A0A087WS47_MOUSE Loading...

Predicted gene 8369

AlphaFold DB , UniProt , Accession A0A087WS47, Species MOUSE (Mus musculus, Mouse), Gene Gm8369, Length 80 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
1M40.6Very low54.1Low239 Ų239123.7 Ų123.7100%1.17767%0.665SS**  083.4025.6-174.4169.500107N3M1-N3 PolarHBondContact O-N 3.16Å; M1-N3 VanDerWaalsContact O-N 3.16Å
2I48Very low54.3Low145 Ų145118.4 Ų118.474%0.74465%0.645SS**  trans-74.7101.2179.644.2145.2000108M4I2-M4 HydrophobicContact CD1-CE 3.63Å; I2-M4 HydrophobicContact CD1-CG 4.48Å; I2-M4 PolarHBondContact O-N 3.46Å; I2-M4 VanDerWaalsContact O-N 3.13Å
3N45.8Very low54.5Low159 Ų159116.8 Ų116.885%0.8564%0.641SS**  trans-69.3104.5170.6-133.8-63.2000106.5M1 D5M1-N3 PolarHBondContact O-N 3.16Å; M1-N3 VanDerWaalsContact O-N 3.16Å; N3-D5 VanDerWaalsContact C-N 3.32Å; N3-D5 PolarHBondContact O-N 3.38Å; N3-D5 VanDerWaalsContact O-N 3.11Å
4M53.9Low54.9Low136 Ų136117.4 Ų117.467%0.6764%0.641SS**  trans-75.194.9168.3-64-166.8-176.900106.1I2 L6I2-M4 HydrophobicContact CD1-CE 3.63Å; I2-M4 HydrophobicContact CD1-CG 4.48Å; I2-M4 PolarHBondContact O-N 3.46Å; I2-M4 VanDerWaalsContact O-N 3.13Å; M4-L6 VanDerWaalsContact C-N 3.33Å; M4-L6 PolarHBondContact O-N 3.47Å
5D50.6Low55.2Low125 Ų125115.7 Ų115.767%0.66863%0.63SS**  trans-52.4101.1163.5-166.4-97.4000107.4N3 D7N3-D5 VanDerWaalsContact C-N 3.32Å; N3-D5 PolarHBondContact O-N 3.38Å; N3-D5 VanDerWaalsContact O-N 3.11Å; D5-D7 PolarHBondContact O-N 3.26Å
6L57Low55.4Low110 Ų110115.3 Ų115.358%0.57663%0.626SS**  trans-88.68.5-167.6176.356000111.1M4 F11M4-L6 VanDerWaalsContact C-N 3.33Å; M4-L6 PolarHBondContact O-N 3.47Å; L6-F11 HydrophobicContact CD1-CD1 4.22Å; L6-F11 HydrophobicContact CD1-CD2 3.53Å; L6-F11 HydrophobicContact CD1-CE1 3.81Å; L6-F11 HydrophobicContact CD1-CE2 3.05Å; L6-F11 HydrophobicContact CD1-CG 4.11Å; L6-F11 HydrophobicContact CD1-CZ 3.21Å; L6-F11 HydrophobicContact CG-CE2 4.35Å
7D60.6Low55.6Low147 Ų147113.7 Ų113.779%0.78662%0.621SS**SBendtrans-10419.3-161.5-70.7-78000114.7D5D5-D7 PolarHBondContact O-N 3.26Å
8G63.1Low56.1Low30 Ų30112.3 Ų112.331%0.30962%0.619SS.*SBendtrans-146.8169.8-176.400000116.1V10 F11G8-V10 WeakPolarHBondContact O-CG2 3.23Å; G8-V10 PolarHBondContact O-N 3.36Å; G8-F11 PolarHBondContact O-N 3.37Å
