A0A5K4F666_SCHMA Loading...

MSP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F666, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 68 aa.

						>A0A5K4F666_SCHMA|A0A5K4F666
MVYIGWQTKACEVVYECCTPLPREYLDVGEQTETLEVEYENQHEKSIDKIVWRLRPDFGDVPSRCMWI
					

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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	31.3	Very low	37.7	Very low	167 Å²	167	73.8 Å²	73.8	82%	0.823	39%	0.389	S	S	*	.				0	152.1	0	-82.6	173	-138.6	0	0	108.3	Y3	M1-Y3 HydrophobicContact CB-CD2 4.23Å; M1-Y3 HydrophobicContact CB-CE1 4.29Å; M1-Y3 HydrophobicContact CB-CE2 3.55Å; M1-Y3 WeakPolarHBondContact O-CD2 3.39Å; M1-Y3 PolarHBondContact SD-OH 3.12Å
2	V	33.5	Very low	37.8	Very low	100 Å²	100	84.5 Å²	84.5	61%	0.606	44%	0.435	S	S	*	.			trans	-90.3	110.3	171.7	178.9	0	0	0	0	107.8	I4 V51	V2-I4 HydrophobicContact CG1-CG1 4.26Å; V2-V51 HydrophobicContact CG1-CB 3.67Å; V2-V51 HydrophobicContact CG1-CG2 3.6Å
3	Y	38.5	Very low	37.7	Very low	75 Å²	75	83.8 Å²	83.8	29%	0.294	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-91.4	139.8	173.3	-56.9	-88.5	0	0	0	108.3	M1 I50 V51 I68	M1-Y3 HydrophobicContact CB-CD2 4.23Å; M1-Y3 HydrophobicContact CB-CE1 4.29Å; M1-Y3 HydrophobicContact CB-CE2 3.55Å; M1-Y3 WeakPolarHBondContact O-CD2 3.39Å; M1-Y3 PolarHBondContact SD-OH 3.12Å; Y3-I50 HydrophobicContact CD2-CG1 4.25Å; Y3-I50 WeakPolarHBondContact O-CG2 3.41Å; Y3-V51 PolarHBondContact O-N 2.9Å; Y3-I68 WeakPolarHBondContact CE1-O 3.29Å
4	I	40.4	Very low	37.8	Very low	44 Å²	44	81.3 Å²	81.3	23%	0.226	43%	0.427	C	S	.	.			trans	-124.8	111	176.3	-52.8	179.4	0	0	0	106.4	V2 L26 V51 R53	V2-I4 HydrophobicContact CG1-CG1 4.26Å; I4-L26 HydrophobicContact CB-CD2 4.08Å; I4-L26 HydrophobicContact CD1-CD1 4.01Å; I4-L26 HydrophobicContact CD1-CD2 3.55Å; I4-L26 HydrophobicContact CD1-CG 4.4Å; I4-L26 HydrophobicContact CG1-CD2 4.39Å; I4-L26 HydrophobicContact CG2-CD2 3.78Å; I4-V51 WeakPolarHBondContact CA-O 3.47Å; I4-V51 WeakPolarHBondContact CG1-O 3.21Å; I4-V51 WeakPolarHBondContact CG2-O 3.36Å; I4-R53 HydrophobicContact CG2-CB 4.46Å
5	G	41.7	Very low	37.7	Very low	7 Å²	7	87.5 Å²	87.5	7%	0.072	44%	0.444	C	S	.	.			trans	-121.8	179.4	174.7	0	0	0	0	0	111.5	W52	G5-W52 VanDerWaalsContact O-CE3 3.31Å
6	W	42.6	Very low	37.5	Very low	13 Å²	13	91.6 Å²	91.6	5%	0.049	46%	0.461	C	S	.	.			trans	-121.5	142.9	-179.2	-49.4	83.7	0	0	0	108.8	L21 R53 R55	W6-L21 HydrophobicContact CD2-CD1 4Å; W6-L21 HydrophobicContact CH2-CD1 3.95Å; W6-L21 HydrophobicContact CZ2-CB 4.23Å; W6-L21 HydrophobicContact CZ2-CD1 3.1Å; W6-L21 HydrophobicContact CZ2-CG 3.98Å; W6-R53 HydrophobicContact CH2-CB 4.23Å; W6-R53 HydrophobicContact CZ3-CB 4.36Å; W6-R53 WeakPolarHBondContact CZ3-O 3.46Å; W6-R55 HydrophobicContact CE3-CB 4.33Å; W6-R55 HydrophobicContact CE3-CG 4.24Å; W6-R55 HydrophobicContact CH2-CG 3.7Å; W6-R55 HydrophobicContact CZ3-CB 3.76Å; W6-R55 HydrophobicContact CZ3-CG 3.25Å
7	Q	38.8	Very low	37.3	Very low	67 Å²	67	86.9 Å²	86.9	31%	0.313	44%	0.439	S	S	.	.			trans	-109	147.2	177.8	-171.7	178.9	2.9	0	0	110.3	L54	Q7-L54 HydrophobicContact CB-CD2 4.48Å
8	T	38	Very low	37.6	Very low	12 Å²	12	83.4 Å²	83.4	7%	0.074	42%	0.423	C	S	.	.			trans	-110.5	147.1	169.9	83.2	0	0	0	0	108.9	A10 C11 C17 P62 S63	T8-A10 PolarHBondContact O-N 3.17Å; T8-A10 VanDerWaalsContact O-N 3.13Å; T8-C11 PolarHBondContact O-N 3.03Å; T8-C17 PolarHBondContact OG1-SG 3.07Å; T8-P62 VanDerWaalsContact CG2-C 3.48Å; T8-P62 HydrophobicContact CG2-CB 3.81Å; T8-S63 WeakPolarHBondContact CG2-O 3.43Å
9	K	40	Very low	37.7	Very low	216 Å²	216	80.7 Å²	80.7	94%	0.939	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.1	176.4	-106.9	-178.6	-180	174.1	0	113.6
