G4VQ81_SCHMA Loading...

HlyD family secretion protein

AlphaFold DB , UniProt , Accession G4VQ81, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 70 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] 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
1M48.2Very low63.3Low209 Ų209108 Ų108100%1.0361%0.613SS**  0119.10-70.5-179.2157.200105.9G3 T32M1-G3 PolarHBondContact O-N 3.44Å; M1-T32 HydrophobicContact CE-CG2 3.61Å
2D56.8Low63.4Low127 Ų127107.7 Ų107.768%0.67960%0.602SS**  trans-69101.7175.4-164.4-97000106.1T4D2-T4 PolarHBondContact O-N 3.27Å
3G57.9Low62.9Low77 Ų77109.2 Ų109.279%0.79462%0.616SS**  trans-74.738.2-162.800000114.1M1 E5M1-G3 PolarHBondContact O-N 3.44Å; G3-E5 PolarHBondContact O-N 3.02Å; G3-E5 VanDerWaalsContact O-N 3.14Å
4T64.1Low62.6Low111 Ų111106.9 Ų106.968%0.68163%0.629SS**  trans-73.9104.5169.2400000107.9D2D2-T4 PolarHBondContact O-N 3.27Å
5E67.5Low62.5Low171 Ų171106.8 Ų106.880%0.79962%0.623SS**PPolyproline II helixtrans-52.2132.517157.3-173.410700109.7G3G3-E5 PolarHBondContact O-N 3.02Å; G3-E5 VanDerWaalsContact O-N 3.14Å
6P70.1Confident62.8Low35 Ų35102.4 Ų102.423%0.22760%0.596CS.*PPolyproline II helixtrans-64.9135.5178.925.8-32.5000108.9V8 L39P6-V8 PolarHBondContact O-N 3.48Å; P6-V8 VanDerWaalsContact O-N 3.1Å; P6-L39 HydrophobicContact CB-CB 4.3Å; P6-L39 HydrophobicContact CG-CB 3.94Å
7P67.5Low63.1Low86 Ų86104.9 Ų104.956%0.55860%0.598SS**PPolyproline II helixtrans-60.3121.5176.624.5-32.4000109.1Y38P7-Y38 HydrophobicContact CG-CD1 4.11Å; P7-Y38 HydrophobicContact CG-CE1 4.35Å
8V70.5Confident63.2Low95 Ų95106.5 Ų106.558%0.57661%0.613SS**BIsolated β-bridgetrans-82.5121176.4-171.10000108P6 L39P6-V8 PolarHBondContact O-N 3.48Å; P6-V8 VanDerWaalsContact O-N 3.1Å; V8-L39 WeakPolarHBondContact CA-O 3.27Å; V8-L39 HydrophobicContact CG2-CB 4.27Å; V8-L39 HydrophobicContact CG2-CD2 4.03Å; V8-L39 HydrophobicContact CG2-CG 4.42Å
9G66.8Low63.3Low39 Ų39103.9 Ų103.940%0.40261%0.612SS.*  trans-167.3165.8-177.300000113.9V11 L39G9-V11 PolarHBondContact O-N 2.96Å; G9-L39 PolarHBondContact N-O 3.46Å
10R64Low63.5Low195 Ų195100.8 Ų100.874%0.73659%0.591SS**  trans-69.5111.4170.3-179.2179.5173.5166.3-2.1108.2E12R10-E12 HydrophobicContact CG-CG 4.21Å; R10-E12 IonicContact CZ-OE1 3.41Å; R10-E12 IonicContact NE-OE1 3.4Å; R10-E12 PolarHBondContact NE-OE1 3.27Å; R10-E12 IonicContact NH2-OE1 3.18Å; R10-E12 PolarHBondContact O-N 3.39Å
11V63.3Low63.7Low43 Ų43100.1 Ų100.126%0.26159%0.589SS.*  trans-82107172.7175.70000108.8G9 I16 Y38 V40 I49G9-V11 PolarHBondContact O-N 2.96Å; V11-I16 HydrophobicContact CG1-CD1 3.59Å; V11-I16 HydrophobicContact CG1-CG1 4.23Å; V11-Y38 HydrophobicContact CG2-CG 4.31Å; V11-V40 HydrophobicContact CB-CG2 4.15Å; V11-V40 HydrophobicContact CG2-CG2 3.6Å; V11-I49 HydrophobicContact CB-CD1 3.84Å; V11-I49 HydrophobicContact CG1-CD1 4Å; V11-I49 HydrophobicContact CG2-CD1 3.66Å
12E63.7Low64.7Low104 Ų10492 Ų9249%0.48655%0.55SS.*  trans-86133.6169.2-58.6-162.9133.800108.9R10 G14 I15R10-E12 HydrophobicContact CG-CG 4.21Å; R10-E12 IonicContact CZ-OE1 3.41Å; R10-E12 IonicContact NE-OE1 3.4Å; R10-E12 PolarHBondContact NE-OE1 3.27Å; R10-E12 IonicContact NH2-OE1 3.18Å; R10-E12 PolarHBondContact O-N 3.39Å; E12-G14 PolarHBondContact O-N 3.01Å; E12-I15 PolarHBondContact O-N 3.32Å
13T57.3Low65.3Low127 Ų12789.2 Ų89.278%0.77954%0.538SS*.G310 helixtrans-52.5-26.1-176.526.80000113.4I15 I16T13-I15 VanDerWaalsContact C-N 3.31Å; T13-I15 PolarHBondContact O-N 3.38Å; T13-I16 PolarHBondContact O-N 3.27Å
14G58.1Low66Low77 Ų7791.9 Ų91.979%0.79453%0.528SS*.G310 helixtrans-69.3-18.1176.700000115.8E12 I16E12-G14 PolarHBondContact O-N 3.01Å; G14-I16 VanDerWaalsContact C-N 3.32Å
15I62.3Low66.3Low106 Ų10687.1 Ų87.154%0.54450%0.5SS..G310 helixtrans-78.4-23.4176.8-59.1172.9000110.8E12 T13 K17E12-I15 PolarHBondContact O-N 3.32Å; T13-I15 VanDerWaalsContact C-N 3.31Å; T13-I15 PolarHBondContact O-N 3.38Å; I15-K17 PolarHBondContact O-N 3.25Å
