G4VG37_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession G4VG37, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 74 aa.

						>G4VG37_SCHMA|G4VG37
MVRCALSVQYINPICLKIMIHIAEAVLDLNGLVRQKTGLTSTLDCSYGFRVSLVRSTIHSSLIGDYKIITIDRY
					

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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	38.7	Very low	50.6	Low	237 Å²	237	137.6 Å²	137.6	100%	1.167	73%	0.726	S	S	*	*				0	98.6	0	-90.6	171.9	143.5	0	0	108.7	R3	M1-R3 PolarHBondContact O-N 3.47Å
2	V	41.3	Very low	52.8	Low	136 Å²	136	131.8 Å²	131.8	82%	0.824	70%	0.695	S	S	*	*			trans	-78.6	104	175.4	-179.7	0	0	0	0	106.8	C4	V2-C4 VanDerWaalsContact C-N 3.27Å; V2-C4 PolarHBondContact O-N 3.09Å
3	R	46.8	Very low	54.5	Low	238 Å²	238	127.8 Å²	127.8	90%	0.898	68%	0.682	S	S	*	*			trans	-72.4	90.7	168.9	-71.5	-178.9	170.9	-174.2	-2.6	106.6	M1 A5	M1-R3 PolarHBondContact O-N 3.47Å; R3-A5 PolarHBondContact O-N 3.49Å
4	C	47.3	Very low	56.2	Low	101 Å²	101	126.4 Å²	126.4	68%	0.682	67%	0.673	S	S	*	*			trans	-59.1	107.3	164.4	-67.8	0	0	0	0	106.1	V2 L6	V2-C4 VanDerWaalsContact C-N 3.27Å; V2-C4 PolarHBondContact O-N 3.09Å; C4-L6 PolarHBondContact O-N 2.66Å
5	A	48.2	Very low	57.6	Low	90 Å²	90	121.9 Å²	121.9	74%	0.744	66%	0.655	S	S	*	*			trans	-61	92.4	167.1	0	0	0	0	0	105.7	R3 S7	R3-A5 PolarHBondContact O-N 3.49Å; A5-S7 VanDerWaalsContact C-N 3.32Å; A5-S7 PolarHBondContact O-N 3.42Å
6	L	49.7	Very low	58.9	Low	104 Å²	104	117.1 Å²	117.1	55%	0.545	63%	0.628	S	S	.	*			trans	-51.1	105.2	174.6	-86.6	155.5	0	0	0	105.3	C4 V8 I68	C4-L6 PolarHBondContact O-N 2.66Å; L6-V8 PolarHBondContact O-N 3.44Å; L6-I68 HydrophobicContact CD1-CG2 3.46Å; L6-I68 VanDerWaalsContact CD1-CG2 3.46Å
7	S	49.3	Very low	60.2	Low	95 Å²	95	118.2 Å²	118.2	66%	0.664	63%	0.626	S	S	*	*			trans	-50.6	115.2	177.5	-41.8	0	0	0	0	104.8	A5 Q9	A5-S7 VanDerWaalsContact C-N 3.32Å; A5-S7 PolarHBondContact O-N 3.42Å; S7-Q9 PolarHBondContact O-N 3.37Å
8	V	51.8	Low	61.3	Low	108 Å²	108	116.6 Å²	116.6	66%	0.655	62%	0.617	S	S	*	*			trans	-68.1	69.8	173.3	-176.9	0	0	0	0	105.3	L6 Y10 Y66	L6-V8 PolarHBondContact O-N 3.44Å; V8-Y10 VanDerWaalsContact C-N 3.32Å; V8-Y10 PolarHBondContact O-N 3.18Å; V8-Y66 HydrophobicContact CG1-CD1 4Å; V8-Y66 HydrophobicContact CG1-CE1 4.38Å; V8-Y66 HydrophobicContact CG1-CG 4.46Å
9	Q	57.7	Low	62.4	Low	154 Å²	154	115.7 Å²	115.7	72%	0.72	61%	0.61	S	S	*	*			trans	-68.1	106.3	168.5	-78.6	-174.4	0.2	0	0	103.2	S7 I11	S7-Q9 PolarHBondContact O-N 3.37Å; Q9-I11 WeakPolarHBondContact O-CG1 3.15Å; Q9-I11 PolarHBondContact O-N 3.44Å
10	Y	58.2	Low	63.4	Low	166 Å²	166	112.1 Å²	112.1	65%	0.651	59%	0.591	S	S	*	*			trans	-53.1	91.1	167.3	-176.7	-88.7	0	0	0	107	V8 N12 Y66	V8-Y10 VanDerWaalsContact C-N 3.32Å; V8-Y10 PolarHBondContact O-N 3.18Å; Y10-N12 PolarHBondContact O-N 3.12Å; Y10-Y66 AromaticContact CD2-CZ 3.98Å; Y10-Y66 WeakPolarHBondContact CD2-OH 3.34Å; Y10-Y66 WeakPolarHBondContact CE2-OH 3.48Å
11	I	67.9	Low	64.2	Low	85 Å²	85	111.4 Å²	111.4	44%	0.436	58%	0.584	S	S	.	*			trans	-73.4	112.8	171.9	-61.3	179.1	0	0	0	104	Q9 C15 L16 M19	Q9-I11 WeakPolarHBondContact O-CG1 3.15Å; Q9-I11 PolarHBondContact O-N 3.44Å; I11-C15 HydrophobicContact CG2-CB 4.05Å; I11-L16 HydrophobicContact CG2-CB 4.34Å; I11-M19 HydrophobicContact CD1-CE 4.4Å; I11-M19 HydrophobicContact CG2-CE 3.71Å
