A0A5K4F8D6_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F8D6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 71 aa.

						>A0A5K4F8D6_SCHMA|A0A5K4F8D6
MNISTNLSRSWNLPTSGSLYVSRHDSLNVIIKSVQPHISCIIFLYEKRFNEYFTQSVYDVPHQNHMKLIME
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.6	Low	45.3	Very low	94 Å²	94	109.2 Å²	109.2	46%	0.463	58%	0.583	S	S	.	*				0	132.1	0	-175.7	169.8	-75.7	0	0	107.9	L13 V34	M1-L13 PolarHBondContact N-O 2.77Å; M1-L13 PolarHBondContact O-N 3.46Å; M1-V34 HydrophobicContact SD-CB 3.9Å; M1-V34 HydrophobicContact SD-CG2 3.9Å; M1-V34 PolarHBondContact SD-N 3.29Å; M1-V34 VanDerWaalsContact SD-N 3.41Å
2	N	43.9	Very low	45.9	Very low	109 Å²	109	111.3 Å²	111.3	58%	0.583	59%	0.594	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105	122.3	-176.4	-148.9	-11.9	0	0	0	108.7	N12	N2-N12 PolarHBondContact OD1-OD1 2.97Å
3	I	42.5	Very low	46.8	Very low	10 Å²	10	104.8 Å²	104.8	5%	0.051	56%	0.559	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.8	115.5	174.4	-55.8	179.6	0	0	0	108.2	T5 W11 L13 V34 P36 I41	I3-T5 HydrophobicContact CG2-CG2 4.39Å; I3-W11 PolarHBondContact N-O 2.64Å; I3-W11 VanDerWaalsContact N-O 3.14Å; I3-W11 PolarHBondContact O-N 3.04Å; I3-L13 HydrophobicContact CD1-CD1 3.22Å; I3-L13 HydrophobicContact CG1-CD1 3.85Å; I3-V34 HydrophobicContact CD1-CB 3.49Å; I3-V34 VanDerWaalsContact CD1-CB 3.49Å; I3-V34 HydrophobicContact CD1-CG1 3.17Å; I3-V34 HydrophobicContact CG1-CB 4.47Å; I3-P36 HydrophobicContact CG2-CB 4.24Å; I3-P36 HydrophobicContact CG2-CG 4.08Å; I3-I41 HydrophobicContact CD1-CG2 4.38Å
4	S	39.2	Very low	47.5	Very low	101 Å²	101	100.1 Å²	100.1	71%	0.706	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	112.9	166.1	52	0	0	0	0	108.9
5	T	40.9	Very low	48	Very low	35 Å²	35	99.6 Å²	99.6	22%	0.215	54%	0.54	C	S	.	.			trans	-81.4	157.4	165.8	55.9	0	0	0	0	109.8	I3 L7 R9	I3-T5 HydrophobicContact CG2-CG2 4.39Å; T5-L7 CarbonylContact C-O 3.43Å; T5-L7 CarbonylContact O-C 3.6Å; T5-L7 PolarHBondContact O-N 2.86Å; T5-L7 VanDerWaalsContact O-N 3.07Å; T5-L7 PolarHBondContact OG1-O 3.07Å; T5-R9 PolarHBondContact OG1-O 3.36Å
6	N	44.6	Very low	48.6	Very low	179 Å²	179	97.9 Å²	97.9	96%	0.957	54%	0.538	S	S	*	.	S	Bend	trans	-67	-4.6	175.2	-149.7	-2.5	0	0	0	112.9
7	L	45.4	Very low	49	Very low	128 Å²	128	93.4 Å²	93.4	67%	0.67	52%	0.519	S	S	*	.	S	Bend	trans	-94.1	131.9	162.4	-62.2	165.5	0	0	0	107	T5 R9	T5-L7 CarbonylContact C-O 3.43Å; T5-L7 CarbonylContact O-C 3.6Å; T5-L7 PolarHBondContact O-N 2.86Å; T5-L7 VanDerWaalsContact O-N 3.07Å; T5-L7 PolarHBondContact OG1-O 3.07Å; L7-R9 PolarHBondContact O-N 3.39Å
8	S	43.1	Very low	49.3	Very low	134 Å²	134	89.4 Å²	89.4	94%	0.937	50%	0.498	S	S	*	.	S	Bend	trans	-57.4	35.5	-167.8	-33.3	0	0	0	0	117.7
9	R	46.5	Very low	49.8	Very low	184 Å²	184	85.6 Å²	85.6	69%	0.694	48%	0.477	S	S	*	.			trans	-122.8	115.9	178.8	-68	-176.8	-176.3	-179.2	1.7	108.3	T5 L7	T5-R9 PolarHBondContact OG1-O 3.36Å; L7-R9 PolarHBondContact O-N 3.39Å
10	S	46	Very low	50	Low	86 Å²	86	86.1 Å²	86.1	60%	0.601	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	134.7	162.2	45.7	0	0	0	0	108.8
11	W	54.4	Low	50.2	Low	141 Å²	141	84.6 Å²	84.6	53%	0.534	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116.1	172	-63.7	70.7	0	0	0	107.9	I3 L13	I3-W11 PolarHBondContact N-O 2.64Å; I3-W11 VanDerWaalsContact N-O 3.14Å; I3-W11 PolarHBondContact O-N 3.04Å; W11-L13 PolarHBondContact O-N 3.28Å
12	N	52.5	Low	49.9	Very low	134 Å²	134	83.1 Å²	83.1	72%	0.717	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	101.2	167	-77.7	-28.5	0	0	0	107.7	N2	N2-N12 PolarHBondContact OD1-OD1 2.97Å