16I66.7Low66.2Low36 Ų3682.3 Ų82.319%0.18548%0.484CS..SBendtrans-86.5115.7-176.8-62.5151.1000108.6V11 T13 G14 M20 V22V11-I16 HydrophobicContact CG1-CD1 3.59Å; V11-I16 HydrophobicContact CG1-CG1 4.23Å; T13-I16 PolarHBondContact O-N 3.27Å; G14-I16 VanDerWaalsContact C-N 3.32Å; I16-M20 HydrophobicContact CG2-CB 3.55Å; I16-M20 HydrophobicContact CG2-CG 4.45Å; I16-M20 HydrophobicContact CG2-SD 4.24Å; I16-V22 HydrophobicContact CD1-CG2 3.64Å; I16-V22 HydrophobicContact CG1-CG2 4.09Å; I16-V22 HydrophobicContact CG2-CG2 3.92Å
17K67.3Low66Low145 Ų14586.9 Ų86.963%0.6350%0.502SS*.  trans-62.8146.6-179-63.8-174.3176.8-177.20111I15 G19 M20I15-K17 PolarHBondContact O-N 3.25Å; K17-G19 PolarHBondContact O-N 3.18Å; K17-M20 HydrophobicContact CB-CE 3.88Å; K17-M20 HydrophobicContact CB-CG 4.2Å; K17-M20 HydrophobicContact CB-SD 3.8Å; K17-M20 HydrophobicContact CD-CE 3.96Å; K17-M20 HydrophobicContact CG-CE 3.99Å; K17-M20 HydrophobicContact CG-SD 4.27Å; K17-M20 PolarHBondContact N-SD 3.42Å; K17-M20 VanDerWaalsContact N-SD 3.45Å; K17-M20 VanDerWaalsContact O-CB 3.24Å; K17-M20 WeakPolarHBondContact O-CB 3.42Å; K17-M20 WeakPolarHBondContact O-CG 3.34Å; K17-M20 PolarHBondContact O-N 3.41Å
18P65.6Low66Low134 Ų13487.7 Ų87.787%0.8752%0.516SS*.THydrogen-bonded Turntrans-51.8135.5172-25.733.9000111.9M20P18-M20 VanDerWaalsContact C-N 3.33Å
19G65.2Low65.8Low58 Ų5889 Ų8960%0.59852%0.518SS*.THydrogen-bonded Turntrans84.3-1.5-176.900000115.2K17K17-G19 PolarHBondContact O-N 3.18Å
20M66.3Low65.6Low40 Ų4088.9 Ų88.920%0.19751%0.508CS..PPolyproline II helixtrans-80.2126.2166.6-73-179.2173.900110.3I16 K17 P18 V51 Q53I16-M20 HydrophobicContact CG2-CB 3.55Å; I16-M20 HydrophobicContact CG2-CG 4.45Å; I16-M20 HydrophobicContact CG2-SD 4.24Å; K17-M20 HydrophobicContact CB-CE 3.88Å; K17-M20 HydrophobicContact CB-CG 4.2Å; K17-M20 HydrophobicContact CB-SD 3.8Å; K17-M20 HydrophobicContact CD-CE 3.96Å; K17-M20 HydrophobicContact CG-CE 3.99Å; K17-M20 HydrophobicContact CG-SD 4.27Å; K17-M20 PolarHBondContact N-SD 3.42Å; K17-M20 VanDerWaalsContact N-SD 3.45Å; K17-M20 VanDerWaalsContact O-CB 3.24Å; K17-M20 WeakPolarHBondContact O-CB 3.42Å; K17-M20 WeakPolarHBondContact O-CG 3.34Å; K17-M20 PolarHBondContact O-N 3.41Å; P18-M20 VanDerWaalsContact C-N 3.33Å; M20-V51 HydrophobicContact CB-CG1 3.88Å; M20-V51 HydrophobicContact CE-CG1 4.23Å; M20-V51 HydrophobicContact CG-CG1 3.73Å; M20-V51 HydrophobicContact SD-CG1 3.44Å; M20-V51 WeakPolarHBondContact SD-CG1 3.4Å; M20-Q53 HydrophobicContact CE-CG 4.1Å
21V68.3Low65.4Low88 Ų8884.8 Ų84.853%0.53350%0.501SS..EExtended strand (participates in β ladder)trans-90.5127.2172.6-178.30000108.5L50 V51 Q52V21-L50 VanDerWaalsContact O-O 3.09Å; V21-V51 WeakPolarHBondContact O-CA 3.31Å; V21-Q52 HydrophobicContact CB-CB 4.33Å; V21-Q52 PolarHBondContact N-O 3.03Å; V21-Q52 PolarHBondContact O-N 3.27Å
22V69.5Low65.2Low37 Ų3788.2 Ų88.222%0.22452%0.522CS..EExtended strand (participates in β ladder)trans-103.3116.4175.2168.40000108.8I16 F24 I49 L50I16-V22 HydrophobicContact CD1-CG2 3.64Å; I16-V22 HydrophobicContact CG1-CG2 4.09Å; I16-V22 HydrophobicContact CG2-CG2 3.92Å; V22-F24 HydrophobicContact CG1-CD1 4.43Å; V22-F24 HydrophobicContact CG1-CD2 4.27Å; V22-F24 HydrophobicContact CG1-CE1 4.02Å; V22-F24 HydrophobicContact CG1-CE2 3.79Å; V22-F24 HydrophobicContact CG1-CZ 3.66Å; V22-I49 HydrophobicContact CB-CG2 4.47Å; V22-I49 HydrophobicContact CG1-CB 4.46Å; V22-I49 HydrophobicContact CG1-CG1 4.16Å; V22-I49 HydrophobicContact CG1-CG2 3.72Å; V22-I49 HydrophobicContact CG2-CG2 4.19Å; V22-L50 WeakPolarHBondContact CA-O 3.44Å
23T69.7Low65.3Low70 Ų7087.6 Ų87.643%0.42953%0.529SS..EExtended strand (participates in β ladder)trans-107125.2171.8-52.90000108.7Y48 L50T23-Y48 VanDerWaalsContact O-O 3.13Å; T23-L50 PolarHBondContact N-O 3.45Å; T23-L50 VanDerWaalsContact N-O 3.15Å; T23-L50 PolarHBondContact O-N 3.49Å; T23-L50 VanDerWaalsContact O-N 3.09Å