12	N	76.8	Confident	66.1	Low	67 Å²	67	104.8 Å²	104.8	36%	0.358	55%	0.553	S	S	.	*			trans	-47.8	129.7	175.9	177.1	-13.2	0	0	0	108.9	Y10 I14 C15 L16	Y10-N12 PolarHBondContact O-N 3.12Å; N12-I14 PolarHBondContact O-N 3.36Å; N12-I14 WeakPolarHBondContact OD1-CB 3.25Å; N12-I14 WeakPolarHBondContact OD1-CG1 3.31Å; N12-I14 PolarHBondContact OD1-N 2.89Å; N12-C15 HydrophobicContact CB-CB 4.37Å; N12-C15 WeakPolarHBondContact O-CA 3.23Å; N12-C15 WeakPolarHBondContact O-CB 3.43Å; N12-C15 PolarHBondContact O-N 3.32Å; N12-L16 PolarHBondContact O-N 2.81Å; N12-L16 VanDerWaalsContact O-N 3.08Å
13	P	74.8	Confident	68.1	Low	80 Å²	80	101 Å²	101	52%	0.519	54%	0.536	S	S	.	.	H	α-helix	trans	-53.3	-29.6	179.4	20.3	-34	0	0	0	113	L16 K17	P13-L16 PolarHBondContact O-N 3.38Å; P13-K17 PolarHBondContact O-N 2.89Å
14	I	78.9	Confident	69.7	Low	108 Å²	108	94.3 Å²	94.3	55%	0.554	52%	0.515	S	S	*	.	H	α-helix	trans	-63.4	-46	173.8	-60.1	174.1	0	0	0	110.8	N12 L16 K17 I18	N12-I14 PolarHBondContact O-N 3.36Å; N12-I14 WeakPolarHBondContact OD1-CB 3.25Å; N12-I14 WeakPolarHBondContact OD1-CG1 3.31Å; N12-I14 PolarHBondContact OD1-N 2.89Å; I14-L16 VanDerWaalsContact C-N 3.31Å; I14-L16 PolarHBondContact O-N 3.45Å; I14-K17 PolarHBondContact O-N 2.95Å; I14-I18 HydrophobicContact CG2-CD1 4.02Å; I14-I18 WeakPolarHBondContact O-CG1 3.31Å; I14-I18 PolarHBondContact O-N 3.03Å
15	C	77.2	Confident	71.2	Confident	60 Å²	60	91.8 Å²	91.8	41%	0.405	50%	0.501	S	S	.	.	H	α-helix	trans	-63.7	-39.2	177.3	-62.3	0	0	0	0	111.4	I11 N12 I18 M19	I11-C15 HydrophobicContact CG2-CB 4.05Å; N12-C15 HydrophobicContact CB-CB 4.37Å; N12-C15 WeakPolarHBondContact O-CA 3.23Å; N12-C15 WeakPolarHBondContact O-CB 3.43Å; N12-C15 PolarHBondContact O-N 3.32Å; C15-I18 PolarHBondContact O-N 3.36Å; C15-M19 WeakPolarHBondContact O-CG 3.49Å; C15-M19 PolarHBondContact O-N 3.17Å
16	L	77.5	Confident	72.7	Confident	44 Å²	44	91.2 Å²	91.2	23%	0.23	49%	0.488	C	S	.	.	H	α-helix	trans	-62.8	-44.4	176.9	-165.6	119	0	0	0	111.3	I11 N12 P13 I14 I18 M19 I20 T57	I11-L16 HydrophobicContact CG2-CB 4.34Å; N12-L16 PolarHBondContact O-N 2.81Å; N12-L16 VanDerWaalsContact O-N 3.08Å; P13-L16 PolarHBondContact O-N 3.38Å; I14-L16 VanDerWaalsContact C-N 3.31Å; I14-L16 PolarHBondContact O-N 3.45Å; L16-I18 VanDerWaalsContact C-N 3.33Å; L16-I18 PolarHBondContact O-N 2.92Å; L16-M19 PolarHBondContact O-N 2.94Å; L16-I20 HydrophobicContact CD2-CD1 3.74Å; L16-I20 HydrophobicContact CG-CD1 4.34Å; L16-I20 WeakPolarHBondContact O-CG1 3.41Å; L16-I20 PolarHBondContact O-N 2.82Å; L16-T57 HydrophobicContact CD1-CG2 4.41Å
17	K	80.8	Confident	74	Confident	136 Å²	136	89.9 Å²	89.9	59%	0.591	48%	0.481	S	S	*	.	H	α-helix	trans	-59.8	-43.4	175.6	-170.2	175.6	-177.8	-179.5	0	111.8	P13 I14 I20 H21	P13-K17 PolarHBondContact O-N 2.89Å; I14-K17 PolarHBondContact O-N 2.95Å; K17-I20 PolarHBondContact O-N 3.37Å; K17-H21 WeakPolarHBondContact CE-NE2 3.48Å; K17-H21 PolarHBondContact O-CD2 2.97Å; K17-H21 PolarHBondContact O-N 2.98Å; K17-H21 VanDerWaalsContact O-N 3.08Å
18	I	80.3	Confident	75.2	Confident	90 Å²	90	91 Å²	91	46%	0.462	48%	0.48	S	S	.	.	H	α-helix	trans	-63.3	-44.9	176.8	-67.3	166	0	0	0	110.9	I14 C15 L16 I20 H21 I22	I14-I18 HydrophobicContact CG2-CD1 4.02Å; I14-I18 WeakPolarHBondContact O-CG1 3.31Å; I14-I18 PolarHBondContact O-N 3.03Å; C15-I18 PolarHBondContact O-N 3.36Å; L16-I18 VanDerWaalsContact C-N 3.33Å; L16-I18 PolarHBondContact O-N 2.92Å; I18-I20 VanDerWaalsContact C-N 3.34Å; I18-I20 PolarHBondContact O-N 3.47Å; I18-H21 PolarHBondContact O-N 3.04Å; I18-I22 HydrophobicContact CG2-CD1 3.71Å; I18-I22 HydrophobicContact CG2-CG1 4.36Å; I18-I22 VanDerWaalsContact O-CG1 3.31Å; I18-I22 WeakPolarHBondContact O-CG1 3.4Å; I18-I22 PolarHBondContact O-N 3.06Å