13	L	57.9	Low	50.2	Low	27 Å²	27	89.2 Å²	89.2	14%	0.141	48%	0.479	C	S	.	.			trans	-92.1	131.3	175.8	-75.2	156.9	0	0	0	109.7	M1 I3 W11 V34 F43	M1-L13 PolarHBondContact N-O 2.77Å; M1-L13 PolarHBondContact O-N 3.46Å; I3-L13 HydrophobicContact CD1-CD1 3.22Å; I3-L13 HydrophobicContact CG1-CD1 3.85Å; W11-L13 PolarHBondContact O-N 3.28Å; L13-V34 HydrophobicContact CD1-CB 4.35Å; L13-V34 HydrophobicContact CD1-CG1 3.98Å; L13-V34 HydrophobicContact CD1-CG2 4.31Å; L13-F43 HydrophobicContact CD1-CE1 4.32Å; L13-F43 HydrophobicContact CD2-CE1 4.12Å; L13-F43 HydrophobicContact CD2-CZ 4.44Å
14	P	56.6	Low	50.4	Low	40 Å²	40	96.9 Å²	96.9	26%	0.26	51%	0.514	S	S	.	.			trans	-64.9	147.2	174.3	30.4	-34.9	0	0	0	109.6	S16 L68	P14-S16 WeakPolarHBondContact CB-O 3.49Å; P14-S16 PolarHBondContact O-N 3.05Å; P14-L68 HydrophobicContact CG-CD2 3.4Å
15	T	55.4	Low	51.1	Low	92 Å²	92	97 Å²	97	56%	0.564	51%	0.507	S	S	*	.	S	Bend	trans	-78	-6.9	178.9	47.6	0	0	0	0	112.9
16	S	56.6	Low	51.9	Low	73 Å²	73	99 Å²	99	51%	0.51	52%	0.522	S	S	.	.	S	Bend	trans	-152.3	147.7	176.9	52.7	0	0	0	0	109	P14	P14-S16 WeakPolarHBondContact CB-O 3.49Å; P14-S16 PolarHBondContact O-N 3.05Å
17	G	56.5	Low	52.7	Low	21 Å²	21	91.4 Å²	91.4	22%	0.216	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.2	169.9	177	0	0	0	0	0	111.5	V29	G17-V29 VanDerWaalsContact O-CG2 3.28Å; G17-V29 WeakPolarHBondContact O-CG2 3.35Å
18	S	54.7	Low	53.5	Low	21 Å²	21	90.3 Å²	90.3	15%	0.147	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	125.8	177.2	-62.1	0	0	0	0	110.1	L68	S18-L68 WeakPolarHBondContact O-CD1 3.49Å
19	L	57.7	Low	54.5	Low	17 Å²	17	84.3 Å²	84.3	9%	0.089	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.5	172.3	-174.7	74.2	0	0	0	108.6	V21 L27 V29 Y45 M66	L19-V21 HydrophobicContact CD2-CG2 3.88Å; L19-V21 HydrophobicContact CG-CG2 4.06Å; L19-V21 PolarHBondContact O-N 3.34Å; L19-L27 PolarHBondContact N-O 2.91Å; L19-L27 VanDerWaalsContact N-O 3.09Å; L19-L27 PolarHBondContact O-N 3.25Å; L19-L27 VanDerWaalsContact O-N 3.09Å; L19-V29 HydrophobicContact CB-CB 4.48Å; L19-V29 HydrophobicContact CB-CG1 4.11Å; L19-V29 HydrophobicContact CB-CG2 3.51Å; L19-Y45 HydrophobicContact CD2-CD1 3.87Å; L19-Y45 HydrophobicContact CD2-CE1 3.26Å; L19-Y45 HydrophobicContact CD2-CE2 4.4Å; L19-M66 HydrophobicContact CD1-SD 3.9Å
20	Y	54.7	Low	55.5	Low	95 Å²	95	77.5 Å²	77.5	37%	0.373	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	106.2	175.5	-65.4	-93.4	0	0	0	108.5	I69	Y20-I69 HydrophobicContact CD2-CG1 4.46Å; Y20-I69 HydrophobicContact CE2-CB 3.68Å; Y20-I69 HydrophobicContact CE2-CD1 4.01Å; Y20-I69 HydrophobicContact CE2-CG1 3.9Å
21	V	53.2	Low	56.6	Low	55 Å²	55	74.2 Å²	74.2	33%	0.333	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-11.2	-177.2	177.5	0	0	0	0	111.7	L19 L27 Y58	L19-V21 HydrophobicContact CD2-CG2 3.88Å; L19-V21 HydrophobicContact CG-CG2 4.06Å; L19-V21 PolarHBondContact O-N 3.34Å; V21-L27 HydrophobicContact CB-CD1 3.95Å; V21-L27 HydrophobicContact CG2-CD1 3.67Å; V21-Y58 HydrophobicContact CG1-CE1 4.17Å; V21-Y58 WeakPolarHBondContact CG1-OH 3.45Å
22	S	45.7	Very low	57.3	Low	63 Å²	63	72 Å²	72	44%	0.441	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	172.5	172.2	73	0	0	0	0	109.9	H24	S22-H24 PolarHBondContact O-N 3.03Å
23	R	49.3	Very low	57.9	Low	238 Å²	238	67.1 Å²	67.1	90%	0.898	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-10.1	-177.7	-77.7	-174.1	-178.4	178.4	1.3	115.2