10	A	35.8	Very low	37.8	Very low	87 Å²	87	78.9 Å²	78.9	72%	0.719	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-9.4	-172.3	0	0	0	0	0	113.8	T8	T8-A10 PolarHBondContact O-N 3.17Å; T8-A10 VanDerWaalsContact O-N 3.13Å
11	C	34.5	Very low	37.9	Very low	24 Å²	24	77 Å²	77	16%	0.162	40%	0.396	C	S	.	.			trans	-99	107.2	-179.4	-65.5	0	0	0	0	109.5	T8 V13 C17	T8-C11 PolarHBondContact O-N 3.03Å; C11-V13 PolarHBondContact O-N 3.28Å; C11-C17 HydrophobicContact CB-CB 4.47Å; C11-C17 WeakPolarHBondContact CB-SG 3.44Å; C11-C17 WeakPolarHBondContact SG-CB 3.27Å; C11-C17 CovalentContact SG-SG 2.03Å; C11-C17 PolarHBondContact SG-SG 3.12Å
12	E	38.7	Very low	38.3	Very low	202 Å²	202	72.2 Å²	72.2	94%	0.944	38%	0.377	S	S	*	.	S	Bend	trans	-59.9	-28.6	171.5	-75.8	-172.6	152.3	0	0	111.5
13	V	36.8	Very low	38.7	Very low	75 Å²	75	77.8 Å²	77.8	46%	0.455	39%	0.387	S	S	.	.	S	Bend	trans	-116.6	113.4	-179.5	-169.7	0	0	0	0	108	C11 Y15 E16	C11-V13 PolarHBondContact O-N 3.28Å; V13-Y15 HydrophobicContact CG1-CD2 3.9Å; V13-Y15 PolarHBondContact O-N 2.77Å; V13-E16 PolarHBondContact O-N 3.38Å; V13-E16 VanDerWaalsContact O-N 3.07Å
14	V	39.2	Very low	38.8	Very low	49 Å²	49	80.9 Å²	80.9	30%	0.297	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-47.6	-32.1	-176.3	-178.4	0	0	0	0	112.6	E16 C18 W52	V14-E16 PolarHBondContact O-N 2.78Å; V14-C18 PolarHBondContact O-SG 3.32Å; V14-W52 HydrophobicContact CG1-CH2 4.35Å; V14-W52 HydrophobicContact CG1-CZ2 4.14Å
15	Y	36.1	Very low	39.1	Very low	175 Å²	175	83.2 Å²	83.2	69%	0.686	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-71.6	-21.4	-175.2	-62.3	-76.9	0	0	0	115.3	V13 C17	V13-Y15 HydrophobicContact CG1-CD2 3.9Å; V13-Y15 PolarHBondContact O-N 2.77Å; Y15-C17 VanDerWaalsContact C-N 3.34Å; Y15-C17 PolarHBondContact O-N 3.34Å
16	E	34.2	Very low	39.4	Very low	153 Å²	153	85.1 Å²	85.1	72%	0.715	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-78.6	-14.4	-170.7	-81.2	-168.4	155.4	0	0	113.9	V13 V14	V13-E16 PolarHBondContact O-N 3.38Å; V13-E16 VanDerWaalsContact O-N 3.07Å; V14-E16 PolarHBondContact O-N 2.78Å
17	C	34.8	Very low	39.6	Very low	12 Å²	12	91.7 Å²	91.7	8%	0.081	46%	0.455	C	S	.	.	S	Bend	trans	-143.1	44.5	-171	71.1	0	0	0	0	124	T8 C11 Y15 S63 C65	T8-C17 PolarHBondContact OG1-SG 3.07Å; C11-C17 HydrophobicContact CB-CB 4.47Å; C11-C17 WeakPolarHBondContact CB-SG 3.44Å; C11-C17 WeakPolarHBondContact SG-CB 3.27Å; C11-C17 CovalentContact SG-SG 2.03Å; C11-C17 PolarHBondContact SG-SG 3.12Å; Y15-C17 VanDerWaalsContact C-N 3.34Å; Y15-C17 PolarHBondContact O-N 3.34Å; C17-S63 VanDerWaalsContact O-O 3.04Å; C17-C65 WeakPolarHBondContact CA-SG 3.49Å; C17-C65 HydrophobicContact CB-CB 4.41Å; C17-C65 WeakPolarHBondContact CB-SG 3.49Å; C17-C65 PolarHBondContact O-SG 2.74Å
18	C	41.6	Very low	40	Very low	23 Å²	23	91.1 Å²	91.1	16%	0.155	46%	0.456	C	S	.	.			trans	-117.2	114.2	-171.4	-57.9	0	0	0	0	119.7	V14 W52 R64 C65 M66	V14-C18 PolarHBondContact O-SG 3.32Å; C18-W52 HydrophobicContact CB-CH2 4.26Å; C18-W52 HydrophobicContact CB-CZ3 3.92Å; C18-W52 WeakPolarHBondContact SG-CZ3 3.28Å; C18-R64 CarbonylContact C-O 3.26Å; C18-C65 CarbonylContact O-C 3.22Å; C18-C65 VanDerWaalsContact O-C 3.26Å; C18-C65 WeakPolarHBondContact O-CA 3.44Å; C18-M66 PolarHBondContact O-N 3.01Å
19	T	39.1	Very low	40.2	Very low	33 Å²	33	94.6 Å²	94.6	20%	0.202	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-98.8	142.9	-171.4	-99.6	0	0	0	0	110.5	L21 R64 C65	T19-L21 PolarHBondContact O-N 2.93Å; T19-R64 WeakPolarHBondContact CA-O 3.46Å; T19-R64 WeakPolarHBondContact CB-O 3.36Å; T19-R64 HydrophobicContact CG2-CB 4.34Å; T19-R64 PolarHBondContact N-O 3.02Å; T19-R64 WeakPolarHBondContact OG1-CA 3.19Å; T19-R64 WeakPolarHBondContact OG1-CB 2.85Å; T19-R64 PolarHBondContact OG1-O 2.7Å; T19-R64 VanDerWaalsContact OG1-O 3.11Å; T19-C65 WeakPolarHBondContact OG1-CA 3.14Å; T19-C65 PolarHBondContact OG1-N 2.72Å