24F72.3Confident65.8Low132 Ų13285.3 Ų85.358%0.57951%0.512SS*.EExtended strand (participates in β ladder)trans-91.6117.5171.7-62.2-75000108.3V22 I47 Y48 I49V22-F24 HydrophobicContact CG1-CD1 4.43Å; V22-F24 HydrophobicContact CG1-CD2 4.27Å; V22-F24 HydrophobicContact CG1-CE1 4.02Å; V22-F24 HydrophobicContact CG1-CE2 3.79Å; V22-F24 HydrophobicContact CG1-CZ 3.66Å; F24-I47 HydrophobicContact CB-CG2 3.52Å; F24-I47 HydrophobicContact CD1-CG2 3.46Å; F24-I47 VanDerWaalsContact CD1-CG2 3.46Å; F24-I47 HydrophobicContact CG-CG2 3.92Å; F24-Y48 WeakPolarHBondContact CA-O 3.43Å; F24-I49 HydrophobicContact CD1-CD1 4.29Å; F24-I49 HydrophobicContact CD1-CG1 3.69Å; F24-I49 HydrophobicContact CE1-CD1 3.68Å; F24-I49 HydrophobicContact CE1-CG1 3.57Å
25A69.2Low66.3Low11 Ų1189.7 Ų89.79%0.09151%0.509CS..EExtended strand (participates in β ladder)trans-132.1140.6177.200000110.5I30 Y48A25-I30 HydrophobicContact CB-CG2 3.65Å; A25-Y48 PolarHBondContact N-O 3.31Å; A25-Y48 VanDerWaalsContact N-O 3.16Å; A25-Y48 PolarHBondContact O-N 3.37Å; A25-Y48 VanDerWaalsContact O-N 3.16Å
26P66.9Low66.7Low70 Ų7086.5 Ų86.546%0.45550%0.495SS..  trans-66.2152.9167.529.1-32.4000109.5A28 I29P26-A28 PolarHBondContact O-N 2.87Å; P26-I29 HydrophobicContact CG-CB 4.09Å; P26-I29 HydrophobicContact CG-CD1 3.44Å; P26-I29 VanDerWaalsContact CG-CD1 3.44Å; P26-I29 HydrophobicContact CG-CG1 3.74Å; P26-I29 PolarHBondContact O-N 2.98Å
27Q65.5Low67Low132 Ų13289.3 Ų89.362%0.61751%0.506SS*.THydrogen-bonded Turntrans-53.7-31.6-176.4-159.2174100113.5I29 I30 Y48Q27-I29 VanDerWaalsContact C-N 3.28Å; Q27-I29 PolarHBondContact O-N 3.19Å; Q27-I30 HydrophobicContact CG-CD1 4.39Å; Q27-I30 WeakPolarHBondContact O-CG1 3.34Å; Q27-Y48 HydrophobicContact CB-CD2 4.1Å; Q27-Y48 HydrophobicContact CB-CE2 3.5Å; Q27-Y48 VanDerWaalsContact CB-CE2 3.5Å; Q27-Y48 HydrophobicContact CG-CD2 4.4Å; Q27-Y48 HydrophobicContact CG-CE2 3.58Å; Q27-Y48 PolarHBondContact NE2-OH 3.33Å; Q27-Y48 PolarHBondContact OE1-OH 2.98Å
28A67.9Low67.4Low102 Ų10285.6 Ų85.684%0.84349%0.488SS*.THydrogen-bonded Turntrans-71.3-19.8-178.700000113.9P26P26-A28 PolarHBondContact O-N 2.87Å
29I66.4Low67.7Low122 Ų12280 Ų8063%0.62645%0.451SS*.THydrogen-bonded Turntrans-103.3-16.6-173-62.5179.1000112.1P26 Q27 D31P26-I29 HydrophobicContact CG-CB 4.09Å; P26-I29 HydrophobicContact CG-CD1 3.44Å; P26-I29 VanDerWaalsContact CG-CD1 3.44Å; P26-I29 HydrophobicContact CG-CG1 3.74Å; P26-I29 PolarHBondContact O-N 2.98Å; Q27-I29 VanDerWaalsContact C-N 3.28Å; Q27-I29 PolarHBondContact O-N 3.19Å; I29-D31 PolarHBondContact O-N 3.39Å
30I61.9Low68.2Low37 Ų3777.7 Ų77.719%0.1943%0.425CS..  trans-69.5105.4178.644.4169.7000110.4A25 Q27 T32 P36 Y48 L50A25-I30 HydrophobicContact CB-CG2 3.65Å; Q27-I30 HydrophobicContact CG-CD1 4.39Å; Q27-I30 WeakPolarHBondContact O-CG1 3.34Å; I30-T32 PolarHBondContact O-N 3.4Å; I30-P36 HydrophobicContact CD1-CG 4.31Å; I30-Y48 HydrophobicContact CD1-CD1 4.12Å; I30-Y48 HydrophobicContact CD1-CD2 4.3Å; I30-Y48 HydrophobicContact CD1-CE1 4.48Å; I30-Y48 HydrophobicContact CD1-CG 4.01Å; I30-L50 HydrophobicContact CG2-CD1 4.11Å; I30-L50 HydrophobicContact CG2-CD2 4.48Å
31D59.9Low68.5Low110 Ų11082 Ų8259%0.58844%0.441SS*.  trans-56.5134.2170.2-149.8-81.3000109.6I29 S33 L34I29-D31 PolarHBondContact O-N 3.39Å; D31-S33 PolarHBondContact O-N 3.47Å; D31-S33 PolarHBondContact OD1-OG 3.47Å; D31-L34 PolarHBondContact O-N 2.92Å
32T60.1Low68.7Low115 Ų11583.1 Ų83.171%0.70644%0.438SS*.THydrogen-bonded Turntrans-56.9-18.3-173.6-38.30000113.1M1 I30 L34M1-T32 HydrophobicContact CE-CG2 3.61Å; I30-T32 PolarHBondContact O-N 3.4Å; T32-L34 VanDerWaalsContact C-N 3.31Å; T32-L34 PolarHBondContact O-N 2.98Å