24	H	47.5	Very low	58.2	Low	170 Å²	170	66.5 Å²	66.5	79%	0.787	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.8	-2.1	-170.5	-63.7	-66.3	0	0	0	115.5	S22	S22-H24 PolarHBondContact O-N 3.03Å
25	D	54	Low	58.6	Low	104 Å²	104	70.1 Å²	70.1	56%	0.556	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	115.9	178.7	-73.1	-37.7	0	0	0	111.6
26	S	58.5	Low	58.9	Low	76 Å²	76	69.4 Å²	69.4	53%	0.531	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	120.6	163.9	56.3	0	0	0	0	109.1
27	L	60.4	Low	59.3	Low	20 Å²	20	70.9 Å²	70.9	11%	0.105	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.1	173.3	-75.5	160	0	0	0	109.1	L19 V21 V29 K47 F49	L19-L27 PolarHBondContact N-O 2.91Å; L19-L27 VanDerWaalsContact N-O 3.09Å; L19-L27 PolarHBondContact O-N 3.25Å; L19-L27 VanDerWaalsContact O-N 3.09Å; V21-L27 HydrophobicContact CB-CD1 3.95Å; V21-L27 HydrophobicContact CG2-CD1 3.67Å; L27-V29 HydrophobicContact CB-CG1 4.05Å; L27-V29 PolarHBondContact O-N 2.77Å; L27-K47 HydrophobicContact CD1-CD 4.41Å; L27-K47 HydrophobicContact CD2-CD 3.77Å; L27-K47 HydrophobicContact CD2-CG 4.06Å; L27-F49 HydrophobicContact CD2-CD2 3.92Å; L27-F49 HydrophobicContact CD2-CE2 3.85Å
28	N	62.4	Low	59.5	Low	105 Å²	105	77.5 Å²	77.5	56%	0.561	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	111.8	168.5	-75.6	-26.8	0	0	0	108.2	R48	N28-R48 PolarHBondContact O-N 3.36Å
29	V	64.9	Low	60.1	Low	8 Å²	8	79.6 Å²	79.6	5%	0.048	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.9	-178.7	-56.1	0	0	0	0	111.1	G17 L19 L27 Y45 E46	G17-V29 VanDerWaalsContact O-CG2 3.28Å; G17-V29 WeakPolarHBondContact O-CG2 3.35Å; L19-V29 HydrophobicContact CB-CB 4.48Å; L19-V29 HydrophobicContact CB-CG1 4.11Å; L19-V29 HydrophobicContact CB-CG2 3.51Å; L27-V29 HydrophobicContact CB-CG1 4.05Å; L27-V29 PolarHBondContact O-N 2.77Å; V29-Y45 HydrophobicContact CB-CD2 3.52Å; V29-Y45 HydrophobicContact CB-CE2 4.19Å; V29-Y45 HydrophobicContact CB-CG 3.91Å; V29-Y45 HydrophobicContact CG1-CD2 3.34Å; V29-Y45 HydrophobicContact CG1-CE2 3.47Å; V29-Y45 VanDerWaalsContact CG1-CE2 3.47Å; V29-Y45 HydrophobicContact CG1-CG 4.1Å; V29-Y45 HydrophobicContact CG2-CD2 4.28Å; V29-Y45 HydrophobicContact CG2-CG 4.23Å; V29-E46 CarbonylContact C-O 3.56Å; V29-E46 VanDerWaalsContact CA-O 3.28Å; V29-E46 WeakPolarHBondContact CA-O 3.1Å
30	I	65.7	Low	60	Low	42 Å²	42	78.8 Å²	78.8	22%	0.215	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.9	169.1	-61.5	175.1	0	0	0	107.3	K32 Y45 E46	I30-K32 HydrophobicContact CG2-CD 4.44Å; I30-K32 PolarHBondContact O-N 3.25Å; I30-Y45 CarbonylContact O-C 3.57Å; I30-Y45 WeakPolarHBondContact O-CA 3.12Å; I30-Y45 WeakPolarHBondContact O-CB 2.83Å; I30-E46 HydrophobicContact CB-CB 4.31Å; I30-E46 PolarHBondContact N-O 3.09Å; I30-E46 PolarHBondContact O-N 2.99Å
31	I	69.1	Low	60.5	Low	16 Å²	16	76 Å²	76	8%	0.082	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	115.6	177.7	-57.8	174.5	0	0	0	108.1	V34 F43 L44	I31-V34 HydrophobicContact CG2-CG2 3.41Å; I31-V34 VanDerWaalsContact CG2-CG2 3.41Å; I31-F43 HydrophobicContact CD1-CD1 4.32Å; I31-F43 HydrophobicContact CG2-CD1 4.3Å; I31-L44 CarbonylContact C-O 3.48Å
32	K	69.3	Low	61.1	Low	94 Å²	94	75.5 Å²	75.5	41%	0.409	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-44.7	-179.4	-67.2	-64.6	-176.8	164.9	0	112.3	I30 L44 E46	I30-K32 HydrophobicContact CG2-CD 4.44Å; I30-K32 PolarHBondContact O-N 3.25Å; K32-L44 HydrophobicContact CB-CD2 4.07Å; K32-L44 HydrophobicContact CB-CG 4.21Å; K32-L44 PolarHBondContact N-O 3.47Å; K32-E46 WeakPolarHBondContact CE-OE1 3.46Å; K32-E46 WeakPolarHBondContact CE-OE2 3.3Å; K32-E46 HydrophobicContact CG-CG 4.38Å; K32-E46 IonicContact NZ-OE1 3.06Å; K32-E46 PolarHBondContact NZ-OE1 2.93Å; K32-E46 IonicContact NZ-OE2 2.74Å; K32-E46 PolarHBondContact NZ-OE2 2.78Å