20	P	40.7	Very low	40.6	Very low	44 Å²	44	87.7 Å²	87.7	29%	0.286	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-71.6	121.7	172.8	30.3	-30.8	0	0	0	108.3	M66	P20-M66 VanDerWaalsContact CD-O 3.31Å; P20-M66 WeakPolarHBondContact CD-O 3.37Å; P20-M66 HydrophobicContact CG-CB 4.2Å; P20-M66 HydrophobicContact CG-CE 4.07Å
21	L	39	Very low	41	Very low	40 Å²	40	92.6 Å²	92.6	21%	0.209	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-83.1	140.6	165.8	-87.1	-171.8	0	0	0	110	W6 T19 Y25	W6-L21 HydrophobicContact CD2-CD1 4Å; W6-L21 HydrophobicContact CH2-CD1 3.95Å; W6-L21 HydrophobicContact CZ2-CB 4.23Å; W6-L21 HydrophobicContact CZ2-CD1 3.1Å; W6-L21 HydrophobicContact CZ2-CG 3.98Å; T19-L21 PolarHBondContact O-N 2.93Å; L21-Y25 HydrophobicContact CB-CD2 4.48Å; L21-Y25 HydrophobicContact CB-CG 4.44Å; L21-Y25 HydrophobicContact CD1-CD1 4.33Å; L21-Y25 HydrophobicContact CD1-CG 3.98Å; L21-Y25 HydrophobicContact CD2-CD1 4.47Å; L21-Y25 HydrophobicContact CD2-CD2 4.13Å; L21-Y25 HydrophobicContact CD2-CG 4.1Å; L21-Y25 HydrophobicContact CG-CG 4.42Å
22	P	40.3	Very low	41.5	Very low	65 Å²	65	92.6 Å²	92.6	42%	0.422	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-54.5	145.7	168.7	-23.4	32.4	0	0	0	110.8	E24 Y25	P22-E24 HydrophobicContact CB-CG 3.93Å; P22-E24 PolarHBondContact O-N 3.3Å; P22-Y25 HydrophobicContact CB-CD2 3.86Å; P22-Y25 HydrophobicContact CB-CE2 4.06Å; P22-Y25 HydrophobicContact CG-CD2 3.93Å; P22-Y25 HydrophobicContact CG-CE2 3.8Å; P22-Y25 WeakPolarHBondContact O-CB 3.42Å; P22-Y25 WeakPolarHBondContact O-CD2 3.39Å; P22-Y25 PolarHBondContact O-N 3Å
23	R	42.6	Very low	41.9	Very low	217 Å²	217	90 Å²	90	82%	0.819	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-53.3	-29.9	-175.6	-164	179.2	-177.2	163.2	0.2	113.2	Y25 L26	R23-Y25 PolarHBondContact O-N 3.06Å; R23-L26 HydrophobicContact CG-CD1 3.98Å; R23-L26 VanDerWaalsContact O-CB 3.29Å; R23-L26 WeakPolarHBondContact O-CB 3.14Å; R23-L26 PolarHBondContact O-N 2.92Å
24	E	40.9	Very low	42.6	Very low	140 Å²	140	90 Å²	90	65%	0.654	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-58.6	-26.3	175.5	68.7	-159.2	176.9	0	0	113.8	P22	P22-E24 HydrophobicContact CB-CG 3.93Å; P22-E24 PolarHBondContact O-N 3.3Å
25	Y	45.4	Very low	43	Very low	94 Å²	94	91.4 Å²	91.4	37%	0.369	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-83.9	-10.5	176.3	-66.1	-90.6	0	0	0	113.4	L21 P22 R23 D27	L21-Y25 HydrophobicContact CB-CD2 4.48Å; L21-Y25 HydrophobicContact CB-CG 4.44Å; L21-Y25 HydrophobicContact CD1-CD1 4.33Å; L21-Y25 HydrophobicContact CD1-CG 3.98Å; L21-Y25 HydrophobicContact CD2-CD1 4.47Å; L21-Y25 HydrophobicContact CD2-CD2 4.13Å; L21-Y25 HydrophobicContact CD2-CG 4.1Å; L21-Y25 HydrophobicContact CG-CG 4.42Å; P22-Y25 HydrophobicContact CB-CD2 3.86Å; P22-Y25 HydrophobicContact CB-CE2 4.06Å; P22-Y25 HydrophobicContact CG-CD2 3.93Å; P22-Y25 HydrophobicContact CG-CE2 3.8Å; P22-Y25 WeakPolarHBondContact O-CB 3.42Å; P22-Y25 WeakPolarHBondContact O-CD2 3.39Å; P22-Y25 PolarHBondContact O-N 3Å; R23-Y25 PolarHBondContact O-N 3.06Å; Y25-D27 VanDerWaalsContact C-N 3.3Å