9P57Low56.8Low107 Ų107111.7 Ų111.770%0.69561%0.613SS**THydrogen-bonded Turntrans-61.8-0.8-166.528.1-36.6000115.2F11 S12 V13P9-F11 VanDerWaalsContact C-N 3.3Å; P9-F11 PolarHBondContact O-N 3.16Å; P9-S12 WeakPolarHBondContact O-CB 3.48Å; P9-S12 PolarHBondContact O-N 2.92Å; P9-V13 WeakPolarHBondContact O-CG2 3.2Å; P9-V13 PolarHBondContact O-N 3.31Å
10V58.1Low57.5Low76 Ų76113.1 Ų113.146%0.46161%0.609SS.*Hα-helixtrans-60.1-35.8176.5-62.60000112.3G8 S12 V13 I14G8-V10 WeakPolarHBondContact O-CG2 3.23Å; G8-V10 PolarHBondContact O-N 3.36Å; V10-S12 VanDerWaalsContact C-N 3.34Å; V10-S12 PolarHBondContact O-N 3.47Å; V10-V13 PolarHBondContact O-N 2.97Å; V10-I14 HydrophobicContact CB-CD1 4.2Å; V10-I14 WeakPolarHBondContact O-CB 3.28Å; V10-I14 WeakPolarHBondContact O-CD1 3.3Å; V10-I14 WeakPolarHBondContact O-CG1 3.11Å; V10-I14 PolarHBondContact O-N 2.78Å
11F60Low58.4Low87 Ų87110 Ų11038%0.38260%0.604SS.*Hα-helixtrans-64-38.4175.9-95.5-97.1000112.8L6 G8 P9 L15L6-F11 HydrophobicContact CD1-CD1 4.22Å; L6-F11 HydrophobicContact CD1-CD2 3.53Å; L6-F11 HydrophobicContact CD1-CE1 3.81Å; L6-F11 HydrophobicContact CD1-CE2 3.05Å; L6-F11 HydrophobicContact CD1-CG 4.11Å; L6-F11 HydrophobicContact CD1-CZ 3.21Å; L6-F11 HydrophobicContact CG-CE2 4.35Å; G8-F11 PolarHBondContact O-N 3.37Å; P9-F11 VanDerWaalsContact C-N 3.3Å; P9-F11 PolarHBondContact O-N 3.16Å; F11-L15 HydrophobicContact CD1-CD1 3.57Å; F11-L15 HydrophobicContact CD1-CG 4.48Å; F11-L15 HydrophobicContact CE1-CD1 3.92Å; F11-L15 WeakPolarHBondContact O-CB 3.21Å; F11-L15 PolarHBondContact O-N 3.46Å
12S56.4Low60.2Low60 Ų60102.1 Ų102.142%0.4257%0.57SS.*Hα-helixtrans-67.5-42.8179-172.80000111.8P9 V10 L16 V17P9-S12 WeakPolarHBondContact O-CB 3.48Å; P9-S12 PolarHBondContact O-N 2.92Å; V10-S12 VanDerWaalsContact C-N 3.34Å; V10-S12 PolarHBondContact O-N 3.47Å; S12-L16 PolarHBondContact O-N 3.42Å; S12-V17 WeakPolarHBondContact O-CG2 3.25Å; S12-V17 PolarHBondContact O-N 2.91Å; S12-V17 WeakPolarHBondContact OG-CG2 3.4Å
13V57Low61.6Low98 Ų9899.3 Ų99.359%0.59456%0.556SS**Hα-helixtrans-68.4-37.2178.6179.40000111.8P9 V10P9-V13 WeakPolarHBondContact O-CG2 3.2Å; P9-V13 PolarHBondContact O-N 3.31Å; V10-V13 PolarHBondContact O-N 2.97Å
14I60.3Low63.1Low125 Ų12597 Ų9764%0.64154%0.541SS*.Hα-helixtrans-83.8-37.1-175.5-59.9162.6000112V10V10-I14 HydrophobicContact CB-CD1 4.2Å; V10-I14 WeakPolarHBondContact O-CB 3.28Å; V10-I14 WeakPolarHBondContact O-CD1 3.3Å; V10-I14 WeakPolarHBondContact O-CG1 3.11Å; V10-I14 PolarHBondContact O-N 2.78Å