33	S	65.2	Low	62.1	Low	33 Å²	33	73.4 Å²	73.4	23%	0.231	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153.8	177.8	71.9	0	0	0	0	110.2	L44	S33-L44 PolarHBondContact N-O 3.41Å; S33-L44 PolarHBondContact O-N 3.14Å; S33-L44 WeakPolarHBondContact OG-CB 3.28Å
34	V	65.7	Low	62.9	Low	13 Å²	13	64.2 Å²	64.2	8%	0.079	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	126.8	172.2	-166.5	0	0	0	0	107.4	M1 I3 L13 I31 I41 I42 F43	M1-V34 HydrophobicContact SD-CB 3.9Å; M1-V34 HydrophobicContact SD-CG2 3.9Å; M1-V34 PolarHBondContact SD-N 3.29Å; M1-V34 VanDerWaalsContact SD-N 3.41Å; I3-V34 HydrophobicContact CD1-CB 3.49Å; I3-V34 VanDerWaalsContact CD1-CB 3.49Å; I3-V34 HydrophobicContact CD1-CG1 3.17Å; I3-V34 HydrophobicContact CG1-CB 4.47Å; L13-V34 HydrophobicContact CD1-CB 4.35Å; L13-V34 HydrophobicContact CD1-CG1 3.98Å; L13-V34 HydrophobicContact CD1-CG2 4.31Å; I31-V34 HydrophobicContact CG2-CG2 3.41Å; I31-V34 VanDerWaalsContact CG2-CG2 3.41Å; V34-I41 HydrophobicContact CG1-CG2 3.21Å; V34-I42 CarbonylContact C-O 3.42Å; V34-I42 VanDerWaalsContact CA-O 3.3Å; V34-I42 WeakPolarHBondContact CA-O 3.17Å; V34-F43 HydrophobicContact CB-CD1 4.36Å; V34-F43 HydrophobicContact CB-CE1 4.46Å; V34-F43 HydrophobicContact CG1-CD1 3.77Å; V34-F43 HydrophobicContact CG1-CE1 3.63Å; V34-F43 HydrophobicContact CG1-CE2 4.46Å; V34-F43 HydrophobicContact CG1-CG 4.26Å; V34-F43 HydrophobicContact CG1-CZ 4.01Å; V34-F43 HydrophobicContact CG2-CD1 3.65Å; V34-F43 HydrophobicContact CG2-CE1 3.89Å
35	Q	63.7	Low	63.8	Low	117 Å²	117	56.3 Å²	56.3	55%	0.547	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.1	-177	-68.1	-177.4	-9.7	0	0	109.3	I42	Q35-I42 PolarHBondContact N-O 3.09Å; Q35-I42 PolarHBondContact O-N 3.42Å
36	P	62.8	Low	64.2	Low	76 Å²	76	53.2 Å²	53.2	49%	0.494	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	136.4	169.6	29.2	-32.4	0	0	0	109.5	I3	I3-P36 HydrophobicContact CG2-CB 4.24Å; I3-P36 HydrophobicContact CG2-CG 4.08Å
37	H	64	Low	64.4	Low	104 Å²	104	52.1 Å²	52.1	48%	0.481	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	166.8	171.1	-169.2	-92.1	0	0	0	108.6	S39 C40 I42	H37-S39 PolarHBondContact O-N 2.88Å; H37-S39 VanDerWaalsContact O-N 3.09Å; H37-C40 CarbonylContact C-O 3.49Å; H37-C40 WeakPolarHBondContact CA-O 3.17Å; H37-C40 WeakPolarHBondContact CB-O 3.44Å; H37-C40 PolarHBondContact N-O 3.09Å; H37-C40 PolarHBondContact O-N 2.86Å; H37-I42 HydrophobicContact CB-CD1 4.09Å; H37-I42 HydrophobicContact CB-CG1 4.35Å
38	I	62	Low	64.4	Low	161 Å²	161	58.3 Å²	58.3	83%	0.826	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-36.4	-167.4	-63.4	171.7	0	0	0	113
39	S	65.4	Low	64.2	Low	65 Å²	65	58.7 Å²	58.7	46%	0.455	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	2	-176.7	56.4	0	0	0	0	114.2	H37 H62	H37-S39 PolarHBondContact O-N 2.88Å; H37-S39 VanDerWaalsContact O-N 3.09Å; S39-H62 PolarHBondContact O-CD2 3.06Å; S39-H62 PolarHBondContact O-N 2.89Å
40	C	57.2	Low	63.7	Low	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	169	-168.5	56.7	0	0	0	0	113.5	H37 D59 V60	H37-C40 CarbonylContact C-O 3.49Å; H37-C40 WeakPolarHBondContact CA-O 3.17Å; H37-C40 WeakPolarHBondContact CB-O 3.44Å; H37-C40 PolarHBondContact N-O 3.09Å; H37-C40 PolarHBondContact O-N 2.86Å; C40-D59 WeakPolarHBondContact CB-OD1 2.89Å; C40-D59 VanDerWaalsContact SG-CG 3.53Å; C40-D59 PolarHBondContact SG-OD1 3.21Å; C40-V60 WeakPolarHBondContact CA-O 3.24Å; C40-V60 WeakPolarHBondContact CB-O 3.29Å
