37.7	178.2	0	0	0	0	112.2	A38 M39 A45 W46	A38-A42 PolarHBondContact O-N 3.36Å; M39-A42 PolarHBondContact O-N 2.91Å; A42-A45 PolarHBondContact O-N 3.22Å; A42-W46 WeakPolarHBondContact O-CB 3.25Å; A42-W46 PolarHBondContact O-N 3.05Å
43	N	62.3	Low	60.6	Low	98 Å²	98	97.1 Å²	97.1	52%	0.524	54%	0.537	S	S	.	.	H	α-helix	trans	-71.6	-36.7	177.2	-170.5	39.9	0	0	111.8	M39 F41 W46 T47	M39-N43 WeakPolarHBondContact O-CA 2.96Å; M39-N43 WeakPolarHBondContact O-CB 3.46Å; M39-N43 PolarHBondContact O-N 3.36Å; F41-N43 VanDerWaalsContact C-N 3.29Å; F41-N43 PolarHBondContact O-N 3.23Å; N43-W46 PolarHBondContact O-N 3.35Å; N43-T47 VanDerWaalsContact O-CB 3.29Å; N43-T47 WeakPolarHBondContact O-CB 3.16Å; N43-T47 PolarHBondContact O-N 3.46Å; N43-T47 PolarHBondContact O-OG1 3.43Å
44	N	65.1	Low	62	Low	119 Å²	119	89.6 Å²	89.6	64%	0.636	51%	0.514	S	S	*	.	H	α-helix	trans	-65.9	-45.3	172.3	-120.4	-13.7	0	0	111.2	S40 F41 W46 T47 W48	S40-N44 WeakPolarHBondContact O-CB 3.37Å; S40-N44 PolarHBondContact O-N 3.33Å; F41-N44 PolarHBondContact O-N 3.47Å; N44-W46 VanDerWaalsContact C-N 3.31Å; N44-W46 PolarHBondContact O-N 2.86Å; N44-T47 PolarHBondContact O-N 2.91Å; N44-W48 WeakPolarHBondContact O-CB 3.39Å; N44-W48 PolarHBondContact O-N 3.32Å
45	A	66.7	Low	63.6	Low	42 Å²	42	89.7 Å²	89.7	35%	0.347	51%	0.505	S	S	.	.	H	α-helix	trans	-61.1	-41.2	174.7	0	0	0	0	111.4	F41 A42 W48 F49	F41-A45 WeakPolarHBondContact O-CB 3.39Å; F41-A45 PolarHBondContact O-N 3.46Å; A42-A45 PolarHBondContact O-N 3.22Å; A45-W48 PolarHBondContact O-N 3.34Å; A45-F49 VanDerWaalsContact O-CB 3.25Å; A45-F49 WeakPolarHBondContact O-CB 3.43Å; A45-F49 PolarHBondContact O-N 2.77Å
46	W	63.5	Low	65	Low	65 Å²	65	91.2 Å²	91.2	25%	0.246	51%	0.506	C	S	.	.	H	α-helix	trans	-65.2	-42.8	175.9	-169.9	-116.9	0	0	112.7	F15 K19 A42 N43 N44 F49 N50	F15-W46 HydrophobicContact CD1-CH2 4.29Å; F15-W46 AromaticContact CD1-CZ3 3.77Å; F15-W46 HydrophobicContact CD1-CZ3 3.77Å; F15-W46 HydrophobicContact CE1-CE3 4.42Å; F15-W46 AromaticContact CE1-CZ3 3.98Å; F15-W46 HydrophobicContact CE1-CZ3 3.98Å; K19-W46 HydrophobicContact CD-CH2 4.05Å; K19-W46 HydrophobicContact CD-CZ2 4.43Å; K19-W46 HydrophobicContact CG-CH2 3.61Å; K19-W46 HydrophobicContact CG-CZ2 4.06Å; A42-W46 WeakPolarHBondContact O-CB 