19	M	82.7	Confident	76.1	Confident	99 Å²	99	91 Å²	91	49%	0.488	48%	0.475	S	S	.	.	H	α-helix	trans	-61.7	-41.2	178.6	-77	-171.2	-69	0	0	112.5	I11 C15 L16 I22 A23	I11-M19 HydrophobicContact CD1-CE 4.4Å; I11-M19 HydrophobicContact CG2-CE 3.71Å; C15-M19 WeakPolarHBondContact O-CG 3.49Å; C15-M19 PolarHBondContact O-N 3.17Å; L16-M19 PolarHBondContact O-N 2.94Å; M19-I22 PolarHBondContact O-N 3.19Å; M19-A23 WeakPolarHBondContact O-CB 3.31Å; M19-A23 PolarHBondContact O-N 2.93Å
20	I	81.8	Confident	76.5	Confident	43 Å²	43	87.9 Å²	87.9	22%	0.221	46%	0.464	C	S	.	.	H	α-helix	trans	-62.2	-48.2	176.4	-68	168.1	0	0	0	110.2	L16 K17 I18 I22 A23 E24	L16-I20 HydrophobicContact CD2-CD1 3.74Å; L16-I20 HydrophobicContact CG-CD1 4.34Å; L16-I20 WeakPolarHBondContact O-CG1 3.41Å; L16-I20 PolarHBondContact O-N 2.82Å; K17-I20 PolarHBondContact O-N 3.37Å; I18-I20 VanDerWaalsContact C-N 3.34Å; I18-I20 PolarHBondContact O-N 3.47Å; I20-I22 VanDerWaalsContact C-N 3.33Å; I20-I22 PolarHBondContact O-N 2.88Å; I20-A23 PolarHBondContact O-N 3.16Å; I20-A23 VanDerWaalsContact O-N 3.14Å; I20-E24 HydrophobicContact CG2-CG 4.42Å; I20-E24 PolarHBondContact O-N 3.27Å
21	H	79.8	Confident	76.8	Confident	99 Å²	99	81.7 Å²	81.7	46%	0.458	45%	0.45	S	S	.	.	H	α-helix	trans	-61.9	-38.5	178.9	-72.5	-47.5	0	0	0	113.1	K17 I18 E24 A25	K17-H21 WeakPolarHBondContact CE-NE2 3.48Å; K17-H21 PolarHBondContact O-CD2 2.97Å; K17-H21 PolarHBondContact O-N 2.98Å; K17-H21 VanDerWaalsContact O-N 3.08Å; I18-H21 PolarHBondContact O-N 3.04Å; H21-E24 IonicContact ND1-OE2 3.75Å; H21-A25 VanDerWaalsContact O-CB 3.31Å; H21-A25 WeakPolarHBondContact O-CB 3.25Å; H21-A25 PolarHBondContact O-N 3.38Å
22	I	80.2	Confident	76.7	Confident	98 Å²	98	83.4 Å²	83.4	50%	0.503	46%	0.46	S	S	.	.	H	α-helix	trans	-65.8	-43.3	174.9	-66.3	167.9	0	0	0	110.3	I18 M19 I20 A25 V26	I18-I22 HydrophobicContact CG2-CD1 3.71Å; I18-I22 HydrophobicContact CG2-CG1 4.36Å; I18-I22 VanDerWaalsContact O-CG1 3.31Å; I18-I22 WeakPolarHBondContact O-CG1 3.4Å; I18-I22 PolarHBondContact O-N 3.06Å; M19-I22 PolarHBondContact O-N 3.19Å; I20-I22 VanDerWaalsContact C-N 3.33Å; I20-I22 PolarHBondContact O-N 2.88Å; I22-A25 PolarHBondContact O-N 3.32Å; I22-V26 HydrophobicContact CG2-CG2 4.3Å; I22-V26 WeakPolarHBondContact O-CB 3.41Å; I22-V26 VanDerWaalsContact O-CG2 3.25Å; I22-V26 WeakPolarHBondContact O-CG2 3.32Å; I22-V26 PolarHBondContact O-N 3.43Å
23	A	82.1	Confident	75.9	Confident	57 Å²	57	84.7 Å²	84.7	47%	0.471	47%	0.47	S	S	.	.	H	α-helix	trans	-63.8	-42.2	179.2	0	0	0	0	0	112.1	M19 I20 L27	M19-A23 WeakPolarHBondContact O-CB 3.31Å; M19-A23 PolarHBondContact O-N 2.93Å; I20-A23 PolarHBondContact O-N 3.16Å; I20-A23 VanDerWaalsContact O-N 3.14Å; A23-L27 VanDerWaalsContact O-CB 3.31Å; A23-L27 WeakPolarHBondContact O-CB 3.47Å; A23-L27 PolarHBondContact O-N 3.14Å
24	E	80.2	Confident	75	Confident	96 Å²	96	85.9 Å²	85.9	45%	0.449	46%	0.464	S	S	.	.	H	α-helix	trans	-62.3	-48.8	173.3	-74.8	179.9	153	0	0	111.2	I20 H21 V26 L27 D28	I20-E24 HydrophobicContact CG2-CG 4.42Å; I20-E24 PolarHBondContact O-N 3.27Å; H21-E24 IonicContact ND1-OE2 3.75Å; E24-V26 VanDerWaalsContact C-N 3.34Å; E24-V26 PolarHBondContact O-N 3.08Å; E24-L27 CarbonylContact O-C 3.58Å; E24-L27 WeakPolarHBondContact O-CA 3.44Å; E24-L27 WeakPolarHBondContact O-CB 3.35Å; E24-L27 PolarHBondContact O-N 2.93Å; E24-D28 PolarHBondContact O-N 3.38Å
25	A	79	Confident	74.1	Confident	49 Å²	49	89.1 Å²	89.1	41%	0.405	48%	0.477	S	S	.	.	H	α-helix	trans	-61	-41.2	179.4	0	0	0	0	0	112.7	H21 I22 L27 D28 L29	H21-A25 VanDerWaalsContact O-CB 3.31Å; H21-A25 WeakPolarHBondContact O-CB 3.25Å; H21-A25 PolarHBondContact O-N 3.38Å; I22-A25 PolarHBondContact O-N 3.32Å; A25-L27 VanDerWaalsContact C-N 3.31Å; A25-D28 PolarHBondContact O-N 3.09Å; A25-L29 WeakPolarHBondContact O-CB 3.41Å; A25-L29 VanDerWaalsContact O-CG 3.23Å; A25-L29 WeakPolarHBondContact O-CG 3.32Å; A25-L29 PolarHBondContact O-N 2.99Å