41	I	64.5	Low	62.8	Low	36 Å²	36	72.2 Å²	72.2	19%	0.185	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.7	171.4	-59.4	176.2	0	0	0	107.7	I3 V34 F43	I3-I41 HydrophobicContact CD1-CG2 4.38Å; V34-I41 HydrophobicContact CG1-CG2 3.21Å; I41-F43 HydrophobicContact CB-CE2 3.87Å; I41-F43 HydrophobicContact CB-CZ 4.35Å; I41-F43 HydrophobicContact CG2-CD2 4.15Å; I41-F43 HydrophobicContact CG2-CE1 4.44Å; I41-F43 HydrophobicContact CG2-CE2 3.5Å; I41-F43 HydrophobicContact CG2-CZ 3.69Å
42	I	65.3	Low	61.5	Low	44 Å²	44	79.7 Å²	79.7	23%	0.226	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.5	177.5	-64.6	170.6	0	0	0	108.7	V34 Q35 H37 V57	V34-I42 CarbonylContact C-O 3.42Å; V34-I42 VanDerWaalsContact CA-O 3.3Å; V34-I42 WeakPolarHBondContact CA-O 3.17Å; Q35-I42 PolarHBondContact N-O 3.09Å; Q35-I42 PolarHBondContact O-N 3.42Å; H37-I42 HydrophobicContact CB-CD1 4.09Å; H37-I42 HydrophobicContact CB-CG1 4.35Å; I42-V57 HydrophobicContact CG2-CG1 3.69Å
43	F	67.3	Low	60.3	Low	19 Å²	19	80.8 Å²	80.8	8%	0.083	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.9	171.1	-63.2	-96.5	0	0	0	109.1	L13 I31 V34 I41 S56 V60 M66	L13-F43 HydrophobicContact CD1-CE1 4.32Å; L13-F43 HydrophobicContact CD2-CE1 4.12Å; L13-F43 HydrophobicContact CD2-CZ 4.44Å; I31-F43 HydrophobicContact CD1-CD1 4.32Å; I31-F43 HydrophobicContact CG2-CD1 4.3Å; V34-F43 HydrophobicContact CB-CD1 4.36Å; V34-F43 HydrophobicContact CB-CE1 4.46Å; V34-F43 HydrophobicContact CG1-CD1 3.77Å; V34-F43 HydrophobicContact CG1-CE1 3.63Å; V34-F43 HydrophobicContact CG1-CE2 4.46Å; V34-F43 HydrophobicContact CG1-CG 4.26Å; V34-F43 HydrophobicContact CG1-CZ 4.01Å; V34-F43 HydrophobicContact CG2-CD1 3.65Å; V34-F43 HydrophobicContact CG2-CE1 3.89Å; I41-F43 HydrophobicContact CB-CE2 3.87Å; I41-F43 HydrophobicContact CB-CZ 4.35Å; I41-F43 HydrophobicContact CG2-CD2 4.15Å; I41-F43 HydrophobicContact CG2-CE1 4.44Å; I41-F43 HydrophobicContact CG2-CE2 3.5Å; I41-F43 HydrophobicContact CG2-CZ 3.69Å; F43-S56 VanDerWaalsContact O-O 3.11Å; F43-V60 HydrophobicContact CD2-CG2 4.37Å; F43-V60 HydrophobicContact CE2-CG2 4.23Å; F43-M66 HydrophobicContact CD2-CE 3.76Å; F43-M66 HydrophobicContact CE2-CE 3.24Å; F43-M66 HydrophobicContact CZ-CE 3.79Å
44	L	65.6	Low	59.4	Low	45 Å²	45	82.6 Å²	82.6	24%	0.236	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120	161.4	-175.9	69	0	0	0	107.2	I31 K32 S33 Q55	I31-L44 CarbonylContact C-O 3.48Å; K32-L44 HydrophobicContact CB-CD2 4.07Å; K32-L44 HydrophobicContact CB-CG 4.21Å; K32-L44 PolarHBondContact N-O 3.47Å; S33-L44 PolarHBondContact N-O 3.41Å; S33-L44 PolarHBondContact O-N 3.14Å; S33-L44 WeakPolarHBondContact OG-CB 3.28Å; L44-Q55 HydrophobicContact CD1-CB 4.08Å; L44-Q55 HydrophobicContact CD1-CG 4.18Å
45	Y	66.5	Low	58.4	Low	5 Å²	5	88 Å²	88	2%	0.02	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	157.2	175.1	67.5	-99.2	0	0	0	111.7	L19 V29 I30 K47 Q55 Y58	L19-Y45 HydrophobicContact CD2-CD1 3.87Å; L19-Y45 HydrophobicContact CD2-CE1 3.26Å; L19-Y45 HydrophobicContact CD2-CE2 4.4Å; V29-Y45 HydrophobicContact CB-CD2 3.52Å; V29-Y45 HydrophobicContact CB-CE2 4.19Å; V29-Y45 HydrophobicContact CB-CG 3.91Å; V29-Y45 HydrophobicContact CG1-CD2 3.34Å; V29-Y45 HydrophobicContact CG1-CE2 3.47Å; V29-Y45 VanDerWaalsContact CG1-CE2 3.47Å; V29-Y45 HydrophobicContact CG1-CG 