3.25Å; A42-W46 PolarHBondContact O-N 3.05Å; N43-W46 PolarHBondContact O-N 3.35Å; N44-W46 VanDerWaalsContact C-N 3.31Å; N44-W46 PolarHBondContact O-N 2.86Å; W46-F49 HydrophobicContact CE3-CD1 4.49Å; W46-F49 HydrophobicContact CZ3-CD1 4.46Å; W46-F49 PolarHBondContact O-N 3.42Å; W46-N50 PolarHBondContact NE1-ND2 3.01Å; W46-N50 WeakPolarHBondContact O-CB 3.44Å; W46-N50 PolarHBondContact O-N 2.97Å
47	T	73	Confident	66.3	Low	60 Å²	60	88.4 Å²	88.4	37%	0.368	49%	0.486	S	S	.	.	H	α-helix	trans	-64.3	-44.4	176.9	-60.3	0	0	0	110.8	N43 N44 N50 K51	N43-T47 VanDerWaalsContact O-CB 3.29Å; N43-T47 WeakPolarHBondContact O-CB 3.16Å; N43-T47 PolarHBondContact O-N 3.46Å; N43-T47 PolarHBondContact O-OG1 3.43Å; N44-T47 PolarHBondContact O-N 2.91Å; T47-N50 PolarHBondContact O-N 2.82Å; T47-K51 PolarHBondContact O-N 2.93Å
48	W	76.6	Confident	67.8	Low	171 Å²	171	91.7 Å²	91.7	65%	0.648	49%	0.488	S	S	*	.	H	α-helix	trans	-63.6	-43	174.7	179.2	85.6	0	0	111.7	N44 A45 N50 K51 L52	N44-W48 WeakPolarHBondContact O-CB 3.39Å; N44-W48 PolarHBondContact O-N 3.32Å; A45-W48 PolarHBondContact O-N 3.34Å; W48-N50 PolarHBondContact O-N 2.83Å; W48-K51 WeakPolarHBondContact O-CB 3.23Å; W48-K51 PolarHBondContact O-N 3.27Å; W48-L52 HydrophobicContact CH2-CD2 3.89Å; W48-L52 HydrophobicContact CZ2-CD2 4.46Å; W48-L52 HydrophobicContact CZ3-CD2 4.11Å; W48-L52 PolarHBondContact O-N 3.47Å
49	F	75.3	Confident	69.1	Low	96 Å²	96	93.1 Å²	93.1	42%	0.421	48%	0.483	S	S	.	.	H	α-helix	trans	-63.4	-41.2	176.3	-177.5	-101.4	0	0	112.1	A45 W46 L52 S53	A45-F49 VanDerWaalsContact O-CB 3.25Å; A45-F49 WeakPolarHBondContact O-CB 3.43Å; A45-F49 PolarHBondContact O-N 2.77Å; W46-F49 HydrophobicContact CE3-CD1 4.49Å; W46-F49 HydrophobicContact CZ3-CD1 4.46Å; W46-F49 PolarHBondContact O-N 3.42Å; F49-L52 PolarHBondContact O-N 3.06Å; F49-S53 WeakPolarHBondContact O-CB 3.29Å; F49-S53 PolarHBondContact O-N 3.34Å; F49-S53 PolarHBondContact O-OG 3.47Å
50	N	72.8	Confident	70.1	Confident	61 Å²	61	95 Å²	95	33%	0.326	49%	0.488	S	S	.	.	H	α-helix	trans	-64.1	-41.6	175.3	-79.3	-22.2	0	0	111.5	K19 W46 T47 W48 S53 G54	K19-N50 PolarHBondContact NZ-OD1 3.18Å; K19-N50 VanDerWaalsContact NZ-OD1 3.14Å; W46-N50 PolarHBondContact NE1-ND2 3.01Å; W46-N50 WeakPolarHBondContact O-CB 3.44Å; W46-N50 PolarHBondContact O-N 2.97Å; T47-N50 PolarHBondContact O-N 2.82Å; W48-N50 PolarHBondContact O-N 2.83Å; N50-S53 WeakPolarHBondContact CA-OG 3.45Å; N50-S53 PolarHBondContact O-N 3.41Å; N50-S53 PolarHBondContact O-OG 3.32Å; N50-G54 PolarHBondContact O-N 3.37Å