26	V	79.7	Confident	73.3	Confident	78 Å²	78	95.3 Å²	95.3	47%	0.473	50%	0.497	S	S	.	.	H	α-helix	trans	-66.7	-36	175	171.8	0	0	0	0	111.1	I22 E24 N30	I22-V26 HydrophobicContact CG2-CG2 4.3Å; I22-V26 WeakPolarHBondContact O-CB 3.41Å; I22-V26 VanDerWaalsContact O-CG2 3.25Å; I22-V26 WeakPolarHBondContact O-CG2 3.32Å; I22-V26 PolarHBondContact O-N 3.43Å; E24-V26 VanDerWaalsContact C-N 3.34Å; E24-V26 PolarHBondContact O-N 3.08Å; V26-N30 PolarHBondContact O-N 2.87Å
27	L	76.3	Confident	72.1	Confident	75 Å²	75	97.5 Å²	97.5	39%	0.393	51%	0.512	S	S	.	.	H	α-helix	trans	-68.3	-43.1	176.9	-167.4	70.5	0	0	0	111.5	A23 E24 A25 N30 G31	A23-L27 VanDerWaalsContact O-CB 3.31Å; A23-L27 WeakPolarHBondContact O-CB 3.47Å; A23-L27 PolarHBondContact O-N 3.14Å; E24-L27 CarbonylContact O-C 3.58Å; E24-L27 WeakPolarHBondContact O-CA 3.44Å; E24-L27 WeakPolarHBondContact O-CB 3.35Å; E24-L27 PolarHBondContact O-N 2.93Å; A25-L27 VanDerWaalsContact C-N 3.31Å; L27-N30 CarbonylContact O-C 3.55Å; L27-N30 WeakPolarHBondContact O-CB 3.45Å; L27-N30 PolarHBondContact O-N 3.27Å; L27-N30 VanDerWaalsContact O-N 3.17Å; L27-G31 PolarHBondContact O-N 3.47Å
28	D	75.3	Confident	71	Confident	119 Å²	119	94.6 Å²	94.6	64%	0.636	52%	0.521	S	S	*	.	H	α-helix	trans	-64.3	-40.8	177	-74.2	-20.6	0	0	0	111.5	E24 A25 N30 G31 L32	E24-D28 PolarHBondContact O-N 3.38Å; A25-D28 PolarHBondContact O-N 3.09Å; D28-N30 VanDerWaalsContact C-N 3.31Å; D28-N30 PolarHBondContact O-N 3.41Å; D28-G31 WeakPolarHBondContact O-CA 3.39Å; D28-G31 PolarHBondContact O-N 2.95Å; D28-G31 VanDerWaalsContact O-N 3.12Å; D28-L32 PolarHBondContact O-N 3.29Å
29	L	70	Confident	69.3	Low	107 Å²	107	95.6 Å²	95.6	56%	0.56	53%	0.527	S	S	*	.	H	α-helix	trans	-61.2	-40.6	172.6	-74	171.3	0	0	0	111.5	A25 G31 L32 V33	A25-L29 WeakPolarHBondContact O-CB 3.41Å; A25-L29 VanDerWaalsContact O-CG 3.23Å; A25-L29 WeakPolarHBondContact O-CG 3.32Å; A25-L29 PolarHBondContact O-N 2.99Å; L29-G31 VanDerWaalsContact C-N 3.35Å; L29-L32 PolarHBondContact O-N 2.89Å; L29-V33 WeakPolarHBondContact O-CG2 3.37Å; L29-V33 PolarHBondContact O-N 3.43Å
30	N	66.9	Low	67.6	Low	90 Å²	90	97.3 Å²	97.3	48%	0.481	54%	0.543	S	S	.	.	H	α-helix	trans	-68.4	-33.9	173.8	-85.2	1.7	0	0	0	112.3	V26 L27 D28 L32 V33 R34	V26-N30 PolarHBondContact O-N 2.87Å; L27-N30 CarbonylContact O-C 3.55Å; L27-N30 WeakPolarHBondContact O-CB 3.45Å; L27-N30 PolarHBondContact O-N 3.27Å; L27-N30 VanDerWaalsContact O-N 3.17Å; D28-N30 VanDerWaalsContact C-N 3.31Å; D28-N30 PolarHBondContact O-N 3.41Å; N30-L32 VanDerWaalsContact C-N 3.34Å; N30-V33 PolarHBondContact O-N 2.99Å; N30-R34 VanDerWaalsContact O-CB 3.25Å; N30-R34 WeakPolarHBondContact O-CB 3.31Å; N30-R34 WeakPolarHBondContact O-CG 3.48Å; N30-R34 PolarHBondContact O-N 3.25Å
31	G	63.7	Low	66.2	Low	35 Å²	35	100.3 Å²	100.3	36%	0.361	57%	0.567	S	S	.	*	H	α-helix	trans	-60.2	-44.4	171.4	0	0	0	0	0	111.6	L27 D28 L29 R34 Q35	L27-G31 PolarHBondContact O-N 3.47Å; D28-G31 WeakPolarHBondContact O-CA 3.39Å; D28-G31 PolarHBondContact O-N 2.95Å; D28-G31 VanDerWaalsContact O-N 3.12Å; L29-G31 VanDerWaalsContact C-N 3.35Å; G31-R34 PolarHBondContact O-N 2.86Å; G31-Q35 PolarHBondContact O-N 3.44Å; G31-Q35 VanDerWaalsContact O-N 3.09Å
32	L	66.3	Low	64.9	Low	122 Å²	122	100.6 Å²	100.6	64%	0.639	58%	0.577	S	S	*	*	H	α-helix	trans	-65	-43.7	177	-172.5	68.2	0	0	0	112.1	D28 L29 N30 R34 Q35	D28-L32 PolarHBondContact O-N 3.29Å; L29-L32 PolarHBondContact O-N 2.89Å; N30-L32 VanDerWaalsContact C-N 3.34Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 3.46Å; L32-Q35 PolarHBondContact O-N 2.97Å