4.1Å; V29-Y45 HydrophobicContact CG2-CD2 4.28Å; V29-Y45 HydrophobicContact CG2-CG 4.23Å; I30-Y45 CarbonylContact O-C 3.57Å; I30-Y45 WeakPolarHBondContact O-CA 3.12Å; I30-Y45 WeakPolarHBondContact O-CB 2.83Å; Y45-K47 HydrophobicContact CE2-CB 4.23Å; Y45-Q55 WeakPolarHBondContact O-CA 3.21Å; Y45-Y58 AromaticContact CE1-CD2 3.5Å; Y45-Y58 HydrophobicContact CE1-CD2 3.5Å; Y45-Y58 VanDerWaalsContact CE1-CD2 3.5Å; Y45-Y58 AromaticContact CE1-CE2 3.61Å; Y45-Y58 HydrophobicContact CE1-CE2 3.61Å; Y45-Y58 AromaticContact CZ-CE2 3.64Å; Y45-Y58 WeakPolarHBondContact OH-CE2 3.24Å
46	E	62.9	Low	57.6	Low	38 Å²	38	84 Å²	84	18%	0.178	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	113.2	170.8	-99.8	178.1	-156.9	0	0	108.6	V29 I30 K32 R48 F53	V29-E46 CarbonylContact C-O 3.56Å; V29-E46 VanDerWaalsContact CA-O 3.28Å; V29-E46 WeakPolarHBondContact CA-O 3.1Å; I30-E46 HydrophobicContact CB-CB 4.31Å; I30-E46 PolarHBondContact N-O 3.09Å; I30-E46 PolarHBondContact O-N 2.99Å; K32-E46 WeakPolarHBondContact CE-OE1 3.46Å; K32-E46 WeakPolarHBondContact CE-OE2 3.3Å; K32-E46 HydrophobicContact CG-CG 4.38Å; K32-E46 IonicContact NZ-OE1 3.06Å; K32-E46 PolarHBondContact NZ-OE1 2.93Å; K32-E46 IonicContact NZ-OE2 2.74Å; K32-E46 PolarHBondContact NZ-OE2 2.78Å; E46-R48 PolarHBondContact O-N 2.81Å; E46-F53 HydrophobicContact CB-CD1 3.79Å; E46-F53 HydrophobicContact CB-CE1 4.38Å; E46-F53 VanDerWaalsContact CD-CD1 3.46Å; E46-F53 HydrophobicContact CG-CB 4.3Å; E46-F53 HydrophobicContact CG-CD1 3.67Å; E46-F53 HydrophobicContact CG-CE1 4.46Å; E46-F53 HydrophobicContact CG-CG 4.39Å; E46-F53 VanDerWaalsContact OE2-CD1 3.24Å; E46-F53 WeakPolarHBondContact OE2-CD1 3.4Å; E46-F53 VanDerWaalsContact OE2-CE1 3.24Å; E46-F53 WeakPolarHBondContact OE2-CE1 3.38Å
47	K	63.5	Low	56.9	Low	53 Å²	53	85.3 Å²	85.3	23%	0.23	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	125.2	170.2	178.6	169.4	163.8	164.1	0	108.7	L27 Y45 F49 F53 T54	L27-K47 HydrophobicContact CD1-CD 4.41Å; L27-K47 HydrophobicContact CD2-CD 3.77Å; L27-K47 HydrophobicContact CD2-CG 4.06Å; Y45-K47 HydrophobicContact CE2-CB 4.23Å; K47-F49 HydrophobicContact CD-CD2 4.46Å; K47-F49 HydrophobicContact CG-CB 4.42Å; K47-F49 HydrophobicContact CG-CD2 4.49Å; K47-F53 WeakPolarHBondContact O-CA 3.28Å; K47-T54 PolarHBondContact N-O 3.27Å
48	R	59.6	Low	56.3	Low	151 Å²	151	84.4 Å²	84.4	57%	0.57	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	109.2	166.9	-80.3	-174.1	165.5	174.5	-2.2	108.6	N28 E46 F53	N28-R48 PolarHBondContact O-N 3.36Å; E46-R48 PolarHBondContact O-N 2.81Å; R48-F53 HydrophobicContact CG-CE1 4.11Å
49	F	58.6	Low	55.7	Low	113 Å²	113	81.9 Å²	81.9	50%	0.496	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	102.6	172.5	-139.8	-96.3	0	0	0	108.1	L27 K47 E51 Y52	L27-F49 HydrophobicContact CD2-CD2 3.92Å; L27-F49 HydrophobicContact CD2-CE2 3.85Å; K47-F49 HydrophobicContact CD-CD2 4.46Å; K47-F49 HydrophobicContact CG-CB 4.42Å; K47-F49 HydrophobicContact CG-CD2 4.49Å; F49-E51 VanDerWaalsContact C-N 3.32Å; F49-E51 PolarHBondContact O-N 2.75Å; F49-E51 VanDerWaalsContact O-N 3.09Å; F49-Y52 PolarHBondContact N-O 3.24Å; F49-Y52 VanDerWaalsContact N-O 3.15Å; F49-Y52 WeakPolarHBondContact O-CB 2.98Å; F49-Y52 PolarHBondContact O-N 2.85Å
50	N	54	Low	55	Low	145 Å²	145	79.9 Å²	79.9	78%	0.775	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.5	58.8	176.7	-69	-8	0	0	0	113.5	Y52	N50-Y52 VanDerWaalsContact O-CD2 3.29Å; N50-Y52 WeakPolarHBondContact O-CD2 2.85Å; N50-Y52 PolarHBondContact O-N 2.99Å