15L60.1Low64.3Low92 Ų9298.4 Ų98.448%0.48254%0.544SS..Hα-helixtrans-104.7-30.2-169-62.3-178.8000115.3F11F11-L15 HydrophobicContact CD1-CD1 3.57Å; F11-L15 HydrophobicContact CD1-CG 4.48Å; F11-L15 HydrophobicContact CE1-CD1 3.92Å; F11-L15 WeakPolarHBondContact O-CB 3.21Å; F11-L15 PolarHBondContact O-N 3.46Å
16L57Low65.7Low108 Ų10898 Ų9857%0.56554%0.54SS*.THydrogen-bonded Turntrans-139.8-25-157.6-67169000116.5S12 W20S12-L16 PolarHBondContact O-N 3.42Å; L16-W20 WeakPolarHBondContact O-CB 3.2Å; L16-W20 PolarHBondContact O-N 3.2Å
17V60Low66.7Low89 Ų8996.3 Ų96.354%0.53954%0.535SS..Hα-helixtrans-74.9-47.2-178169.80000114.4S12 I19 W20S12-V17 WeakPolarHBondContact O-CG2 3.25Å; S12-V17 PolarHBondContact O-N 2.91Å; S12-V17 WeakPolarHBondContact OG-CG2 3.4Å; V17-I19 VanDerWaalsContact C-N 3.31Å; V17-I19 PolarHBondContact O-N 3.36Å; V17-W20 PolarHBondContact O-N 3.48Å
18P64Low67.2Low89 Ų8993.1 Ų93.158%0.57852%0.524SS*.Hα-helixtrans-71.3-29.4-174.9-15.129.1000113P22P18-P22 WeakPolarHBondContact O-CD 3.28Å
19I68.8Low67.8Low100 Ų10093.3 Ų93.351%0.51353%0.526SS..Hα-helixtrans-81.8-22.9-177.9-81.1162.2000111.7V17 G21 P22 I23V17-I19 VanDerWaalsContact C-N 3.31Å; V17-I19 PolarHBondContact O-N 3.36Å; I19-G21 PolarHBondContact O-N 3.38Å; I19-P22 VanDerWaalsContact O-CD 3.32Å; I19-P22 WeakPolarHBondContact O-CD 3.46Å; I19-P22 WeakPolarHBondContact O-CG 3.28Å; I19-I23 HydrophobicContact CG2-CD1 3.37Å; I19-I23 HydrophobicContact CG2-CG1 4.22Å; I19-I23 WeakPolarHBondContact O-CD1 3.45Å; I19-I23 VanDerWaalsContact O-CG1 3.3Å; I19-I23 WeakPolarHBondContact O-CG1 3.22Å; I19-I23 PolarHBondContact O-N 3.35Å
20W71.3Confident68.5Low140 Ų14091.4 Ų91.453%0.5352%0.515SS..Hα-helixtrans-66.7-36-179.1-121.280.9000113.8L16 V17 I23 M24L16-W20 WeakPolarHBondContact O-CB 3.2Å; L16-W20 PolarHBondContact O-N 3.2Å; V17-W20 PolarHBondContact O-N 3.48Å; W20-I23 PolarHBondContact O-N 3.27Å; W20-M24 HydrophobicContact CD2-CG 4.31Å; W20-M24 HydrophobicContact CE3-CE 3.95Å; W20-M24 HydrophobicContact CE3-CG 3.33Å; W20-M24 HydrophobicContact CE3-SD 3.78Å; W20-M24 HydrophobicContact CH2-CG 4.4Å; W20-M24 HydrophobicContact CH2-SD 4.13Å; W20-M24 HydrophobicContact CZ3-CE 3.65Å; W20-M24 HydrophobicContact CZ3-CG 3.42Å; W20-M24 VanDerWaalsContact CZ3-CG 3.42Å; W20-M24 HydrophobicContact CZ3-SD 3.23Å; W20-M24 WeakPolarHBondContact CZ3-SD 3.31Å; W20-M24 WeakPolarHBondContact O-CB 3.3Å; W20-M24 VanDerWaalsContact O-CG 3.3Å; W20-M24 WeakPolarHBondContact O-CG 3.43Å; W20-M24 PolarHBondContact O-N 3.2Å