26	L	47.8	Very low	43.8	Very low	46 Å²	46	88.3 Å²	88.3	24%	0.241	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-23.4	177.9	-61.8	177.3	0	0	0	112.5	I4 R23 V28 R53	I4-L26 HydrophobicContact CB-CD2 4.08Å; I4-L26 HydrophobicContact CD1-CD1 4.01Å; I4-L26 HydrophobicContact CD1-CD2 3.55Å; I4-L26 HydrophobicContact CD1-CG 4.4Å; I4-L26 HydrophobicContact CG1-CD2 4.39Å; I4-L26 HydrophobicContact CG2-CD2 3.78Å; R23-L26 HydrophobicContact CG-CD1 3.98Å; R23-L26 VanDerWaalsContact O-CB 3.29Å; R23-L26 WeakPolarHBondContact O-CB 3.14Å; R23-L26 PolarHBondContact O-N 2.92Å; L26-V28 VanDerWaalsContact C-N 3.35Å; L26-R53 PolarHBondContact O-NH1 2.03Å; L26-R53 VanDerWaalsContact O-NH1 3.16Å
27	D	48.2	Very low	44.5	Very low	152 Å²	152	83.1 Å²	83.1	81%	0.813	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	6.5	-173.6	-116.6	-7.6	0	0	0	113.4	Y25 G29	Y25-D27 VanDerWaalsContact C-N 3.3Å; D27-G29 PolarHBondContact O-N 3.46Å
28	V	45.5	Very low	45.1	Very low	54 Å²	54	88.8 Å²	88.8	33%	0.327	46%	0.462	S	S	.	.			trans	-76.9	100	174.2	-159.3	0	0	0	0	107.1	L26 E30	L26-V28 VanDerWaalsContact C-N 3.35Å; V28-E30 HydrophobicContact CG1-CG 4.33Å; V28-E30 PolarHBondContact O-N 3.13Å
29	G	43.2	Very low	45.4	Very low	86 Å²	86	90.6 Å²	90.6	89%	0.887	47%	0.466	S	S	*	.			trans	-62.7	26.3	-176.1	0	0	0	0	0	115.9	D27	D27-G29 PolarHBondContact O-N 3.46Å
30	E	48.2	Very low	45.8	Very low	70 Å²	70	95.5 Å²	95.5	33%	0.327	49%	0.487	S	S	.	.	S	Bend	trans	-70.8	138.6	166.6	-76	172.1	175.2	0	0	109.1	V28 T32 R55	V28-E30 HydrophobicContact CG1-CG 4.33Å; V28-E30 PolarHBondContact O-N 3.13Å; E30-T32 PolarHBondContact O-N 3.25Å; E30-R55 WeakPolarHBondContact OE2-CD 3.23Å; E30-R55 IonicContact OE2-CZ 3.97Å; E30-R55 IonicContact OE2-NE 3.04Å; E30-R55 IonicContact OE2-NH1 3.73Å; E30-R55 PolarHBondContact OE2-NH1 3.35Å
31	Q	44.1	Very low	46.1	Very low	190 Å²	190	95 Å²	95	89%	0.888	48%	0.481	S	S	*	.			trans	-60	86.4	176.8	-69.9	-176.1	-19.8	0	0	109.3
32	T	46	Very low	46.6	Very low	25 Å²	25	100.9 Å²	100.9	15%	0.153	51%	0.508	C	S	.	.			trans	-85.4	116.7	175.7	47	0	0	0	0	107.2	E30 T34 R53 L54 R55	E30-T32 PolarHBondContact O-N 3.25Å; T32-T34 PolarHBondContact O-N 3.43Å; T32-T34 PolarHBondContact O-OG1 3.41Å; T32-R53 HydrophobicContact CG2-CB 4.18Å; T32-R53 WeakPolarHBondContact OG1-CD 3.35Å; T32-R53 WeakPolarHBondContact OG1-CG 3.34Å; T32-L54 WeakPolarHBondContact CA-O 3.43Å; T32-L54 VanDerWaalsContact CB-O 3.29Å; T32-L54 WeakPolarHBondContact CB-O 3.14Å; T32-L54 VanDerWaalsContact CG2-O 3.28Å; T32-L54 WeakPolarHBondContact CG2-O 3.13Å; T32-R55 HydrophobicContact CG2-CG 3.76Å
33	E	46.4	Very low	47.1	Very low	148 Å²	148	106.1 Å²	106.1	69%	0.692	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.2	118.7	168.8	-76.7	-172.5	164.9	0	0	107	R53 L54	E33-R53 WeakPolarHBondContact O-CA 3.49Å; E33-L54 HydrophobicContact CB-CB 4.41Å; E33-L54 HydrophobicContact CB-CD1 4.33Å; E33-L54 PolarHBondContact O-N 2.89Å
34	T	50.7	Low	47.6	Very low	73 Å²	73	102.1 Å²	102.1	45%	0.448	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	114.3	-178.5	-60.7	0	0	0	0	107.5	T32 E36 V51 W52	T32-T34 PolarHBondContact O-N 3.43Å; T32-T34 PolarHBondContact O-OG1 3.41Å; T34-E36 HydrophobicContact CG2-CG 4.35Å; T34-V51 HydrophobicContact CG2-CG1 3.26Å; T34-W52 CarbonylContact C-O 3.45Å; T34-W52 WeakPolarHBondContact CA-O 3.31Å; T34-W52 WeakPolarHBondContact CG2-O 3.41Å
35	L	48.8	Very low	48.4	Very low	80 Å²	80	104.3 Å²	104.3	42%	0.419	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.1	171.1	-175.1	76.4	0	0	0	107	V37 W52	L35-V37 HydrophobicContact CD2-CG2 3.91Å; L35-V37 HydrophobicContact CG-CG2 4.1Å; L35-W52 HydrophobicContact CB-CB 4.02Å; L35-W52 HydrophobicContact CB-CG 4.39Å; L35-W52 PolarHBondContact N-O 3.26Å; L35-W52 WeakPolarHBondContact O-CA 3.18Å; L35-W52 WeakPolarHBondContact O-CB 2.91Å; L35-W52 PolarHBondContact O-N 3.42Å