51	E	46.4	Very low	54.5	Low	188 Å²	188	82.8 Å²	82.8	88%	0.879	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	-0.9	-179.9	-50.5	-176.8	154.5	0	0	117.9	F49	F49-E51 VanDerWaalsContact C-N 3.32Å; F49-E51 PolarHBondContact O-N 2.75Å; F49-E51 VanDerWaalsContact O-N 3.09Å
52	Y	41.2	Very low	53.8	Low	174 Å²	174	87 Å²	87	68%	0.682	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	137	174	-60.9	-82.8	0	0	0	112.1	F49 N50	F49-Y52 PolarHBondContact N-O 3.24Å; F49-Y52 VanDerWaalsContact N-O 3.15Å; F49-Y52 WeakPolarHBondContact O-CB 2.98Å; F49-Y52 PolarHBondContact O-N 2.85Å; N50-Y52 VanDerWaalsContact O-CD2 3.29Å; N50-Y52 WeakPolarHBondContact O-CD2 2.85Å; N50-Y52 PolarHBondContact O-N 2.99Å
53	F	44.5	Very low	52.6	Low	117 Å²	117	93.2 Å²	93.2	51%	0.513	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.7	174.4	-69.1	-84.1	0	0	0	110.1	E46 K47 R48	E46-F53 HydrophobicContact CB-CD1 3.79Å; E46-F53 HydrophobicContact CB-CE1 4.38Å; E46-F53 VanDerWaalsContact CD-CD1 3.46Å; E46-F53 HydrophobicContact CG-CB 4.3Å; E46-F53 HydrophobicContact CG-CD1 3.67Å; E46-F53 HydrophobicContact CG-CE1 4.46Å; E46-F53 HydrophobicContact CG-CG 4.39Å; E46-F53 VanDerWaalsContact OE2-CD1 3.24Å; E46-F53 WeakPolarHBondContact OE2-CD1 3.4Å; E46-F53 VanDerWaalsContact OE2-CE1 3.24Å; E46-F53 WeakPolarHBondContact OE2-CE1 3.38Å; K47-F53 WeakPolarHBondContact O-CA 3.28Å; R48-F53 HydrophobicContact CG-CE1 4.11Å
54	T	45.8	Very low	51.2	Low	70 Å²	70	97.6 Å²	97.6	43%	0.429	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.4	171.7	-32.5	0	0	0	0	109	K47	K47-T54 PolarHBondContact N-O 3.27Å
55	Q	44.9	Very low	49.9	Very low	127 Å²	127	104.5 Å²	104.5	59%	0.593	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.5	169.9	-71.9	-177.9	-8.6	0	0	109.3	L44 Y45	L44-Q55 HydrophobicContact CD1-CB 4.08Å; L44-Q55 HydrophobicContact CD1-CG 4.18Å; Y45-Q55 WeakPolarHBondContact O-CA 3.21Å
56	S	47.6	Very low	48.7	Very low	34 Å²	34	108.2 Å²	108.2	24%	0.238	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	142.9	174.9	-54.9	0	0	0	0	109.9	F43	F43-S56 VanDerWaalsContact O-O 3.11Å
57	V	47.4	Very low	47.6	Very low	102 Å²	102	114.2 Å²	114.2	62%	0.618	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.5	-178.6	176.1	0	0	0	0	106.6	I42	I42-V57 HydrophobicContact CG2-CG1 3.69Å
58	Y	51.1	Low	46.6	Very low	85 Å²	85	114.4 Å²	114.4	33%	0.333	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.9	174.4	-78.5	-107	0	0	0	109.8	V21 Y45	V21-Y58 HydrophobicContact CG1-CE1 4.17Å; V21-Y58 WeakPolarHBondContact CG1-OH 3.45Å; Y45-Y58 AromaticContact CE1-CD2 3.5Å; Y45-Y58 HydrophobicContact CE1-CD2 3.5Å; Y45-Y58 VanDerWaalsContact CE1-CD2 3.5Å; Y45-Y58 AromaticContact CE1-CE2 3.61Å; Y45-Y58 HydrophobicContact CE1-CE2 3.61Å; Y45-Y58 AromaticContact CZ-CE2 3.64Å; Y45-Y58 WeakPolarHBondContact OH-CE2 3.24Å
59	D	49.5	Very low	45.4	Very low	108 Å²	108	110.3 Å²	110.3	58%	0.578	54%	0.538	S	S	*	.			trans	-91.9	119.7	170.2	-165.5	-31	0	0	0	107.9	C40	C40-D59 WeakPolarHBondContact CB-OD1 2.89Å; C40-D59 VanDerWaalsContact SG-CG 3.53Å; C40-D59 PolarHBondContact SG-OD1 3.21Å
60	V	51.6	Low	44.2	Very low	23 Å²	23	111.5 Å²	111.5	14%	0.139	55%	0.546	C	S	.	.			trans	-115.4	101.4	-177.2	-176.3	0	0	0	0	107.9	C40 F43 H62 M66	C40-V60 WeakPolarHBondContact CA-O 3.24Å; C40-V60 WeakPolarHBondContact CB-O 3.29Å; F43-V60 HydrophobicContact CD2-CG2 4.37Å; F43-V60 HydrophobicContact CE2-CG2 4.23Å; V60-H62 PolarHBondContact O-N 2.74Å; V60-M66 HydrophobicContact CB-CE 4.12Å; V60-M66 HydrophobicContact CG1-CE 4.02Å; V60-M66 HydrophobicContact CG1-CG 4.15Å; V60-M66 HydrophobicContact CG2-CE 3.19Å; V60-M66 HydrophobicContact CG2-CG 4.3Å; V60-M66 HydrophobicContact CG2-SD 3.78Å