33	V	60.7	Low	63.6	Low	93 Å²	93	99.6 Å²	99.6	56%	0.564	57%	0.572	S	S	*	*	H	α-helix	trans	-66.5	-36.5	177.1	174.2	0	0	0	0	111.2	L29 N30 K36 T37	L29-V33 WeakPolarHBondContact O-CG2 3.37Å; L29-V33 PolarHBondContact O-N 3.43Å; N30-V33 PolarHBondContact O-N 2.99Å; V33-K36 PolarHBondContact O-N 2.94Å; V33-T37 PolarHBondContact O-N 2.69Å
34	R	56.4	Low	62.2	Low	105 Å²	105	103.5 Å²	103.5	40%	0.396	59%	0.585	S	S	.	*	H	α-helix	trans	-73.5	-25.5	-179.8	-73.8	178.9	111.4	-134.4	-6.7	113.9	N30 G31 L32 K36 T37 L39 L43	N30-R34 VanDerWaalsContact O-CB 3.25Å; N30-R34 WeakPolarHBondContact O-CB 3.31Å; N30-R34 WeakPolarHBondContact O-CG 3.48Å; N30-R34 PolarHBondContact O-N 3.25Å; G31-R34 PolarHBondContact O-N 2.86Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 3.46Å; R34-K36 PolarHBondContact O-N 3.39Å; R34-T37 CarbonylContact O-C 3.51Å; R34-T37 PolarHBondContact O-N 2.93Å; R34-L39 PolarHBondContact NH2-O 3.45Å; R34-L43 VanDerWaalsContact CZ-CG 3.48Å; R34-L43 VanDerWaalsContact NH1-CD1 3.29Å
35	Q	59.8	Low	61	Low	176 Å²	176	104.7 Å²	104.7	82%	0.822	60%	0.602	S	S	*	*	H	α-helix	trans	-66.9	-24	170	-74.3	-169.9	30.8	0	0	112.5	G31 L32	G31-Q35 PolarHBondContact O-N 3.44Å; G31-Q35 VanDerWaalsContact O-N 3.09Å; L32-Q35 PolarHBondContact O-N 2.97Å
36	K	59.6	Low	60	Low	190 Å²	190	104.5 Å²	104.5	83%	0.826	60%	0.598	S	S	*	*	H	α-helix	trans	-84	-23.6	178.3	-164	162.6	-177.7	175.1	0	113.6	V33 R34	V33-K36 PolarHBondContact O-N 2.94Å; R34-K36 PolarHBondContact O-N 3.39Å
37	T	53.3	Low	59	Low	90 Å²	90	107 Å²	107	55%	0.552	60%	0.6	S	S	*	*	S	Bend	trans	-123.8	96.8	-178.4	-49.3	0	0	0	0	108	V33 R34 L39	V33-T37 PolarHBondContact O-N 2.69Å; R34-T37 CarbonylContact O-C 3.51Å; R34-T37 PolarHBondContact O-N 2.93Å; T37-L39 PolarHBondContact O-N 2.81Å
38	G	56	Low	57.9	Low	76 Å²	76	105.2 Å²	105.2	78%	0.784	60%	0.599	S	S	*	*			trans	-59.9	70.2	-178.3	0	0	0	0	0	114.3
39	L	44.9	Very low	57.1	Low	111 Å²	111	107 Å²	107	58%	0.581	60%	0.602	S	S	*	*			trans	-113.3	64.1	174.3	-146.7	94.1	0	0	0	109.4	R34 T37 S41	R34-L39 PolarHBondContact NH2-O 3.45Å; T37-L39 PolarHBondContact O-N 2.81Å; L39-S41 PolarHBondContact O-N 2.92Å
40	T	48.5	Very low	56.7	Low	135 Å²	135	109.7 Å²	109.7	83%	0.828	60%	0.604	S	S	*	*			trans	-69.3	103.2	162.8	-46.5	0	0	0	0	107.8
41	S	51.6	Low	56.2	Low	105 Å²	105	108.4 Å²	108.4	73%	0.734	60%	0.6	S	S	*	*	S	Bend	trans	171.1	-17.9	149.4	38.1	0	0	0	0	115.6	L39	L39-S41 PolarHBondContact O-N 2.92Å
42	T	52	Low	56.1	Low	106 Å²	106	110.3 Å²	110.3	65%	0.65	61%	0.607	S	S	*	*	S	Bend	trans	-105.7	-8.5	-168	-17.8	0	0	0	0	116.8
43	L	52.9	Low	55.7	Low	76 Å²	76	108 Å²	108	40%	0.398	60%	0.596	S	S	.	*	S	Bend	trans	-99.7	-2	-176.7	-72.2	-169.5	0	0	0	115.5	R34 C45 S46 Y47	R34-L43 VanDerWaalsContact CZ-CG 3.48Å; R34-L43 VanDerWaalsContact NH1-CD1 3.29Å; L43-C45 VanDerWaalsContact C-N 3.33Å; L43-C45 PolarHBondContact O-N 3.27Å; L43-S46 WeakPolarHBondContact CD2-OG 3.45Å; L43-S46 PolarHBondContact O-N 3.43Å; L43-S46 PolarHBondContact O-OG 3.32Å; L43-S46 VanDerWaalsContact O-OG 3.06Å; L43-Y47 WeakPolarHBondContact O-CB 3.21Å; L43-Y47 PolarHBondContact O-N 3.03Å
44	D	53	Low	55.5	Low	140 Å²	140	106.5 Å²	106.5	75%	0.749	59%	0.586	S	S	*	*	H	α-helix	trans	-63.6	-38.4	-172.4	-131.8	4.3	0	0	0	112.5
45	C	54.9	Low	55.7	Low	121 Å²	121	110.7 Å²	110.7	82%	0.818	60%	0.602	S	S	*	*	H	α-helix	trans	-70.5	-36.4	178.2	-159.8	0	0	0	0	112.6	L43	L43-C45 VanDerWaalsContact C-N 3.33Å; L43-C45 PolarHBondContact O-N 3.27Å