51	K	78.6	Confident	71	Confident	136 Å²	136	96.8 Å²	96.8	59%	0.591	49%	0.488	S	S	*	.	H	α-helix	trans	-58.7	-47.8	171.5	-76.6	-176.1	178.4	-176.2	111.6	T47 W48 S53 G54 Y55	T47-K51 PolarHBondContact O-N 2.93Å; W48-K51 WeakPolarHBondContact O-CB 3.23Å; W48-K51 PolarHBondContact O-N 3.27Å; K51-S53 VanDerWaalsContact C-N 3.33Å; K51-S53 PolarHBondContact O-N 3.43Å; K51-G54 PolarHBondContact O-N 2.71Å; K51-G54 VanDerWaalsContact O-N 3.16Å; K51-Y55 HydrophobicContact CB-CE2 4.38Å; K51-Y55 WeakPolarHBondContact O-CD2 3.39Å; K51-Y55 PolarHBondContact O-N 2.91Å
52	L	77.2	Confident	71.6	Confident	68 Å²	68	94.7 Å²	94.7	36%	0.356	48%	0.482	S	S	.	.	H	α-helix	trans	-59.8	-43.2	177.8	-170.8	71	0	0	111.7	W48 F49 G54 Y55 L56	W48-L52 HydrophobicContact CH2-CD2 3.89Å; W48-L52 HydrophobicContact CZ2-CD2 4.46Å; W48-L52 HydrophobicContact CZ3-CD2 4.11Å; W48-L52 PolarHBondContact O-N 3.47Å; F49-L52 PolarHBondContact O-N 3.06Å; L52-G54 VanDerWaalsContact C-N 3.32Å; L52-G54 PolarHBondContact O-N 3.33Å; L52-Y55 PolarHBondContact O-N 3.39Å; L52-L56 WeakPolarHBondContact O-CG 3.49Å; L52-L56 PolarHBondContact O-N 2.87Å
53	S	74.9	Confident	72	Confident	43 Å²	43	98.9 Å²	98.9	30%	0.301	49%	0.49	S	S	.	.	H	α-helix	trans	-64.9	-35.3	176.6	74.4	0	0	0	112.6	F49 N50 K51 L56 C57	F49-S53 WeakPolarHBondContact O-CB 3.29Å; F49-S53 PolarHBondContact O-N 3.34Å; F49-S53 PolarHBondContact O-OG 3.47Å; N50-S53 WeakPolarHBondContact CA-OG 3.45Å; N50-S53 PolarHBondContact O-N 3.41Å; N50-S53 PolarHBondContact O-OG 3.32Å; K51-S53 VanDerWaalsContact C-N 3.33Å; K51-S53 PolarHBondContact O-N 3.43Å; S53-L56 PolarHBondContact O-N 3.02Å; S53-C57 WeakPolarHBondContact O-CB 3.23Å; S53-C57 PolarHBondContact O-N 3.15Å
54	G	77	Confident	71.7	Confident	34 Å²	34	99 Å²	99	35%	0.351	49%	0.487	S	S	.	.	H	α-helix	trans	-64.1	-44.9	172.3	0	0	0	0	112.1	N50 K51 L52 L56 C57 Q58	N50-G54 PolarHBondContact O-N 3.37Å; K51-G54 PolarHBondContact O-N 2.71Å; K51-G54 VanDerWaalsContact O-N 3.16Å; L52-G54 VanDerWaalsContact C-N 3.32Å; L52-G54 PolarHBondContact O-N 3.33Å; G54-L56 PolarHBondContact O-N 3.41Å; G54-C57 WeakPolarHBondContact O-CB 3.37Å; G54-C57 PolarHBondContact O-N 3.46Å; G54-Q58 PolarHBondContact O-N 2.92Å