36	E	51.4	Low	48.4	Very low	109 Å²	109	101.5 Å²	101.5	51%	0.509	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.8	173.3	-59.7	-168.6	140.3	0	0	107.9	T34 K49 I50 V51	T34-E36 HydrophobicContact CG2-CG 4.35Å; E36-K49 VanDerWaalsContact OE1-CE 3.26Å; E36-K49 WeakPolarHBondContact OE1-CE 3.1Å; E36-K49 IonicContact OE1-NZ 2.68Å; E36-K49 PolarHBondContact OE1-NZ 2.72Å; E36-K49 WeakPolarHBondContact OE2-CE 3.26Å; E36-K49 IonicContact OE2-NZ 2.72Å; E36-K49 PolarHBondContact OE2-NZ 3.5Å; E36-I50 WeakPolarHBondContact CA-O 3.05Å; E36-V51 HydrophobicContact CG-CG2 4.4Å
37	V	49	Very low	48.5	Very low	45 Å²	45	104.7 Å²	104.7	27%	0.273	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.1	175	-178.5	0	0	0	0	108.1	L35 I50 W52	L35-V37 HydrophobicContact CD2-CG2 3.91Å; L35-V37 HydrophobicContact CG-CG2 4.1Å; V37-I50 PolarHBondContact N-O 3.34Å; V37-I50 PolarHBondContact O-N 3.31Å; V37-W52 VanDerWaalsContact CB-NE1 3.34Å
38	E	49.1	Very low	48.4	Very low	130 Å²	130	98.3 Å²	98.3	61%	0.607	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	129.6	169.9	-67.4	-177.3	175.3	0	0	108	I47 K49	E38-I47 HydrophobicContact CB-CG2 3.73Å; E38-I47 HydrophobicContact CG-CG2 4.12Å; E38-K49 HydrophobicContact CG-CG 4.42Å
39	Y	47.8	Very low	48.4	Very low	61 Å²	61	99.3 Å²	99.3	24%	0.239	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.2	170.5	72.4	-79	0	0	0	109.9	N41 I47 D48 I50	Y39-N41 HydrophobicContact CE2-CB 4.33Å; Y39-N41 PolarHBondContact O-N 2.92Å; Y39-I47 WeakPolarHBondContact O-CA 3.1Å; Y39-D48 HydrophobicContact CD1-CB 4.06Å; Y39-D48 VanDerWaalsContact CD1-O 3.28Å; Y39-D48 WeakPolarHBondContact CD1-O 3.42Å; Y39-D48 HydrophobicContact CE1-CB 3.34Å; Y39-D48 HydrophobicContact CE2-CB 4.07Å; Y39-D48 PolarHBondContact N-O 2.8Å; Y39-D48 PolarHBondContact O-N 2.91Å; Y39-I50 HydrophobicContact CD1-CD1 3.93Å; Y39-I50 HydrophobicContact CD1-CG1 3.94Å; Y39-I50 HydrophobicContact CE1-CD1 3.4Å; Y39-I50 HydrophobicContact CE1-CG1 3.48Å; Y39-I50 VanDerWaalsContact CE1-CG1 3.48Å
40	E	46.4	Very low	48.7	Very low	137 Å²	137	96.3 Å²	96.3	64%	0.64	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	109.8	175	-170.2	177.1	-172.1	0	0	108.6	Q42	E40-Q42 PolarHBondContact O-N 2.68Å
41	N	46.7	Very low	48.5	Very low	32 Å²	32	94 Å²	94	17%	0.171	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	95.7	168.2	-177.3	-24.5	0	0	0	108	Y39 H43 E44 K45 S46 D48	Y39-N41 HydrophobicContact CE2-CB 4.33Å; Y39-N41 PolarHBondContact O-N 2.92Å; N41-H43 PolarHBondContact O-N 2.63Å; N41-H43 VanDerWaalsContact O-N 3.17Å; N41-H43 WeakPolarHBondContact OD1-CB 3.49Å; N41-H43 PolarHBondContact OD1-N 2.57Å; N41-H43 VanDerWaalsContact OD1-N 3.12Å; N41-E44 PolarHBondContact O-N 3.11Å; N41-E44 PolarHBondContact OD1-N 3.21Å; N41-E44 VanDerWaalsContact OD1-N 3.12Å; N41-K45 VanDerWaalsContact O-CA 3.27Å; N41-K45 WeakPolarHBondContact O-CA 3.44Å; N41-K45 PolarHBondContact O-N 2.68Å; N41-S46 WeakPolarHBondContact CB-O 3.07Å; N41-S46 PolarHBondContact N-O 2.92Å; N41-S46 PolarHBondContact O-N 2.73Å; N41-D48 WeakPolarHBondContact CB-OD2 3.26Å; N41-D48 PolarHBondContact ND2-OD2 3.04Å
42	Q	49.2	Very low	48.7	Very low	165 Å²	165	86 Å²	86	77%	0.771	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.7	-177.8	-64.6	-174.2	0.8	0	0	113.2	E40	E40-Q42 PolarHBondContact O-N 2.68Å
43	H	52.5	Low	48.7	Very low	174 Å²	174	89 Å²	89	81%	0.806	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-44.2	179.1	-169.7	66.2	0	0	0	111.3	N41	N41-H43 PolarHBondContact O-N 2.63Å; N41-H43 VanDerWaalsContact O-N 3.17Å; N41-H43 WeakPolarHBondContact OD1-CB 3.49Å; N41-H43 PolarHBondContact OD1-N 2.57Å; N41-H43 VanDerWaalsContact OD1-N 3.12Å