61	P	47.7	Very low	43.2	Very low	62 Å²	62	116.2 Å²	116.2	40%	0.403	56%	0.564	S	S	.	*	B	Isolated β-bridge	trans	-57.6	138.4	175.5	-20.8	30.7	0	0	0	110	Q63 N64	P61-Q63 PolarHBondContact O-N 2.96Å; P61-N64 PolarHBondContact O-N 3.49Å
62	H	47.7	Very low	43	Very low	123 Å²	123	112.6 Å²	112.6	57%	0.569	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-14.9	179.7	-80.4	-70	0	0	0	116.1	S39 V60	S39-H62 PolarHBondContact O-CD2 3.06Å; S39-H62 PolarHBondContact O-N 2.89Å; V60-H62 PolarHBondContact O-N 2.74Å
63	Q	40.6	Very low	43.1	Very low	176 Å²	176	109.4 Å²	109.4	82%	0.822	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-7.2	-177.7	-63.8	-171.3	-20.1	0	0	114.7	P61	P61-Q63 PolarHBondContact O-N 2.96Å
64	N	38.6	Very low	43	Very low	111 Å²	111	108.9 Å²	108.9	59%	0.594	54%	0.543	S	S	*	.	S	Bend	trans	-101	117.3	177.9	-78.6	-19.1	0	0	0	110.7	P61 M66	P61-N64 PolarHBondContact O-N 3.49Å; N64-M66 PolarHBondContact O-N 3.15Å
65	H	37.9	Very low	42.9	Very low	189 Å²	189	111.2 Å²	111.2	88%	0.875	55%	0.549	S	S	*	.			trans	-65	103.2	175.7	-68	-163.6	0	0	0	109.6	K67	H65-K67 PolarHBondContact O-N 2.84Å
66	M	42.6	Very low	42.7	Very low	83 Å²	83	110.3 Å²	110.3	41%	0.409	55%	0.546	S	S	.	.			trans	-75.6	114.3	156.1	-91.1	-157.3	-53.7	0	0	108.5	L19 F43 V60 N64 L68	L19-M66 HydrophobicContact CD1-SD 3.9Å; F43-M66 HydrophobicContact CD2-CE 3.76Å; F43-M66 HydrophobicContact CE2-CE 3.24Å; F43-M66 HydrophobicContact CZ-CE 3.79Å; V60-M66 HydrophobicContact CB-CE 4.12Å; V60-M66 HydrophobicContact CG1-CE 4.02Å; V60-M66 HydrophobicContact CG1-CG 4.15Å; V60-M66 HydrophobicContact CG2-CE 3.19Å; V60-M66 HydrophobicContact CG2-CG 4.3Å; V60-M66 HydrophobicContact CG2-SD 3.78Å; N64-M66 PolarHBondContact O-N 3.15Å; M66-L68 PolarHBondContact O-N 3.43Å
67	K	39.4	Very low	42.4	Very low	164 Å²	164	115.3 Å²	115.3	71%	0.713	57%	0.567	S	S	*	*			trans	-87.1	94.3	169	-164.9	-177.9	-178.9	-174.2	0	107.8	H65 I69	H65-K67 PolarHBondContact O-N 2.84Å; K67-I69 HydrophobicContact CD-CD1 4.02Å; K67-I69 HydrophobicContact CD-CG1 3.9Å; K67-I69 HydrophobicContact CG-CD1 4.43Å; K67-I69 HydrophobicContact CG-CG1 3.8Å; K67-I69 PolarHBondContact O-N 3.09Å
68	L	42.3	Very low	42	Very low	58 Å²	58	116.3 Å²	116.3	30%	0.304	56%	0.563	S	S	.	*			trans	-73.4	105.7	162.8	-161.1	87	0	0	0	106.6	P14 S18 M66	P14-L68 HydrophobicContact CG-CD2 3.4Å; S18-L68 WeakPolarHBondContact O-CD1 3.49Å; M66-L68 PolarHBondContact O-N 3.43Å
69	I	34.7	Very low	41.3	Very low	64 Å²	64	118.7 Å²	118.7	33%	0.328	58%	0.581	S	S	.	*			trans	-88	115.4	173.1	-52.2	177.5	0	0	0	106.2	Y20 K67	Y20-I69 HydrophobicContact CD2-CG1 4.46Å; Y20-I69 HydrophobicContact CE2-CB 3.68Å; Y20-I69 HydrophobicContact CE2-CD1 4.01Å; Y20-I69 HydrophobicContact CE2-CG1 3.9Å; K67-I69 HydrophobicContact CD-CD1 4.02Å; K67-I69 HydrophobicContact CD-CG1 3.9Å; K67-I69 HydrophobicContact CG-CD1 4.43Å; K67-I69 HydrophobicContact CG-CG1 3.8Å; K67-I69 PolarHBondContact O-N 3.09Å
70	M	32.5	Very low	40.7	Very low	138 Å²	138	119.6 Å²	119.6	68%	0.68	58%	0.581	S	S	*	*			trans	-83.3	128.3	168.1	-59.1	-178.7	-65.5	0	0	106.9
71	E	32.4	Very low	39.7	Very low	244 Å²	244	128.4 Å²	128.4	100%	1.14	62%	0.622	S	S	*	*			trans	-78.4	0	154.6	-71.3	-173.9	166.6	0	0	109.5

Retrieved 71 of 71 residues in 86.6 ms (Link to these results)

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