21G76.8Confident68.8Low48 Ų4890.6 Ų90.650%0.49551%0.508SS..Hα-helixtrans-55.6-57.8177.700000113.8I19 I23 M24 F25I19-G21 PolarHBondContact O-N 3.38Å; G21-I23 PolarHBondContact O-N 2.9Å; G21-M24 PolarHBondContact O-N 2.96Å; G21-F25 PolarHBondContact O-N 3.38Å; G21-F25 VanDerWaalsContact O-N 3.16Å
22P78.9Confident69.2Low74 Ų7490.5 Ų90.548%0.48152%0.518SS..Hα-helixtrans-67.5-32.5178.621-29.5000113.4P18 I19 F25 I26P18-P22 WeakPolarHBondContact O-CD 3.28Å; I19-P22 VanDerWaalsContact O-CD 3.32Å; I19-P22 WeakPolarHBondContact O-CD 3.46Å; I19-P22 WeakPolarHBondContact O-CG 3.28Å; P22-F25 WeakPolarHBondContact O-CB 3.23Å; P22-F25 PolarHBondContact O-N 2.88Å; P22-I26 WeakPolarHBondContact O-CG1 3.3Å; P22-I26 PolarHBondContact O-N 3.17Å
23I77.8Confident69.8Low85 Ų8594.2 Ų94.244%0.43653%0.532SS..Hα-helixtrans-61.9-47.7175-72172.5000110.8I19 W20 G21 F25 I26 V27I19-I23 HydrophobicContact CG2-CD1 3.37Å; I19-I23 HydrophobicContact CG2-CG1 4.22Å; I19-I23 WeakPolarHBondContact O-CD1 3.45Å; I19-I23 VanDerWaalsContact O-CG1 3.3Å; I19-I23 WeakPolarHBondContact O-CG1 3.22Å; I19-I23 PolarHBondContact O-N 3.35Å; W20-I23 PolarHBondContact O-N 3.27Å; G21-I23 PolarHBondContact O-N 2.9Å; I23-F25 VanDerWaalsContact C-N 3.26Å; I23-F25 PolarHBondContact O-N 3.4Å; I23-I26 PolarHBondContact O-N 3.3Å; I23-V27 HydrophobicContact CG2-CG2 4.41Å; I23-V27 VanDerWaalsContact O-CG2 3.31Å; I23-V27 WeakPolarHBondContact O-CG2 3.46Å; I23-V27 PolarHBondContact O-N 3.48Å
24M76.6Confident70Confident111 Ų11191.5 Ų91.555%0.54752%0.519SS..Hα-helixtrans-58.5-38.7175.3-77.3-108.3-89.700112.3W20 G21 V27 S28W20-M24 HydrophobicContact CD2-CG 4.31Å; W20-M24 HydrophobicContact CE3-CE 3.95Å; W20-M24 HydrophobicContact CE3-CG 3.33Å; W20-M24 HydrophobicContact CE3-SD 3.78Å; W20-M24 HydrophobicContact CH2-CG 4.4Å; W20-M24 HydrophobicContact CH2-SD 4.13Å; W20-M24 HydrophobicContact CZ3-CE 3.65Å; W20-M24 HydrophobicContact CZ3-CG 3.42Å; W20-M24 VanDerWaalsContact CZ3-CG 3.42Å; W20-M24 HydrophobicContact CZ3-SD 3.23Å; W20-M24 WeakPolarHBondContact CZ3-SD 3.31Å; W20-M24 WeakPolarHBondContact O-CB 3.3Å; W20-M24 VanDerWaalsContact O-CG 3.3Å; W20-M24 WeakPolarHBondContact O-CG 3.43Å; W20-M24 PolarHBondContact O-N 3.2Å; G21-M24 PolarHBondContact O-N 2.96Å; M24-V27 PolarHBondContact O-N 3.16Å; M24-S28 VanDerWaalsContact O-CB 3.25Å; M24-S28 WeakPolarHBondContact O-CB 3.34Å; M24-S28 PolarHBondContact O-N 3.41Å