33S65.5Low69.1Low91 Ų9190 Ų9064%0.63647%0.468SS*.THydrogen-bonded Turntrans-70-21.417663.30000114.2D31D31-S33 PolarHBondContact O-N 3.47Å; D31-S33 PolarHBondContact OD1-OG 3.47Å
34L66.5Low69.3Low79 Ų7988.8 Ų88.841%0.41447%0.469SS..SBendtrans-102.6117.2177.9-57.6178.3000109.8D31 T32 P36 L50D31-L34 PolarHBondContact O-N 2.92Å; T32-L34 VanDerWaalsContact C-N 3.31Å; T32-L34 PolarHBondContact O-N 2.98Å; L34-P36 VanDerWaalsContact O-CD 3.29Å; L34-P36 WeakPolarHBondContact O-CD 3.25Å; L34-L50 HydrophobicContact CB-CD1 4.09Å; L34-L50 HydrophobicContact CB-CD2 3.82Å; L34-L50 HydrophobicContact CD1-CD1 3.71Å
35K69.8Low69.5Low168 Ų16888.9 Ų88.973%0.7347%0.471SS*.  trans-82.1114.1173.3-66.2-174.3-178.6-176.70109.1K37K35-K37 PolarHBondContact O-N 3.14Å
36P69.2Low69.6Low40 Ų4093.8 Ų93.826%0.2649%0.491SS..  trans-61.9139.1171.527.3-33.4000109.6I30 L34 Y48 L50I30-P36 HydrophobicContact CD1-CG 4.31Å; L34-P36 VanDerWaalsContact O-CD 3.29Å; L34-P36 WeakPolarHBondContact O-CD 3.25Å; P36-Y48 HydrophobicContact CB-CD1 3.62Å; P36-Y48 HydrophobicContact CB-CG 4.26Å; P36-Y48 HydrophobicContact CG-CD1 3.7Å; P36-Y48 HydrophobicContact CG-CE1 4.31Å; P36-L50 VanDerWaalsContact CA-CD2 3.43Å; P36-L50 HydrophobicContact CB-CD2 3.96Å
37K74Confident69.8Low94 Ų9492.6 Ų92.641%0.40948%0.48SS..  trans-98.4-30.3-178.1-164.7167.6-179.1169.90112.1K35 I49 V51K35-K37 PolarHBondContact O-N 3.14Å; K37-I49 PolarHBondContact N-O 3.32Å; K37-V51 HydrophobicContact CB-CG2 4.37Å; K37-V51 HydrophobicContact CD-CB 4.28Å; K37-V51 HydrophobicContact CD-CG2 4.47Å
38Y75Confident70.2Confident67 Ų6787.6 Ų87.626%0.26346%0.456SS..EExtended strand (participates in β ladder)trans-138.2148.7178.7-52.5-83.2000110.1P7 V11 I49 V51P7-Y38 HydrophobicContact CG-CD1 4.11Å; P7-Y38 HydrophobicContact CG-CE1 4.35Å; V11-Y38 HydrophobicContact CG2-CG 4.31Å; Y38-I49 HydrophobicContact CD2-CG2 4.16Å; Y38-I49 PolarHBondContact N-O 3.48Å; Y38-I49 PolarHBondContact O-N 3.39Å; Y38-V51 HydrophobicContact CD2-CG2 4.03Å; Y38-V51 HydrophobicContact CE2-CG2 3.89Å
39L72.9Confident70.5Confident17 Ų1782.8 Ų82.89%0.08942%0.416CS..EExtended strand (participates in β ladder)trans-116130171.8-178.961.1000108.4P6 V8 G9 F46 Y48P6-L39 HydrophobicContact CB-CB 4.3Å; P6-L39 HydrophobicContact CG-CB 3.94Å; V8-L39 WeakPolarHBondContact CA-O 3.27Å; V8-L39 HydrophobicContact CG2-CB 4.27Å; V8-L39 HydrophobicContact CG2-CD2 4.03Å; V8-L39 HydrophobicContact CG2-CG 4.42Å; G9-L39 PolarHBondContact N-O 3.46Å; L39-F46 HydrophobicContact CD1-CB 4.02Å; L39-F46 HydrophobicContact CD1-CD1 4.1Å; L39-F46 HydrophobicContact CD2-CD1 3.93Å; L39-F46 HydrophobicContact CD2-CE1 4.41Å; L39-F46 HydrophobicContact CG-CD1 4.03Å; L39-Y48 HydrophobicContact CD1-CD1 3.72Å; L39-Y48 HydrophobicContact CD1-CD2 3.79Å; L39-Y48 HydrophobicContact CD1-CE1 3.58Å; L39-Y48 HydrophobicContact CD1-CE2 3.58Å; L39-Y48 HydrophobicContact CD1-CG 3.85Å; L39-Y48 VanDerWaalsContact CD1-CZ 3.5Å; L39-Y48 HydrophobicContact CD2-CE1 4.37Å; L39-Y48 HydrophobicContact CG-CE1 4.41Å
40V75Confident70.8Confident9 Ų977.8 Ų77.86%0.05539%0.39CS..EExtended strand (participates in β ladder)trans-126134.4-178.4-172.80000109.6V11 K42 I47 I49V11-V40 HydrophobicContact CB-CG2 4.15Å; V11-V40 HydrophobicContact CG2-CG2 3.6Å; V40-K42 HydrophobicContact CG1-CG 3.98Å; V40-I47 PolarHBondContact N-O 2.88Å; V40-I47 PolarHBondContact O-N 2.94Å; V40-I49 HydrophobicContact CB-CD1 4.46Å; V40-I49 HydrophobicContact CG2-CD1 3.38Å; V40-I49 HydrophobicContact CG2-CG1 4.19Å