44	E	53.1	Low	48.7	Very low	133 Å²	133	85.1 Å²	85.1	62%	0.621	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-8.3	-178.4	-63.5	-169.8	165.9	0	0	113.5	N41 S46	N41-E44 PolarHBondContact O-N 3.11Å; N41-E44 PolarHBondContact OD1-N 3.21Å; N41-E44 VanDerWaalsContact OD1-N 3.12Å; E44-S46 WeakPolarHBondContact CB-OG 3.47Å; E44-S46 PolarHBondContact O-N 2.92Å
45	K	56.5	Low	48.4	Very low	186 Å²	186	83.8 Å²	83.8	81%	0.809	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	38.6	-169.4	-60.5	-177.6	177.6	-179.4	0	112.1	N41	N41-K45 VanDerWaalsContact O-CA 3.27Å; N41-K45 WeakPolarHBondContact O-CA 3.44Å; N41-K45 PolarHBondContact O-N 2.68Å
46	S	45.2	Very low	48.3	Very low	35 Å²	35	84.4 Å²	84.4	25%	0.245	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	151.9	177.4	56.5	0	0	0	0	109.4	N41 E44	N41-S46 WeakPolarHBondContact CB-O 3.07Å; N41-S46 PolarHBondContact N-O 2.92Å; N41-S46 PolarHBondContact O-N 2.73Å; E44-S46 WeakPolarHBondContact CB-OG 3.47Å; E44-S46 PolarHBondContact O-N 2.92Å
47	I	51.4	Low	47.9	Very low	113 Å²	113	84.3 Å²	84.3	58%	0.579	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	112.9	165.3	-62.2	174.9	0	0	0	106.2	E38 Y39	E38-I47 HydrophobicContact CB-CG2 3.73Å; E38-I47 HydrophobicContact CG-CG2 4.12Å; Y39-I47 WeakPolarHBondContact O-CA 3.1Å
48	D	45.8	Very low	47.7	Very low	18 Å²	18	86.3 Å²	86.3	10%	0.096	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.6	172.4	-81.9	-49.9	0	0	0	108.7	Y39 N41	Y39-D48 HydrophobicContact CD1-CB 4.06Å; Y39-D48 VanDerWaalsContact CD1-O 3.28Å; Y39-D48 WeakPolarHBondContact CD1-O 3.42Å; Y39-D48 HydrophobicContact CE1-CB 3.34Å; Y39-D48 HydrophobicContact CE2-CB 4.07Å; Y39-D48 PolarHBondContact N-O 2.8Å; Y39-D48 PolarHBondContact O-N 2.91Å; N41-D48 WeakPolarHBondContact CB-OD2 3.26Å; N41-D48 PolarHBondContact ND2-OD2 3.04Å
49	K	44	Very low	47.2	Very low	76 Å²	76	82.8 Å²	82.8	33%	0.33	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	116.6	179.2	-172.3	173.3	-179	175.3	0	109.7	E36 E38	E36-K49 VanDerWaalsContact OE1-CE 3.26Å; E36-K49 WeakPolarHBondContact OE1-CE 3.1Å; E36-K49 IonicContact OE1-NZ 2.68Å; E36-K49 PolarHBondContact OE1-NZ 2.72Å; E36-K49 WeakPolarHBondContact OE2-CE 3.26Å; E36-K49 IonicContact OE2-NZ 2.72Å; E36-K49 PolarHBondContact OE2-NZ 3.5Å; E38-K49 HydrophobicContact CG-CG 4.42Å
50	I	49.8	Very low	46.7	Very low	22 Å²	22	87.5 Å²	87.5	11%	0.113	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.9	172.5	-53.5	-168.1	0	0	0	108.1	Y3 E36 V37 Y39 W52	Y3-I50 HydrophobicContact CD2-CG1 4.25Å; Y3-I50 WeakPolarHBondContact O-CG2 3.41Å; E36-I50 WeakPolarHBondContact CA-O 3.05Å; V37-I50 PolarHBondContact N-O 3.34Å; V37-I50 PolarHBondContact O-N 3.31Å; Y39-I50 HydrophobicContact CD1-CD1 3.93Å; Y39-I50 HydrophobicContact CD1-CG1 3.94Å; Y39-I50 HydrophobicContact CE1-CD1 3.4Å; Y39-I50 HydrophobicContact CE1-CG1 3.48Å; Y39-I50 VanDerWaalsContact CE1-CG1 3.48Å; I50-W52 HydrophobicContact CB-CZ2 4.09Å; I50-W52 HydrophobicContact CD1-CH2 4.48Å; I50-W52 HydrophobicContact CD1-CZ2 4.05Å; I50-W52 HydrophobicContact CG2-CD2 3.78Å; I50-W52 HydrophobicContact CG2-CE3 4.29Å; I50-W52 HydrophobicContact CG2-CG 4.3Å; I50-W52 HydrophobicContact CG2-CH2 4Å; I50-W52 HydrophobicContact CG2-CZ2 3.48Å; I50-W52 VanDerWaalsContact CG2-CZ2 3.48Å; I50-W52 HydrophobicContact CG2-CZ3 4.38Å
51	V	45.6	Very low	46	Very low	21 Å²	21	85 Å²	85	13%	0.127	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	99.7	177.7	179.8	0	0	0	0	106.6	V2 Y3 I4 T34 E36	V2-V51 HydrophobicContact CG1-CB 3.67Å; V2-V51 HydrophobicContact CG1-CG2 3.6Å; Y3-V51 PolarHBondContact O-N 2.9Å; I4-V51 WeakPolarHBondContact CA-O 3.47Å; I4-V51 WeakPolarHBondContact CG1-O 3.21Å; I4-V51 WeakPolarHBondContact CG2-O 3.36Å; T34-V51 HydrophobicContact CG2-CG1 3.26Å; E36-V51 HydrophobicContact CG-CG2 4.4Å