55	Y	76.7	Confident	71.4	Confident	147 Å²	147	99 Å²	99	58%	0.576	49%	0.486	S	S	*	.	H	α-helix	trans	-61.7	-42.2	174.1	-72.7	-62.7	0	0	112.3	K51 L52 C57 Q58 L59	K51-Y55 HydrophobicContact CB-CE2 4.38Å; K51-Y55 WeakPolarHBondContact O-CD2 3.39Å; K51-Y55 PolarHBondContact O-N 2.91Å; L52-Y55 PolarHBondContact O-N 3.39Å; Y55-C57 VanDerWaalsContact C-N 3.34Å; Y55-C57 PolarHBondContact O-N 2.86Å; Y55-Q58 PolarHBondContact O-N 3.33Å; Y55-L59 WeakPolarHBondContact O-CB 3.18Å; Y55-L59 PolarHBondContact O-N 3.44Å
56	L	73.3	Confident	71	Confident	106 Å²	106	101 Å²	101	56%	0.555	49%	0.494	S	S	*	.	H	α-helix	trans	-64	-38.7	175.7	-73.2	171.3	0	0	112.1	L52 S53 G54 L59 K60	L52-L56 WeakPolarHBondContact O-CG 3.49Å; L52-L56 PolarHBondContact O-N 2.87Å; S53-L56 PolarHBondContact O-N 3.02Å; G54-L56 PolarHBondContact O-N 3.41Å; L56-L59 PolarHBondContact O-N 3.35Å; L56-K60 PolarHBondContact O-N 3.36Å
57	C	72.6	Confident	70.6	Confident	71 Å²	71	102.6 Å²	102.6	48%	0.48	51%	0.508	S	S	.	.	H	α-helix	trans	-63.8	-46.3	175.2	-169.3	0	0	0	111.4	S53 G54 Y55 K60 Q61	S53-C57 WeakPolarHBondContact O-CB 3.23Å; S53-C57 PolarHBondContact O-N 3.15Å; G54-C57 WeakPolarHBondContact O-CB 3.37Å; G54-C57 PolarHBondContact O-N 3.46Å; Y55-C57 VanDerWaalsContact C-N 3.34Å; Y55-C57 PolarHBondContact O-N 2.86Å; C57-K60 PolarHBondContact O-N 2.96Å; C57-Q61 WeakPolarHBondContact O-CG 3.29Å; C57-Q61 PolarHBondContact O-N 2.88Å
58	Q	75.9	Confident	69.7	Low	120 Å²	120	106.8 Å²	106.8	56%	0.561	53%	0.527	S	S	*	.	H	α-helix	trans	-61.3	-44.8	173.9	-75	-171.2	-15.6	0	111.8	G54 Y55 K60 Q61 M62	G54-Q58 PolarHBondContact O-N 2.92Å; Y55-Q58 PolarHBondContact O-N 3.33Å; Q58-K60 VanDerWaalsContact C-N 3.29Å; Q58-K60 PolarHBondContact O-N 2.89Å; Q58-Q61 WeakPolarHBondContact O-CB 3.37Å; Q58-Q61 PolarHBondContact O-N 3.29Å; Q58-Q61 VanDerWaalsContact O-N 3.11Å; Q58-M62 VanDerWaalsContact O-CG 3.26Å; Q58-M62 WeakPolarHBondContact O-CG 3.39Å; Q58-M62 PolarHBondContact O-N 3.37Å