25F78.2Confident69.9Low166 Ų16688 Ų8873%0.72851%0.509SS*.Hα-helixtrans-64.8-44.9177.8-166.8-96.6000112.3G21 P22 I23 S28 G29G21-F25 PolarHBondContact O-N 3.38Å; G21-F25 VanDerWaalsContact O-N 3.16Å; P22-F25 WeakPolarHBondContact O-CB 3.23Å; P22-F25 PolarHBondContact O-N 2.88Å; I23-F25 VanDerWaalsContact C-N 3.26Å; I23-F25 PolarHBondContact O-N 3.4Å; F25-S28 PolarHBondContact O-N 3.01Å; F25-G29 PolarHBondContact O-N 3Å
26I81.3Confident70Confident115 Ų11586.9 Ų86.959%0.5952%0.52SS*.Hα-helixtrans-66.4-41.6177.1-67.3179.7000111.2P22 I23 G29 S30P22-I26 WeakPolarHBondContact O-CG1 3.3Å; P22-I26 PolarHBondContact O-N 3.17Å; I23-I26 PolarHBondContact O-N 3.3Å; I26-G29 PolarHBondContact O-N 3.27Å; I26-S30 VanDerWaalsContact O-CB 3.3Å; I26-S30 WeakPolarHBondContact O-CB 3.32Å; I26-S30 PolarHBondContact O-N 3.49Å; I26-S30 PolarHBondContact O-OG 2.97Å
27V76.8Confident70Confident76 Ų7687.3 Ų87.346%0.46153%0.527SS..Hα-helixtrans-63.5-43.5176.8173.30000110.5I23 M24 S30 L31I23-V27 HydrophobicContact CG2-CG2 4.41Å; I23-V27 VanDerWaalsContact O-CG2 3.31Å; I23-V27 WeakPolarHBondContact O-CG2 3.46Å; I23-V27 PolarHBondContact O-N 3.48Å; M24-V27 PolarHBondContact O-N 3.16Å; V27-S30 PolarHBondContact O-N 2.95Å; V27-L31 HydrophobicContact CG1-CD1 4.21Å; V27-L31 WeakPolarHBondContact O-CB 3.38Å; V27-L31 PolarHBondContact O-N 2.88Å
28S72.1Confident69.9Low80 Ų8090.2 Ų90.256%0.55953%0.533SS*.Hα-helixtrans-61.7-46.7176.8-178.20000112.2M24 F25 S30 L31 S32M24-S28 VanDerWaalsContact O-CB 3.25Å; M24-S28 WeakPolarHBondContact O-CB 3.34Å; M24-S28 PolarHBondContact O-N 3.41Å; F25-S28 PolarHBondContact O-N 3.01Å; S28-S30 PolarHBondContact O-N 3.35Å; S28-L31 PolarHBondContact O-N 3.45Å; S28-S32 WeakPolarHBondContact O-CB 3.35Å; S28-S32 PolarHBondContact O-N 3.39Å
29G74.8Confident69.6Low34 Ų3488.8 Ų88.835%0.35152%0.522SS..Hα-helixtrans-63.4-40.417600000113.1F25 I26 S32 I33F25-G29 PolarHBondContact O-N 3Å; I26-G29 PolarHBondContact O-N 3.27Å; G29-S32 PolarHBondContact O-N 3.26Å; G29-I33 PolarHBondContact O-N 2.72Å
30S72.3Confident69.1Low66 Ų6689.4 Ų89.446%0.46253%0.531SS..Hα-helixtrans-67.5-39.9177.8-55.90000112I26 V27 S28 I33 A34I26-S30 VanDerWaalsContact O-CB 3.3Å; I26-S30 WeakPolarHBondContact O-CB 3.32Å; I26-S30 PolarHBondContact O-N 3.49Å; I26-S30 PolarHBondContact O-OG 2.97Å; V27-S30 PolarHBondContact O-N 2.95Å; S28-S30 PolarHBondContact O-N 3.35Å; S30-I33 PolarHBondContact O-N 3.27Å; S30-A34 VanDerWaalsContact O-CB 3.28Å; S30-A34 WeakPolarHBondContact O-CB 3.25Å; S30-A34 PolarHBondContact O-N 2.95Å