41Y72.3Confident71.2Confident132 Ų13277.2 Ų77.252%0.51839%0.388SS..EExtended strand (participates in β ladder)trans-97123.2172.5-170.5-105000110.3G44 H45 F46Y41-G44 VanDerWaalsContact CE2-C 3.5Å; Y41-G44 WeakPolarHBondContact CE2-O 3.44Å; Y41-G44 WeakPolarHBondContact OH-CA 3.36Å; Y41-H45 WeakPolarHBondContact CA-O 3.24Å; Y41-F46 AromaticContact CD2-CD1 3.89Å; Y41-F46 HydrophobicContact CD2-CD1 3.89Å; Y41-F46 HydrophobicContact CD2-CD2 4.16Å; Y41-F46 AromaticContact CD2-CE1 3.73Å; Y41-F46 HydrophobicContact CD2-CE1 3.73Å; Y41-F46 AromaticContact CD2-CE2 4Å; Y41-F46 HydrophobicContact CD2-CE2 4Å; Y41-F46 HydrophobicContact CD2-CG 4.11Å; Y41-F46 AromaticContact CD2-CZ 3.78Å; Y41-F46 HydrophobicContact CD2-CZ 3.78Å; Y41-F46 HydrophobicContact CE2-CD2 4.31Å; Y41-F46 HydrophobicContact CE2-CE1 4.47Å; Y41-F46 AromaticContact CE2-CE2 3.98Å; Y41-F46 HydrophobicContact CE2-CE2 3.98Å; Y41-F46 HydrophobicContact CE2-CZ 4.07Å; Y41-F46 HydrophobicContact CG-CE1 4.46Å
42K72.9Confident71.7Confident111 Ų11176.6 Ų76.648%0.48338%0.382SS..EExtended strand (participates in β ladder)trans-142.5131.8179-73.3-65-177.4176.90110.2V40 G44 H45 I47V40-K42 HydrophobicContact CG1-CG 3.98Å; K42-G44 PolarHBondContact O-N 3.18Å; K42-G44 VanDerWaalsContact O-N 3.14Å; K42-H45 PolarHBondContact N-O 3.39Å; K42-H45 WeakPolarHBondContact O-CA 3.37Å; K42-H45 PolarHBondContact O-N 2.73Å; K42-I47 HydrophobicContact CB-CD1 3.87Å; K42-I47 HydrophobicContact CG-CD1 4.32Å
43E79Confident72.1Confident180 Ų18074.6 Ų74.684%0.84137%0.365SS*.THydrogen-bonded Turntrans51.538.8173.7-55.5-59113.200113.5H45E43-H45 VanDerWaalsContact C-N 3.27Å; E43-H45 PolarHBondContact O-CD2 3.18Å; E43-H45 VanDerWaalsContact O-CD2 3.28Å; E43-H45 PolarHBondContact O-N 3.06Å
44G72.9Confident71.9Confident45 Ų4573 Ų7346%0.46435%0.352SS..THydrogen-bonded Turntrans84.1-7.5-177.600000115.5Y41 K42Y41-G44 VanDerWaalsContact CE2-C 3.5Å; Y41-G44 WeakPolarHBondContact CE2-O 3.44Å; Y41-G44 WeakPolarHBondContact OH-CA 3.36Å; K42-G44 PolarHBondContact O-N 3.18Å; K42-G44 VanDerWaalsContact O-N 3.14Å
45H76Confident72Confident134 Ų13476.7 Ų76.762%0.6237%0.365SS*.EExtended strand (participates in β ladder)trans-111.6138.9-174-67.9-75.7000113Y41 K42 E43Y41-H45 WeakPolarHBondContact CA-O 3.24Å; K42-H45 PolarHBondContact N-O 3.39Å; K42-H45 WeakPolarHBondContact O-CA 3.37Å; K42-H45 PolarHBondContact O-N 2.73Å; E43-H45 VanDerWaalsContact C-N 3.27Å; E43-H45 PolarHBondContact O-CD2 3.18Å; E43-H45 VanDerWaalsContact O-CD2 3.28Å; E43-H45 PolarHBondContact O-N 3.06Å
46F71.9Confident71.9Confident115 Ų11578 Ų7850%0.50437%0.37SS..EExtended strand (participates in β ladder)trans-82.9120.3168.5-73.1-76.5000110.2L39 Y41L39-F46 HydrophobicContact CD1-CB 4.02Å; L39-F46 HydrophobicContact CD1-CD1 4.1Å; L39-F46 HydrophobicContact CD2-CD1 3.93Å; L39-F46 HydrophobicContact CD2-CE1 4.41Å; L39-F46 HydrophobicContact CG-CD1 4.03Å; Y41-F46 AromaticContact CD2-CD1 3.89Å; Y41-F46 HydrophobicContact CD2-CD1 3.89Å; Y41-F46 HydrophobicContact CD2-CD2 4.16Å; Y41-F46 AromaticContact CD2-CE1 3.73Å; Y41-F46 HydrophobicContact CD2-CE1 3.73Å; Y41-F46 AromaticContact CD2-CE2 4Å; Y41-F46 HydrophobicContact CD2-CE2 4Å; Y41-F46 HydrophobicContact CD2-CG 4.11Å; Y41-F46 AromaticContact CD2-CZ 3.78Å; Y41-F46 HydrophobicContact CD2-CZ 3.78Å; Y41-F46 HydrophobicContact CE2-CD2 4.31Å; Y41-F46 HydrophobicContact CE2-CE1 4.47Å; Y41-F46 AromaticContact CE2-CE2 3.98Å; Y41-F46 HydrophobicContact CE2-CE2 3.98Å; Y41-F46 HydrophobicContact CE2-CZ 4.07Å; Y41-F46 HydrophobicContact CG-CE1 4.46Å
47I72Confident71.8Confident44 Ų4481.1 Ų81.123%0.22638%0.384CS..EExtended strand (participates in β ladder)trans-115.6119.8-179.2-49.2-178.8000108.6F24 V40 K42F24-I47 HydrophobicContact CB-CG2 3.52Å; F24-I47 HydrophobicContact CD1-CG2 3.46Å; F24-I47 VanDerWaalsContact CD1-CG2 3.46Å; F24-I47 HydrophobicContact CG-CG2 3.92Å; V40-I47 PolarHBondContact N-O 2.88Å; V40-I47 PolarHBondContact O-N 2.94Å; K42-I47 HydrophobicContact CB-CD1 3.87Å; K42-I47 HydrophobicContact CG-CD1 4.32Å