59	L	74.7	Confident	68.6	Low	114 Å²	114	103.5 Å²	103.5	60%	0.597	53%	0.53	S	S	*	.	H	α-helix	trans	-56.3	-42.6	175.3	-103.1	152.2	0	0	112.1	Y55 L56 M62 F63	Y55-L59 WeakPolarHBondContact O-CB 3.18Å; Y55-L59 PolarHBondContact O-N 3.44Å; L56-L59 PolarHBondContact O-N 3.35Å; L59-M62 PolarHBondContact O-N 3.48Å; L59-F63 WeakPolarHBondContact O-CB 3.32Å; L59-F63 PolarHBondContact O-N 2.89Å
60	K	72.8	Confident	67.3	Low	138 Å²	138	106.4 Å²	106.4	60%	0.6	56%	0.562	S	S	*	*	H	α-helix	trans	-64.5	-42.4	176.3	-164.9	178.3	-168.3	-71.9	111.4	L56 C57 Q58 F63 Q64	L56-K60 PolarHBondContact O-N 3.36Å; C57-K60 PolarHBondContact O-N 2.96Å; Q58-K60 VanDerWaalsContact C-N 3.29Å; Q58-K60 PolarHBondContact O-N 2.89Å; K60-F63 PolarHBondContact O-N 3.39Å; K60-Q64 WeakPolarHBondContact O-CG 3.48Å; K60-Q64 PolarHBondContact O-N 3.27Å
61	Q	70.9	Confident	67	Low	116 Å²	116	108.7 Å²	108.7	54%	0.542	57%	0.574	S	S	.	*	H	α-helix	trans	-62.5	-44.8	175.7	-69.5	177.7	11.8	0	111.5	C57 Q58 F63 Q64 L65	C57-Q61 WeakPolarHBondContact O-CG 3.29Å; C57-Q61 PolarHBondContact O-N 2.88Å; Q58-Q61 WeakPolarHBondContact O-CB 3.37Å; Q58-Q61 PolarHBondContact O-N 3.29Å; Q58-Q61 VanDerWaalsContact O-N 3.11Å; Q61-F63 PolarHBondContact O-N 2.97Å; Q61-Q64 PolarHBondContact O-N 3.43Å; Q61-L65 WeakPolarHBondContact O-CD1 3.31Å; Q61-L65 WeakPolarHBondContact O-CG 3.3Å; Q61-L65 PolarHBondContact O-N 2.88Å
62	M	66	Low	66.4	Low	126 Å²	126	107.2 Å²	107.2	62%	0.621	57%	0.573	S	S	*	*	H	α-helix	trans	-60.1	-45.1	176.2	-65	-65.6	-115.7	0	111.2	Q58 L59 Q64 L65 T66	Q58-M62 VanDerWaalsContact O-CG 3.26Å; Q58-M62 WeakPolarHBondContact O-CG 3.39Å; Q58-M62 PolarHBondContact O-N 3.37Å; L59-M62 PolarHBondContact O-N 3.48Å; M62-Q64 VanDerWaalsContact C-N 3.32Å; M62-Q64 PolarHBondContact O-N 2.99Å; M62-L65 PolarHBondContact O-N 3.38Å; M62-T66 PolarHBondContact O-N 3.39Å; M62-T66 PolarHBondContact O-OG1 3.03Å
63	F	67	Low	65.8	Low	145 Å²	145	109.4 Å²	109.4	64%	0.636	59%	0.585	S	S	*	*	H	α-helix	trans	-66	-33.1	179.3	-158	-95.4	0	0	113	L59 K60 Q61 N67	L59-F63 WeakPolarHBondContact O-CB 3.32Å; L59-F63 PolarHBondContact O-N 2.89Å; K60-F63 PolarHBondContact O-N 3.39Å; Q61-F63 PolarHBondContact O-N 2.97Å; F63-N67 WeakPolarHBondContact CD1-ND2 3.36Å; F63-N67 WeakPolarHBondContact CE1-ND2 3.35Å; F63-N67 PolarHBondContact O-N 3.43Å; F63-N67 VanDerWaalsContact O-N 3.15Å; F63-N67 PolarHBondContact O-ND2 3.47Å