46	S	58.4	Low	55.7	Low	44 Å²	44	105.1 Å²	105.1	31%	0.308	58%	0.582	S	S	.	*	H	α-helix	trans	-79.6	-26.2	179.3	74	0	0	0	0	113.4	L43 F49 R50	L43-S46 WeakPolarHBondContact CD2-OG 3.45Å; L43-S46 PolarHBondContact O-N 3.43Å; L43-S46 PolarHBondContact O-OG 3.32Å; L43-S46 VanDerWaalsContact O-OG 3.06Å; S46-F49 PolarHBondContact O-N 2.99Å; S46-R50 WeakPolarHBondContact O-CG 3.36Å; S46-R50 PolarHBondContact O-N 3.45Å
47	Y	58.9	Low	55.6	Low	131 Å²	131	97.5 Å²	97.5	51%	0.514	55%	0.552	S	S	.	*	H	α-helix	trans	-69.3	-48.1	-178.2	-176.5	-103.2	0	0	0	110.8	L43 F49 R50 V51	L43-Y47 WeakPolarHBondContact O-CB 3.21Å; L43-Y47 PolarHBondContact O-N 3.03Å; Y47-F49 PolarHBondContact O-N 3.44Å; Y47-R50 PolarHBondContact O-N 3.45Å; Y47-R50 VanDerWaalsContact O-N 3.16Å; Y47-V51 HydrophobicContact CD1-CG2 4.21Å; Y47-V51 HydrophobicContact CD2-CG2 4.45Å; Y47-V51 HydrophobicContact CE1-CG2 3.83Å; Y47-V51 HydrophobicContact CE2-CG2 4.09Å; Y47-V51 WeakPolarHBondContact O-CG2 3.37Å; Y47-V51 PolarHBondContact O-N 3.31Å
48	G	53.7	Low	55.6	Low	37 Å²	37	96.9 Å²	96.9	38%	0.381	55%	0.545	S	S	.	.	H	α-helix	trans	-56.6	-38.5	173.6	0	0	0	0	0	112.3	S52	G48-S52 WeakPolarHBondContact O-CB 3.14Å; G48-S52 PolarHBondContact O-N 3.34Å; G48-S52 PolarHBondContact O-OG 3Å
49	F	58.2	Low	55.4	Low	158 Å²	158	99.4 Å²	99.4	69%	0.693	54%	0.535	S	S	*	.	H	α-helix	trans	-69.3	-41.1	177.9	-143.1	-89.1	0	0	0	112.6	S46 Y47 S52 L53	S46-F49 PolarHBondContact O-N 2.99Å; Y47-F49 PolarHBondContact O-N 3.44Å; F49-S52 PolarHBondContact O-N 2.69Å; F49-L53 WeakPolarHBondContact O-CB 3.32Å; F49-L53 PolarHBondContact O-N 3.04Å
50	R	60.1	Low	55.8	Low	162 Å²	162	95.4 Å²	95.4	61%	0.611	52%	0.517	S	S	*	.	H	α-helix	trans	-68.1	-44.6	177.3	-74.9	-176.4	-170.1	-128	2.5	112.2	S46 Y47 S52 L53 V54	S46-R50 WeakPolarHBondContact O-CG 3.36Å; S46-R50 PolarHBondContact O-N 3.45Å; Y47-R50 PolarHBondContact O-N 3.45Å; Y47-R50 VanDerWaalsContact O-N 3.16Å; R50-S52 VanDerWaalsContact C-N 3.29Å; R50-S52 PolarHBondContact O-N 3.48Å; R50-L53 WeakPolarHBondContact O-CB 3.43Å; R50-L53 PolarHBondContact O-N 2.93Å; R50-V54 WeakPolarHBondContact O-CG2 3.45Å; R50-V54 PolarHBondContact O-N 3.32Å
51	V	56.9	Low	56	Low	64 Å²	64	92.5 Å²	92.5	39%	0.388	50%	0.502	S	S	.	.	H	α-helix	trans	-62.9	-40.2	175.9	176.7	0	0	0	0	110.3	Y47 V54 R55	Y47-V51 HydrophobicContact CD1-CG2 4.21Å; Y47-V51 HydrophobicContact CD2-CG2 4.45Å; Y47-V51 HydrophobicContact CE1-CG2 3.83Å; Y47-V51 HydrophobicContact CE2-CG2 4.09Å; Y47-V51 WeakPolarHBondContact O-CG2 3.37Å; Y47-V51 PolarHBondContact O-N 3.31Å; V51-V54 PolarHBondContact O-N 3.43Å; V51-R55 VanDerWaalsContact O-CB 3.31Å; V51-R55 WeakPolarHBondContact O-CB 3.43Å; V51-R55 PolarHBondContact O-N 3.3Å
52	S	61.8	Low	55.9	Low	74 Å²	74	94.2 Å²	94.2	52%	0.517	50%	0.502	S	S	.	.	H	α-helix	trans	-65.3	-39.7	175.5	-60.7	0	0	0	0	112.4	G48 F49 R50 R55 S56	G48-S52 WeakPolarHBondContact O-CB 3.14Å; G48-S52 PolarHBondContact O-N 3.34Å; G48-S52 PolarHBondContact O-OG 3Å; F49-S52 PolarHBondContact O-N 2.69Å; R50-S52 VanDerWaalsContact C-N 3.29Å; R50-S52 PolarHBondContact O-N 3.48Å; S52-R55 PolarHBondContact O-N 2.96Å; S52-S56 WeakPolarHBondContact O-CB 3.44Å; S52-S56 PolarHBondContact O-N 3.04Å
53	L	58.6	Low	55.6	Low	75 Å²	75	94.8 Å²	94.8	39%	0.393	50%	0.5	S	S	.	.	H	α-helix	trans	-61.7	-47.7	175.8	-169.3	84.5	0	0	0	111	F49 R50 S56 T57 I69	F49-L53 WeakPolarHBondContact O-CB 3.32Å; F49-L53 PolarHBondContact O-N 3.04Å; R50-L53 WeakPolarHBondContact O-CB 3.43Å; R50-L53 PolarHBondContact O-N 2.93Å; L53-S56 PolarHBondContact O-N 3.43Å; L53-T57 WeakPolarHBondContact O-CB 3.44Å; L53-T57 PolarHBondContact O-N 2.85Å; L53-T57 PolarHBondContact O-OG1 3.35Å; L53-I69 HydrophobicContact CD1-CG2 3.96Å