48Y73.3Confident71.5Confident27 Ų2784.5 Ų84.511%0.10640%0.395CS..EExtended strand (participates in β ladder)trans-85.4131.2175.2-68.3-96.1000109.2T23 F24 A25 Q27 I30 P36 L39T23-Y48 VanDerWaalsContact O-O 3.13Å; F24-Y48 WeakPolarHBondContact CA-O 3.43Å; A25-Y48 PolarHBondContact N-O 3.31Å; A25-Y48 VanDerWaalsContact N-O 3.16Å; A25-Y48 PolarHBondContact O-N 3.37Å; A25-Y48 VanDerWaalsContact O-N 3.16Å; Q27-Y48 HydrophobicContact CB-CD2 4.1Å; Q27-Y48 HydrophobicContact CB-CE2 3.5Å; Q27-Y48 VanDerWaalsContact CB-CE2 3.5Å; Q27-Y48 HydrophobicContact CG-CD2 4.4Å; Q27-Y48 HydrophobicContact CG-CE2 3.58Å; Q27-Y48 PolarHBondContact NE2-OH 3.33Å; Q27-Y48 PolarHBondContact OE1-OH 2.98Å; I30-Y48 HydrophobicContact CD1-CD1 4.12Å; I30-Y48 HydrophobicContact CD1-CD2 4.3Å; I30-Y48 HydrophobicContact CD1-CE1 4.48Å; I30-Y48 HydrophobicContact CD1-CG 4.01Å; P36-Y48 HydrophobicContact CB-CD1 3.62Å; P36-Y48 HydrophobicContact CB-CG 4.26Å; P36-Y48 HydrophobicContact CG-CD1 3.7Å; P36-Y48 HydrophobicContact CG-CE1 4.31Å; L39-Y48 HydrophobicContact CD1-CD1 3.72Å; L39-Y48 HydrophobicContact CD1-CD2 3.79Å; L39-Y48 HydrophobicContact CD1-CE1 3.58Å; L39-Y48 HydrophobicContact CD1-CE2 3.58Å; L39-Y48 HydrophobicContact CD1-CG 3.85Å; L39-Y48 VanDerWaalsContact CD1-CZ 3.5Å; L39-Y48 HydrophobicContact CD2-CE1 4.37Å; L39-Y48 HydrophobicContact CG-CE1 4.41Å
49I73.4Confident71.3Confident1 Ų185.1 Ų85.11%0.00541%0.408CS..EExtended strand (participates in β ladder)trans-101.7116.8174.3-70.1171.6000108.8V11 V22 F24 K37 Y38 V40 V51V11-I49 HydrophobicContact CB-CD1 3.84Å; V11-I49 HydrophobicContact CG1-CD1 4Å; V11-I49 HydrophobicContact CG2-CD1 3.66Å; V22-I49 HydrophobicContact CB-CG2 4.47Å; V22-I49 HydrophobicContact CG1-CB 4.46Å; V22-I49 HydrophobicContact CG1-CG1 4.16Å; V22-I49 HydrophobicContact CG1-CG2 3.72Å; V22-I49 HydrophobicContact CG2-CG2 4.19Å; F24-I49 HydrophobicContact CD1-CD1 4.29Å; F24-I49 HydrophobicContact CD1-CG1 3.69Å; F24-I49 HydrophobicContact CE1-CD1 3.68Å; F24-I49 HydrophobicContact CE1-CG1 3.57Å; K37-I49 PolarHBondContact N-O 3.32Å; Y38-I49 HydrophobicContact CD2-CG2 4.16Å; Y38-I49 PolarHBondContact N-O 3.48Å; Y38-I49 PolarHBondContact O-N 3.39Å; V40-I49 HydrophobicContact CB-CD1 4.46Å; V40-I49 HydrophobicContact CG2-CD1 3.38Å; V40-I49 HydrophobicContact CG2-CG1 4.19Å; I49-V51 HydrophobicContact CG2-CG2 3.86Å
50L73.3Confident71.4Confident17 Ų1786.7 Ų86.79%0.08942%0.423CS..EExtended strand (participates in β ladder)trans-93.1127.1168.5-57.8167.9000107.9V21 V22 T23 I30 L34 P36V21-L50 VanDerWaalsContact O-O 3.09Å; V22-L50 WeakPolarHBondContact CA-O 3.44Å; T23-L50 PolarHBondContact N-O 3.45Å; T23-L50 VanDerWaalsContact N-O 3.15Å; T23-L50 PolarHBondContact O-N 3.49Å; T23-L50 VanDerWaalsContact O-N 3.09Å; I30-L50 HydrophobicContact CG2-CD1 4.11Å; I30-L50 HydrophobicContact CG2-CD2 4.48Å; L34-L50 HydrophobicContact CB-CD1 4.09Å; L34-L50 HydrophobicContact CB-CD2 3.82Å; L34-L50 HydrophobicContact CD1-CD1 3.71Å; P36-L50 VanDerWaalsContact CA-CD2 3.43Å; P36-L50 HydrophobicContact CB-CD2 3.96Å
51V70.8Confident71.4Confident25 Ų2590.8 Ų90.815%0.15244%0.444CS..EExtended strand (participates in β ladder)trans-108.2100175.9178.20000108.3M20 V21 K37 Y38 I49 Q53M20-V51 HydrophobicContact CB-CG1 3.88Å; M20-V51 HydrophobicContact CE-CG1 4.23Å; M20-V51 HydrophobicContact CG-CG1 3.73Å; M20-V51 HydrophobicContact SD-CG1 3.44Å; M20-V51 WeakPolarHBondContact SD-CG1 3.4Å; V21-V51 WeakPolarHBondContact O-CA 3.31Å; K37-V51 HydrophobicContact CB-CG2 4.37Å; K37-V51 HydrophobicContact CD-CB 4.28Å; K37-V51 HydrophobicContact CD-CG2 4.47Å; Y38-V51 HydrophobicContact CD2-CG2 4.03Å; Y38-V51 HydrophobicContact CE2-CG2 3.89Å; I49-V51 HydrophobicContact CG2-CG2 3.86Å; V51-Q53 PolarHBondContact O-N 3.04Å
52Q69.3Low71.9Confident98 Ų9891.4 Ų91.446%0.45845%0.45SS..EExtended strand (participates in β ladder)trans-78108.4174.6-174.659.749.500108.8V21V21-Q52 HydrophobicContact CB-CB 4.33Å; V21-Q52 PolarHBondContact N-O 3.03Å; V21-Q52 PolarHBondContact O-N 3.27Å
53Q69Low72.3Confident73 Ų7390.8 Ų90.834%0.34145%0.448SS..  trans-74138.6171-68.8-162.3-10.900110.3M20 V51 K55M20-Q53 HydrophobicContact CE-CG 4.1Å; V51-Q53 PolarHBondContact O-N 3.04Å; Q53-K55 PolarHBondContact O-N 3.5Å