64	Q	56	Low	65.3	Low	102 Å²	102	113.3 Å²	113.3	48%	0.477	60%	0.602	S	S	.	*	H	α-helix	trans	-70.4	-40.8	173.8	-65.8	-77.4	-28.5	0	111.3	K60 Q61 M62 N67 L68	K60-Q64 WeakPolarHBondContact O-CG 3.48Å; K60-Q64 PolarHBondContact O-N 3.27Å; Q61-Q64 PolarHBondContact O-N 3.43Å; M62-Q64 VanDerWaalsContact C-N 3.32Å; M62-Q64 PolarHBondContact O-N 2.99Å; Q64-N67 PolarHBondContact O-N 3.32Å; Q64-L68 WeakPolarHBondContact O-CD1 3.49Å; Q64-L68 PolarHBondContact O-N 3.35Å
65	L	58.6	Low	64.5	Low	117 Å²	117	118.3 Å²	118.3	61%	0.613	62%	0.618	S	S	*	*	H	α-helix	trans	-64.5	-39.9	174.1	-77.1	154	0	0	111.8	Q61 M62 N67 L68 S69	Q61-L65 WeakPolarHBondContact O-CD1 3.31Å; Q61-L65 WeakPolarHBondContact O-CG 3.3Å; Q61-L65 PolarHBondContact O-N 2.88Å; M62-L65 PolarHBondContact O-N 3.38Å; L65-N67 VanDerWaalsContact C-N 3.35Å; L65-N67 PolarHBondContact O-N 3.26Å; L65-L68 PolarHBondContact O-N 2.93Å; L65-S69 PolarHBondContact O-N 3.46Å
66	T	57.8	Low	63.7	Low	84 Å²	84	116.3 Å²	116.3	52%	0.515	62%	0.621	S	S	.	*	H	α-helix	trans	-67.4	-32.8	177.6	-53.3	0	0	0	112.6	M62	M62-T66 PolarHBondContact O-N 3.39Å; M62-T66 PolarHBondContact O-OG1 3.03Å
67	N	55.9	Low	63	Low	100 Å²	100	117.1 Å²	117.1	54%	0.535	63%	0.625	S	S	.	*	H	α-helix	trans	-81.4	-11.4	175.3	-81.8	-84	0	0	114.2	F63 Q64 L65	F63-N67 WeakPolarHBondContact CD1-ND2 3.36Å; F63-N67 WeakPolarHBondContact CE1-ND2 3.35Å; F63-N67 PolarHBondContact O-N 3.43Å; F63-N67 VanDerWaalsContact O-N 3.15Å; F63-N67 PolarHBondContact O-ND2 3.47Å; Q64-N67 PolarHBondContact O-N 3.32Å; L65-N67 VanDerWaalsContact C-N 3.35Å; L65-N67 PolarHBondContact O-N 3.26Å
68	L	54	Low	62.3	Low	148 Å²	148	120.6 Å²	120.6	78%	0.775	64%	0.637	S	S	*	*	H	α-helix	trans	-96.6	-11.4	171.6	-97.2	91.9	0	0	113.5	Q64 L65	Q64-L68 WeakPolarHBondContact O-CD1 3.49Å; Q64-L68 PolarHBondContact O-N 3.35Å; L65-L68 PolarHBondContact O-N 2.93Å
69	S	53.2	Low	61.2	Low	101 Å²	101	120.7 Å²	120.7	71%	0.706	64%	0.643	S	S	*	*			trans	-106.1	8.4	179	97.4	0	0	0	114.7	L65	L65-S69 PolarHBondContact O-N 3.46Å
70	S	47.1	Very low	59.9	Low	157 Å²	157	121.3 Å²	121.3	100%	1.098	65%	0.647	S	S	*	*			trans	-114.5	0	166.9	-64.5	0	0	0	109.2

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