54	V	56.5	Low	55.4	Low	60 Å²	60	94 Å²	94	36%	0.364	51%	0.511	S	S	.	.	H	α-helix	trans	-64	-45.8	178.6	174.6	0	0	0	0	110.5	R50 V51 S56 T57 I58	R50-V54 WeakPolarHBondContact O-CG2 3.45Å; R50-V54 PolarHBondContact O-N 3.32Å; V51-V54 PolarHBondContact O-N 3.43Å; V54-S56 PolarHBondContact O-N 3.48Å; V54-T57 WeakPolarHBondContact O-CB 3.37Å; V54-T57 PolarHBondContact O-N 2.95Å; V54-I58 HydrophobicContact CG1-CD1 3.91Å; V54-I58 WeakPolarHBondContact O-CG1 3.33Å; V54-I58 PolarHBondContact O-N 3.38Å
55	R	60.8	Low	55	Low	193 Å²	193	93.9 Å²	93.9	73%	0.728	51%	0.51	S	S	*	.	H	α-helix	trans	-64.7	-39.8	178.3	-166.4	177.9	-168.3	-179.8	4.3	112.5	V51 S52 T57 I58 H59	V51-R55 VanDerWaalsContact O-CB 3.31Å; V51-R55 WeakPolarHBondContact O-CB 3.43Å; V51-R55 PolarHBondContact O-N 3.3Å; S52-R55 PolarHBondContact O-N 2.96Å; R55-T57 VanDerWaalsContact C-N 3.34Å; R55-I58 PolarHBondContact O-N 3.18Å; R55-H59 WeakPolarHBondContact O-CB 3.41Å; R55-H59 PolarHBondContact O-N 3.08Å
56	S	58.2	Low	54.6	Low	59 Å²	59	94.8 Å²	94.8	41%	0.413	50%	0.497	S	S	.	.	H	α-helix	trans	-64.7	-41.5	176.3	-169.8	0	0	0	0	110.8	S52 L53 V54 I58 H59 S60	S52-S56 WeakPolarHBondContact O-CB 3.44Å; S52-S56 PolarHBondContact O-N 3.04Å; L53-S56 PolarHBondContact O-N 3.43Å; V54-S56 PolarHBondContact O-N 3.48Å; S56-I58 PolarHBondContact O-N 2.72Å; S56-H59 PolarHBondContact O-N 3.2Å; S56-S60 WeakPolarHBondContact O-CB 3.35Å; S56-S60 PolarHBondContact O-N 3.18Å; S56-S60 PolarHBondContact O-OG 3.38Å
57	T	58.2	Low	53.9	Low	30 Å²	30	100.2 Å²	100.2	18%	0.184	52%	0.515	C	S	.	.	H	α-helix	trans	-59.4	-46.9	174.5	-51.5	0	0	0	0	110.9	L16 L53 V54 R55 S60 S61 I69	L16-T57 HydrophobicContact CD1-CG2 4.41Å; L53-T57 WeakPolarHBondContact O-CB 3.44Å; L53-T57 PolarHBondContact O-N 2.85Å; L53-T57 PolarHBondContact O-OG1 3.35Å; V54-T57 WeakPolarHBondContact O-CB 3.37Å; V54-T57 PolarHBondContact O-N 2.95Å; R55-T57 VanDerWaalsContact C-N 3.34Å; T57-S60 PolarHBondContact O-N 3.04Å; T57-S61 WeakPolarHBondContact O-CB 2.97Å; T57-S61 PolarHBondContact O-N 3.18Å; T57-S61 PolarHBondContact O-OG 3.11Å; T57-S61 VanDerWaalsContact O-OG 3.04Å; T57-I69 HydrophobicContact CG2-CD1 4.37Å; T57-I69 WeakPolarHBondContact OG1-CD1 3.05Å
58	I	54.3	Low	53.3	Low	78 Å²	78	99 Å²	99	40%	0.4	52%	0.517	S	S	.	.	H	α-helix	trans	-65.7	-44	180	-64.8	164.7	0	0	0	111.6	V54 R55 S56 S60 S61 L62	V54-I58 HydrophobicContact CG1-CD1 3.91Å; V54-I58 WeakPolarHBondContact O-CG1 3.33Å; V54-I58 PolarHBondContact O-N 3.38Å; R55-I58 PolarHBondContact O-N 3.18Å; S56-I58 PolarHBondContact O-N 2.72Å; I58-S60 VanDerWaalsContact C-N 3.35Å; I58-S60 PolarHBondContact O-N 3.37Å; I58-S61 PolarHBondContact O-N 2.74Å; I58-L62 HydrophobicContact CG2-CD1 4.03Å; I58-L62 PolarHBondContact O-N 2.88Å
59	H	51.2	Low	53	Low	128 Å²	128	100.6 Å²	100.6	59%	0.593	52%	0.516	S	S	*	.	H	α-helix	trans	-69.4	-33.5	-178.2	-166.6	-84.7	0	0	0	112.3	R55 S56	R55-H59 WeakPolarHBondContact O-CB 3.41Å; R55-H59 PolarHBondContact O-N 3.08Å; S56-H59 PolarHBondContact O-N 3.2Å
60	S	54	Low	52.2	Low	27 Å²	27	98.4 Å²	98.4	19%	0.189	52%	0.515	C	S	.	.	H	α-helix	trans	-79.4	-25	177.1	-68.2	0	0	0	0	113.7	S56 T57 I58	S56-S60 WeakPolarHBondContact O-CB 3.35Å; S56-S60 PolarHBondContact O-N 3.18Å; S56-S60 PolarHBondContact O-OG 3.38Å; T57-S60 PolarHBondContact O-N 3.04Å; I58-S60 VanDerWaalsContact C-N 3.35Å; I58-S60 PolarHBondContact O-N 3.37Å