54P61.7Low72.4Confident57 Ų5787 Ų8737%0.3743%0.433SS..  trans-70.292.3175.128.2-33.2000109.5K56 L57 W58P54-K56 PolarHBondContact O-N 3.24Å; P54-L57 HydrophobicContact CB-CB 4.3Å; P54-L57 HydrophobicContact CG-CB 4.29Å; P54-L57 PolarHBondContact O-N 3.09Å; P54-W58 PolarHBondContact O-N 3.22Å
55K69.1Low72.8Confident157 Ų15791.5 Ų91.568%0.68344%0.44SS*.Hα-helixtrans-55.7-34.6-179.9-66.5-174.1179.7179.80112.3Q53 W58 C59Q53-K55 PolarHBondContact O-N 3.5Å; K55-W58 PolarHBondContact O-N 3.33Å; K55-C59 PolarHBondContact O-N 3.16Å; K55-C59 PolarHBondContact O-SG 2.96Å; K55-C59 VanDerWaalsContact O-SG 3.33Å
56K67.8Low72.9Confident194 Ų19491.8 Ų91.884%0.84344%0.435SS*.Hα-helixtrans-61.3-45.5179-74.3-169.5176.3-177.30112.6P54 W58 C59 A60P54-K56 PolarHBondContact O-N 3.24Å; K56-W58 VanDerWaalsContact C-N 3.34Å; K56-C59 PolarHBondContact O-N 3.32Å; K56-A60 PolarHBondContact O-N 3.15Å; K56-A60 VanDerWaalsContact O-N 3.14Å
57L66.1Low73.2Confident106 Ų10691.5 Ų91.556%0.55544%0.439SS*.Hα-helixtrans-66-40.2178-175.763.8000110.9P54 A60 I61P54-L57 HydrophobicContact CB-CB 4.3Å; P54-L57 HydrophobicContact CG-CB 4.29Å; P54-L57 PolarHBondContact O-N 3.09Å; L57-A60 PolarHBondContact O-N 3.25Å; L57-I61 HydrophobicContact CD1-CD1 4.16Å; L57-I61 HydrophobicContact CD1-CG1 4.46Å; L57-I61 HydrophobicContact CD2-CD1 4.48Å; L57-I61 HydrophobicContact CG-CD1 3.85Å; L57-I61 VanDerWaalsContact O-CG1 3.31Å; L57-I61 WeakPolarHBondContact O-CG1 3.37Å; L57-I61 PolarHBondContact O-N 3.4Å
58W67.8Low73.7Confident165 Ų16595.7 Ų95.763%0.62546%0.461SS*.Hα-helixtrans-63.6-44.6177.7-169.7-82.5000112.7P54 K55 K56 A60 I61 K62P54-W58 PolarHBondContact O-N 3.22Å; K55-W58 PolarHBondContact O-N 3.33Å; K56-W58 VanDerWaalsContact C-N 3.34Å; W58-A60 VanDerWaalsContact C-N 3.34Å; W58-A60 PolarHBondContact O-N 3.16Å; W58-I61 PolarHBondContact O-N 2.98Å; W58-K62 VanDerWaalsContact O-CB 3.27Å; W58-K62 WeakPolarHBondContact O-CB 3.48Å; W58-K62 PolarHBondContact O-N 3.49Å
59C71.4Confident73.7Confident81 Ų81100.5 Ų100.555%0.54749%0.487SS..Hα-helixtrans-61.1-42.8176.5-69.60000111.6K55 K56 K62 Q63K55-C59 PolarHBondContact O-N 3.16Å; K55-C59 PolarHBondContact O-SG 2.96Å; K55-C59 VanDerWaalsContact O-SG 3.33Å; K56-C59 PolarHBondContact O-N 3.32Å; C59-K62 PolarHBondContact O-N 2.92Å; C59-Q63 WeakPolarHBondContact O-CB 3.29Å; C59-Q63 PolarHBondContact O-N 3.48Å
60A73.5Confident72.9Confident49 Ų49109.1 Ų109.141%0.40553%0.527SS..Hα-helixtrans-61.9-48.3176.900000112.1K56 L57 W58 K62 Q63 I64K56-A60 PolarHBondContact O-N 3.15Å; K56-A60 VanDerWaalsContact O-N 3.14Å; L57-A60 PolarHBondContact O-N 3.25Å; W58-A60 VanDerWaalsContact C-N 3.34Å; W58-A60 PolarHBondContact O-N 3.16Å; A60-K62 VanDerWaalsContact C-N 3.34Å; A60-K62 PolarHBondContact O-N 2.83Å; A60-Q63 PolarHBondContact O-N 2.96Å; A60-I64 WeakPolarHBondContact O-CG1 3.48Å; A60-I64 PolarHBondContact O-N 3.48Å
61I76.1Confident72.9Confident96 Ų96113.8 Ų113.849%0.49255%0.549SS..Hα-helixtrans-62.1-42.5177.3-67.2168.6000111L57 W58 Q63 I64 K65L57-I61 HydrophobicContact CD1-CD1 4.16Å; L57-I61 HydrophobicContact CD1-CG1 4.46Å; L57-I61 HydrophobicContact CD2-CD1 4.48Å; L57-I61 HydrophobicContact CG-CD1 3.85Å; L57-I61 VanDerWaalsContact O-CG1 3.31Å; L57-I61 WeakPolarHBondContact O-CG1 3.37Å; L57-I61 PolarHBondContact O-N 3.4Å; W58-I61 PolarHBondContact O-N 2.98Å; I61-Q63 VanDerWaalsContact C-N 3.34Å; I61-Q63 PolarHBondContact O-N 3.36Å; I61-I64 PolarHBondContact O-N 2.91Å; I61-K65 WeakPolarHBondContact O-CB 3.44Å; I61-K65 PolarHBondContact O-N 2.84Å
62K82.5Confident73Confident145 Ų145118.4 Ų118.463%0.6357%0.57SS**Hα-helixtrans-62.5-40.9177.9-171-179.6-179.8-175.50111.5W58 C59 A60 K65 R66W58-K62 VanDerWaalsContact O-CB 3.27Å; W58-K62 WeakPolarHBondContact O-CB 3.48Å; W58-K62 PolarHBondContact O-N 3.49Å; C59-K62 PolarHBondContact O-N 2.92Å; A60-K62 VanDerWaalsContact C-N 3.34Å; A60-K62 PolarHBondContact O-N 2.83Å; K62-K65 PolarHBondContact O-N 3.03Å; K62-R66 WeakPolarHBondContact O-CB 3.48Å; K62-R66 PolarHBondContact O-N 2.88Å