52	W	47.8	Very low	45.4	Very low	24 Å²	24	87.6 Å²	87.6	9%	0.091	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	147.7	176.6	-46.8	90.5	0	0	0	109.8	G5 V14 C18 T34 L35 V37 I50	G5-W52 VanDerWaalsContact O-CE3 3.31Å; V14-W52 HydrophobicContact CG1-CH2 4.35Å; V14-W52 HydrophobicContact CG1-CZ2 4.14Å; C18-W52 HydrophobicContact CB-CH2 4.26Å; C18-W52 HydrophobicContact CB-CZ3 3.92Å; C18-W52 WeakPolarHBondContact SG-CZ3 3.28Å; T34-W52 CarbonylContact C-O 3.45Å; T34-W52 WeakPolarHBondContact CA-O 3.31Å; T34-W52 WeakPolarHBondContact CG2-O 3.41Å; L35-W52 HydrophobicContact CB-CB 4.02Å; L35-W52 HydrophobicContact CB-CG 4.39Å; L35-W52 PolarHBondContact N-O 3.26Å; L35-W52 WeakPolarHBondContact O-CA 3.18Å; L35-W52 WeakPolarHBondContact O-CB 2.91Å; L35-W52 PolarHBondContact O-N 3.42Å; V37-W52 VanDerWaalsContact CB-NE1 3.34Å; I50-W52 HydrophobicContact CB-CZ2 4.09Å; I50-W52 HydrophobicContact CD1-CH2 4.48Å; I50-W52 HydrophobicContact CD1-CZ2 4.05Å; I50-W52 HydrophobicContact CG2-CD2 3.78Å; I50-W52 HydrophobicContact CG2-CE3 4.29Å; I50-W52 HydrophobicContact CG2-CG 4.3Å; I50-W52 HydrophobicContact CG2-CH2 4Å; I50-W52 HydrophobicContact CG2-CZ2 3.48Å; I50-W52 VanDerWaalsContact CG2-CZ2 3.48Å; I50-W52 HydrophobicContact CG2-CZ3 4.38Å
53	R	46	Very low	44.6	Very low	87 Å²	87	80.5 Å²	80.5	33%	0.328	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.1	171.1	-80.3	-178.6	-179.4	-174	2.6	107.3	I4 W6 L26 T32 E33	I4-R53 HydrophobicContact CG2-CB 4.46Å; W6-R53 HydrophobicContact CH2-CB 4.23Å; W6-R53 HydrophobicContact CZ3-CB 4.36Å; W6-R53 WeakPolarHBondContact CZ3-O 3.46Å; L26-R53 PolarHBondContact O-NH1 2.03Å; L26-R53 VanDerWaalsContact O-NH1 3.16Å; T32-R53 HydrophobicContact CG2-CB 4.18Å; T32-R53 WeakPolarHBondContact OG1-CD 3.35Å; T32-R53 WeakPolarHBondContact OG1-CG 3.34Å; E33-R53 WeakPolarHBondContact O-CA 3.49Å
54	L	45.8	Very low	43.5	Very low	66 Å²	66	81.8 Å²	81.8	35%	0.346	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.5	175.8	-70.2	168.5	0	0	0	109.5	Q7 T32 E33	Q7-L54 HydrophobicContact CB-CD2 4.48Å; T32-L54 WeakPolarHBondContact CA-O 3.43Å; T32-L54 VanDerWaalsContact CB-O 3.29Å; T32-L54 WeakPolarHBondContact CB-O 3.14Å; T32-L54 VanDerWaalsContact CG2-O 3.28Å; T32-L54 WeakPolarHBondContact CG2-O 3.13Å; E33-L54 HydrophobicContact CB-CB 4.41Å; E33-L54 HydrophobicContact CB-CD1 4.33Å; E33-L54 PolarHBondContact O-N 2.89Å
55	R	44.3	Very low	42.5	Very low	45 Å²	45	78.6 Å²	78.6	17%	0.17	41%	0.41	C	S	.	.			trans	-92.9	131	170.8	-80.7	-109.6	-105.1	169.3	-0.9	109.6	W6 E30 T32 D57 F58	W6-R55 HydrophobicContact CE3-CB 4.33Å; W6-R55 HydrophobicContact CE3-CG 4.24Å; W6-R55 HydrophobicContact CH2-CG 3.7Å; W6-R55 HydrophobicContact CZ3-CB 3.76Å; W6-R55 HydrophobicContact CZ3-CG 3.25Å; E30-R55 WeakPolarHBondContact OE2-CD 3.23Å; E30-R55 IonicContact OE2-CZ 3.97Å; E30-R55 IonicContact OE2-NE 3.04Å; E30-R55 IonicContact OE2-NH1 3.73Å; E30-R55 PolarHBondContact OE2-NH1 3.35Å; T32-R55 HydrophobicContact CG2-CG 3.76Å; R55-D57 PolarHBondContact O-N 3.02Å; R55-F58 HydrophobicContact CB-CD2 4.15Å
56	P	46.1	Very low	41.2	Very low	93 Å²	93	75.8 Å²	75.8	60%	0.604	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-28	174.8	26.3	-32.1	0	0	0	112.4	F58	P56-F58 PolarHBondContact O-N 2.85Å
57	D	45	Very low	40.3	Very low	108 Å²	108	85.2 Å²	85.2	58%	0.578	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.8	-169.2	-80.4	-3.2	0	0	0	115.8	R55 G59	R55-D57 PolarHBondContact O-N 3.02Å; D57-G59 PolarHBondContact O-N 3.37Å