61	S	50.9	Low	51.4	Low	75 Å²	75	96.8 Å²	96.8	52%	0.524	52%	0.518	S	S	.	.	H	α-helix	trans	-81.9	-23.2	177.6	-63.9	0	0	0	0	114.4	T57 I58	T57-S61 WeakPolarHBondContact O-CB 2.97Å; T57-S61 PolarHBondContact O-N 3.18Å; T57-S61 PolarHBondContact O-OG 3.11Å; T57-S61 VanDerWaalsContact O-OG 3.04Å; I58-S61 PolarHBondContact O-N 2.74Å
62	L	50	Low	50.3	Low	141 Å²	141	99.2 Å²	99.2	74%	0.738	53%	0.529	S	S	*	.	H	α-helix	trans	-88.7	-22.3	-177	-82.3	166.7	0	0	0	114.5	I58	I58-L62 HydrophobicContact CG2-CD1 4.03Å; I58-L62 PolarHBondContact O-N 2.88Å
63	I	46.9	Very low	49.2	Very low	117 Å²	117	106.9 Å²	106.9	60%	0.6	55%	0.546	S	S	*	.	S	Bend	trans	-104.3	75.7	176.9	-62.4	172.3	0	0	0	108.3	D65	I63-D65 PolarHBondContact O-N 3Å
64	G	48	Very low	48.4	Very low	61 Å²	61	116.6 Å²	116.6	63%	0.629	58%	0.579	S	S	*	*	S	Bend	trans	66.1	-36.1	150.3	0	0	0	0	0	120.5
65	D	44.8	Very low	48	Very low	136 Å²	136	119.4 Å²	119.4	73%	0.727	59%	0.59	S	S	*	*	S	Bend	trans	-145	93	-160.5	-69.2	-61.3	0	0	0	110.8	I63 K67	I63-D65 PolarHBondContact O-N 3Å; D65-K67 PolarHBondContact O-N 2.66Å
66	Y	45.7	Very low	47.4	Very low	140 Å²	140	115.5 Å²	115.5	55%	0.549	58%	0.583	S	S	.	*			trans	1.1	81.5	156.1	-71.6	-95.6	0	0	0	115.6	V8 Y10	V8-Y66 HydrophobicContact CG1-CD1 4Å; V8-Y66 HydrophobicContact CG1-CE1 4.38Å; V8-Y66 HydrophobicContact CG1-CG 4.46Å; Y10-Y66 AromaticContact CD2-CZ 3.98Å; Y10-Y66 WeakPolarHBondContact CD2-OH 3.34Å; Y10-Y66 WeakPolarHBondContact CE2-OH 3.48Å
67	K	43.5	Very low	46.8	Very low	158 Å²	158	118.7 Å²	118.7	69%	0.687	59%	0.592	S	S	*	*			trans	-96	110.8	175.9	-153.5	166.9	-178.3	170.9	0	110.4	D65 I69	D65-K67 PolarHBondContact O-N 2.66Å; K67-I69 PolarHBondContact O-N 2.93Å
68	I	46.6	Very low	46.1	Very low	106 Å²	106	123.9 Å²	123.9	54%	0.544	62%	0.616	S	S	.	*			trans	-51.4	119.7	-178.1	-62.7	166.6	0	0	0	110.9	L6 T70	L6-I68 HydrophobicContact CD1-CG2 3.46Å; L6-I68 VanDerWaalsContact CD1-CG2 3.46Å; I68-T70 PolarHBondContact O-N 2.83Å
69	I	48	Very low	45.6	Very low	70 Å²	70	126.8 Å²	126.8	36%	0.359	63%	0.63	S	S	.	*			trans	-78.3	97.9	170.7	-58.1	172.9	0	0	0	107.3	L53 T57 K67 I71	L53-I69 HydrophobicContact CD1-CG2 3.96Å; T57-I69 HydrophobicContact CG2-CD1 4.37Å; T57-I69 WeakPolarHBondContact OG1-CD1 3.05Å; K67-I69 PolarHBondContact O-N 2.93Å; I69-I71 HydrophobicContact CG2-CG1 4.22Å; I69-I71 PolarHBondContact O-N 2.77Å
70	T	40.1	Very low	45.2	Very low	112 Å²	112	126.7 Å²	126.7	69%	0.687	63%	0.632	S	S	*	*			trans	-75.1	101.5	172.1	-33.3	0	0	0	0	108.3	I68 D72	I68-T70 PolarHBondContact O-N 2.83Å; T70-D72 PolarHBondContact O-N 2.95Å
71	I	45.1	Very low	44.6	Very low	128 Å²	128	133.8 Å²	133.8	66%	0.656	66%	0.664	S	S	*	*			trans	-78.6	95.3	167.7	-55.7	175.8	0	0	0	106.4	I69 R73	I69-I71 HydrophobicContact CG2-CG1 4.22Å; I69-I71 PolarHBondContact O-N 2.77Å; I71-R73 PolarHBondContact O-N 3.23Å; I71-R73 VanDerWaalsContact O-N 3.11Å
72	D	33.9	Very low	44.1	Very low	116 Å²	116	138.3 Å²	138.3	62%	0.62	68%	0.675	S	S	*	*			trans	-71.6	101.8	170.2	-152.9	62.1	0	0	0	107.7	T70 Y74	T70-D72 PolarHBondContact O-N 2.95Å; D72-Y74 PolarHBondContact O-N 2.99Å; D72-Y74 WeakPolarHBondContact OD2-CD2 3.49Å; D72-Y74 WeakPolarHBondContact OD2-CE2 3.11Å
73	R	37.6	Very low	43.6	Very low	235 Å²	235	138.1 Å²	138.1	89%	0.887	67%	0.67	S	S	*	*			trans	-79.8	100.5	170.4	-108	-177	175.6	168.4	-1.1	106.7	I71	I71-R73 PolarHBondContact O-N 3.23Å; I71-R73 VanDerWaalsContact O-N 3.11Å
74	Y	42.8	Very low	43.3	Very low	278 Å²	278	140 Å²	140	100%	1.09	68%	0.676	S	S	*	*			trans	-74.8	0	157.5	-89.6	-83.3	0	0	0	110.4	D72	D72-Y74 PolarHBondContact O-N 2.99Å; D72-Y74 WeakPolarHBondContact OD2-CD2 3.49Å; D72-Y74 WeakPolarHBondContact OD2-CE2 3.11Å

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