63Q80.8Confident73.2Confident97 Ų97119.6 Ų119.645%0.45358%0.576SS.*Hα-helixtrans-64.5-45.3177.4-167.168.729.300111.5C59 A60 I61 K65 R66 N67C59-Q63 WeakPolarHBondContact O-CB 3.29Å; C59-Q63 PolarHBondContact O-N 3.48Å; A60-Q63 PolarHBondContact O-N 2.96Å; I61-Q63 VanDerWaalsContact C-N 3.34Å; I61-Q63 PolarHBondContact O-N 3.36Å; Q63-K65 PolarHBondContact O-N 2.96Å; Q63-R66 PolarHBondContact O-N 3.14Å; Q63-N67 PolarHBondContact O-N 2.83Å
64I81Confident73.4Confident102 Ų102122.3 Ų122.352%0.52359%0.59SS.*Hα-helixtrans-61.1-45.9177-66.4163.9000110.4A60 I61 R66 N67 I68A60-I64 WeakPolarHBondContact O-CG1 3.48Å; A60-I64 PolarHBondContact O-N 3.48Å; I61-I64 PolarHBondContact O-N 2.91Å; I64-R66 VanDerWaalsContact C-N 3.29Å; I64-R66 PolarHBondContact O-N 2.85Å; I64-N67 PolarHBondContact O-N 2.76Å; I64-I68 HydrophobicContact CG2-CD1 4.04Å; I64-I68 WeakPolarHBondContact O-CG1 3.41Å; I64-I68 PolarHBondContact O-N 3.1Å
65K82.2Confident74.2Confident139 Ų139126.4 Ų126.460%0.60460%0.604SS**Hα-helixtrans-63.5-36.4179.4-162.7177.7-175.2-170.90112I61 K62 Q63 I68 I69I61-K65 WeakPolarHBondContact O-CB 3.44Å; I61-K65 PolarHBondContact O-N 2.84Å; K62-K65 PolarHBondContact O-N 3.03Å; Q63-K65 PolarHBondContact O-N 2.96Å; K65-I68 PolarHBondContact O-N 2.97Å; K65-I69 HydrophobicContact CD-CD1 4.48Å; K65-I69 HydrophobicContact CG-CD1 3.79Å; K65-I69 WeakPolarHBondContact O-CD1 3.33Å; K65-I69 VanDerWaalsContact O-CG1 3.25Å; K65-I69 WeakPolarHBondContact O-CG1 3.11Å; K65-I69 PolarHBondContact O-N 3.36Å
66R77.7Confident74.5Confident139 Ų139124.3 Ų124.353%0.52560%0.598SS.*Hα-helixtrans-66.8-42.7176.2-170.5179162.1-155.2-11.3111.8K62 Q63 I64 I68 I69 E70K62-R66 WeakPolarHBondContact O-CB 3.48Å; K62-R66 PolarHBondContact O-N 2.88Å; Q63-R66 PolarHBondContact O-N 3.14Å; I64-R66 VanDerWaalsContact C-N 3.29Å; I64-R66 PolarHBondContact O-N 2.85Å; R66-I68 PolarHBondContact O-N 3.28Å; R66-I69 PolarHBondContact O-N 3.48Å; R66-E70 HydrophobicContact CG-CG 4.3Å; R66-E70 WeakPolarHBondContact CG-OE2 3.41Å; R66-E70 IonicContact CZ-OE2 2.73Å; R66-E70 IonicContact NE-OE2 3.66Å; R66-E70 PolarHBondContact NE-OE2 3.3Å; R66-E70 IonicContact NH2-OE2 3.6Å; R66-E70 PolarHBondContact NH2-OE2 3.14Å; R66-E70 PolarHBondContact O-N 3.4Å
67N79.3Confident75Confident109 Ų109119.4 Ų119.458%0.58358%0.581SS**Hα-helixtrans-67.5-10.7177-72.10.6000114.8Q63 I64Q63-N67 PolarHBondContact O-N 2.83Å; I64-N67 PolarHBondContact O-N 2.76Å
68I81Confident75.7Confident133 Ų133120.4 Ų120.468%0.68258%0.583SS**Hα-helixtrans-97-26.3177-66.7167.2000111.2I64 K65 R66I64-I68 HydrophobicContact CG2-CD1 4.04Å; I64-I68 WeakPolarHBondContact O-CG1 3.41Å; I64-I68 PolarHBondContact O-N 3.1Å; K65-I68 PolarHBondContact O-N 2.97Å; R66-I68 PolarHBondContact O-N 3.28Å
69I73.2Confident76.3Confident127 Ų127116.7 Ų116.765%0.65158%0.579SS**Hα-helixtrans-100.7-21.8-173.3-53.3165.2000111.3K65 R66K65-I69 HydrophobicContact CD-CD1 4.48Å; K65-I69 HydrophobicContact CG-CD1 3.79Å; K65-I69 WeakPolarHBondContact O-CD1 3.33Å; K65-I69 VanDerWaalsContact O-CG1 3.25Å; K65-I69 WeakPolarHBondContact O-CG1 3.11Å; K65-I69 PolarHBondContact O-N 3.36Å; R66-I69 PolarHBondContact O-N 3.48Å
70E57.4Low76.8Confident183 Ų183119.9 Ų119.986%0.85558%0.582SS**  trans-100.20168-57-161.1108.200110.6R66R66-E70 HydrophobicContact CG-CG 4.3Å; R66-E70 WeakPolarHBondContact CG-OE2 3.41Å; R66-E70 IonicContact CZ-OE2 2.73Å; R66-E70 IonicContact NE-OE2 3.66Å; R66-E70 PolarHBondContact NE-OE2 3.3Å; R66-E70 IonicContact NH2-OE2 3.6Å; R66-E70 PolarHBondContact NH2-OE2 3.14Å; R66-E70 PolarHBondContact O-N 3.4Å

Retrieved 70 of 70 residues in 23.5 ms (Link to these results)