58	F	43.2	Very low	39.3	Very low	87 Å²	87	88.7 Å²	88.7	38%	0.382	45%	0.45	S	S	.	.	S	Bend	trans	-77.3	74.7	167.5	-79.6	-85.6	0	0	0	108.1	R55 P56 D60 V61	R55-F58 HydrophobicContact CB-CD2 4.15Å; P56-F58 PolarHBondContact O-N 2.85Å; F58-D60 PolarHBondContact O-N 2.89Å; F58-V61 HydrophobicContact CD1-CB 4.27Å
59	G	38.9	Very low	38.9	Very low	55 Å²	55	92.3 Å²	92.3	57%	0.567	47%	0.468	S	S	*	.			trans	-56.6	101.9	178.5	0	0	0	0	0	110.4	D57 V61	D57-G59 PolarHBondContact O-N 3.37Å; G59-V61 WeakPolarHBondContact O-CG2 3.28Å; G59-V61 PolarHBondContact O-N 3.24Å
60	D	38.4	Very low	38.7	Very low	160 Å²	160	93.1 Å²	93.1	86%	0.856	48%	0.475	S	S	*	.	S	Bend	trans	46.7	9.7	-178.3	-72.3	-33.4	0	0	0	116.7	F58 P62	F58-D60 PolarHBondContact O-N 2.89Å; D60-P62 VanDerWaalsContact O-CD 3.23Å; D60-P62 WeakPolarHBondContact O-CD 3.29Å
61	V	31.3	Very low	38	Very low	84 Å²	84	97.1 Å²	97.1	51%	0.509	50%	0.495	S	S	.	.			trans	-78.5	120.3	-177.6	-162.7	0	0	0	0	107.1	F58 G59 S63	F58-V61 HydrophobicContact CD1-CB 4.27Å; G59-V61 WeakPolarHBondContact O-CG2 3.28Å; G59-V61 PolarHBondContact O-N 3.24Å; V61-S63 VanDerWaalsContact C-N 3.33Å; V61-S63 PolarHBondContact O-N 3Å
62	P	33	Very low	37.6	Very low	87 Å²	87	101.5 Å²	101.5	57%	0.565	52%	0.516	S	S	*	.			trans	-68.5	95.6	178.6	-16.4	31.2	0	0	0	109.1	T8 D60 R64	T8-P62 VanDerWaalsContact CG2-C 3.48Å; T8-P62 HydrophobicContact CG2-CB 3.81Å; D60-P62 VanDerWaalsContact O-CD 3.23Å; D60-P62 WeakPolarHBondContact O-CD 3.29Å; P62-R64 PolarHBondContact O-N 3.16Å
63	S	32.2	Very low	37	Very low	17 Å²	17	106.4 Å²	106.4	12%	0.119	54%	0.543	C	S	.	.			trans	-43.5	125.2	171.2	-47.7	0	0	0	0	109.9	T8 C17 V61	T8-S63 WeakPolarHBondContact CG2-O 3.43Å; C17-S63 VanDerWaalsContact O-O 3.04Å; V61-S63 VanDerWaalsContact C-N 3.33Å; V61-S63 PolarHBondContact O-N 3Å
64	R	30.1	Very low	36.4	Very low	201 Å²	201	107.7 Å²	107.7	76%	0.758	56%	0.557	S	S	*	*			trans	-64.9	-179.1	-173	-68.8	178.7	173.9	179.9	-2.5	111.4	C18 T19 P62	C18-R64 CarbonylContact C-O 3.26Å; T19-R64 WeakPolarHBondContact CA-O 3.46Å; T19-R64 WeakPolarHBondContact CB-O 3.36Å; T19-R64 HydrophobicContact CG2-CB 4.34Å; T19-R64 PolarHBondContact N-O 3.02Å; T19-R64 WeakPolarHBondContact OG1-CA 3.19Å; T19-R64 WeakPolarHBondContact OG1-CB 2.85Å; T19-R64 PolarHBondContact OG1-O 2.7Å; T19-R64 VanDerWaalsContact OG1-O 3.11Å; P62-R64 PolarHBondContact O-N 3.16Å
65	C	31.2	Very low	35.7	Very low	66 Å²	66	110.6 Å²	110.6	45%	0.446	57%	0.573	S	S	.	*			trans	-137.5	118.3	-164.5	-24.8	0	0	0	0	115.1	C17 C18 T19	C17-C65 WeakPolarHBondContact CA-SG 3.49Å; C17-C65 HydrophobicContact CB-CB 4.41Å; C17-C65 WeakPolarHBondContact CB-SG 3.49Å; C17-C65 PolarHBondContact O-SG 2.74Å; C18-C65 CarbonylContact O-C 3.22Å; C18-C65 VanDerWaalsContact O-C 3.26Å; C18-C65 WeakPolarHBondContact O-CA 3.44Å; T19-C65 WeakPolarHBondContact OG1-CA 3.14Å; T19-C65 PolarHBondContact OG1-N 2.72Å
66	M	29.6	Very low	35	Very low	126 Å²	126	115.7 Å²	115.7	62%	0.621	60%	0.603	S	S	*	*			trans	-165.1	155.4	170.1	-161.7	164.5	52.2	0	0	115.5	C18 P20	C18-M66 PolarHBondContact O-N 3.01Å; P20-M66 VanDerWaalsContact CD-O 3.31Å; P20-M66 WeakPolarHBondContact CD-O 3.37Å; P20-M66 HydrophobicContact CG-CB 4.2Å; P20-M66 HydrophobicContact CG-CE 4.07Å
67	W	27.6	Very low	34.1	Very low	233 Å²	233	117.6 Å²	117.6	88%	0.883	60%	0.603	S	S	*	*			trans	-92.4	155	-175.7	-72.9	62	0	0	0	113.7
68	I	28.8	Very low	33.1	Very low	187 Å²	187	118.5 Å²	118.5	96%	0.959	61%	0.606	S	S	*	*			trans	-134.7	0	146.3	-50.9	179.7	0	0	0	108.3	Y3	Y3-I68 WeakPolarHBondContact CE1-O 3.29Å

Retrieved 68 of 68 residues in 35 ms (Link to these results)

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