31L64.7Low68.4Low59 Ų5990.2 Ų90.231%0.30954%0.538SS..Hα-helixtrans-66.5-38.4174.8-107.765.9000112V27 S28 I33 A34 A35V27-L31 HydrophobicContact CG1-CD1 4.21Å; V27-L31 WeakPolarHBondContact O-CB 3.38Å; V27-L31 PolarHBondContact O-N 2.88Å; S28-L31 PolarHBondContact O-N 3.45Å; L31-I33 VanDerWaalsContact C-N 3.32Å; L31-I33 PolarHBondContact O-N 3.08Å; L31-A34 PolarHBondContact O-N 2.81Å; L31-A35 WeakPolarHBondContact O-CB 3.39Å; L31-A35 PolarHBondContact O-N 2.93Å
32S68.9Low67.7Low86 Ų8690.2 Ų90.260%0.60153%0.531SS*.Hα-helixtrans-60-43.3176.4-177.80000111.6S28 G29S28-S32 WeakPolarHBondContact O-CB 3.35Å; S28-S32 PolarHBondContact O-N 3.39Å; G29-S32 PolarHBondContact O-N 3.26Å
33I68.4Low66.9Low137 Ų13788.7 Ų88.770%0.70352%0.518SS*.Hα-helixtrans-71.3-40.4176.1-75.2153.5000111.8G29 S30 L31 A35 G36G29-I33 PolarHBondContact O-N 2.72Å; S30-I33 PolarHBondContact O-N 3.27Å; L31-I33 VanDerWaalsContact C-N 3.32Å; L31-I33 PolarHBondContact O-N 3.08Å; I33-A35 VanDerWaalsContact C-N 3.32Å; I33-A35 PolarHBondContact O-N 3.13Å; I33-G36 PolarHBondContact O-N 3.34Å
34A60.5Low66.6Low41 Ų4189.2 Ų89.234%0.33953%0.525SS..Hα-helixtrans-70.7-26.4178.300000113.4S30 L31 G36 V37 K38S30-A34 VanDerWaalsContact O-CB 3.28Å; S30-A34 WeakPolarHBondContact O-CB 3.25Å; S30-A34 PolarHBondContact O-N 2.95Å; L31-A34 PolarHBondContact O-N 2.81Å; A34-G36 PolarHBondContact O-N 3.02Å; A34-V37 WeakPolarHBondContact O-CG2 3.27Å; A34-V37 PolarHBondContact O-N 3.28Å; A34-V37 VanDerWaalsContact O-N 3.16Å; A34-K38 PolarHBondContact O-N 2.81Å
35A58.8Low66.3Low51 Ų5189.1 Ų89.142%0.42153%0.526SS..Hα-helixtrans-66.2-24.6173.900000112.2L31 I33 V37 T39L31-A35 WeakPolarHBondContact O-CB 3.39Å; L31-A35 PolarHBondContact O-N 2.93Å; I33-A35 VanDerWaalsContact C-N 3.32Å; I33-A35 PolarHBondContact O-N 3.13Å; A35-V37 VanDerWaalsContact C-N 3.25Å; A35-V37 PolarHBondContact O-N 3.01Å; A35-T39 HydrophobicContact CB-CG2 3.82Å; A35-T39 VanDerWaalsContact O-CG2 3.23Å; A35-T39 WeakPolarHBondContact O-CG2 3.32Å
36G61.9Low65.9Low70 Ų7083.1 Ų83.172%0.72250%0.504SS*.THydrogen-bonded Turntrans-69-17.7172.600000114.5I33 A34I33-G36 PolarHBondContact O-N 3.34Å; A34-G36 PolarHBondContact O-N 3.02Å
37V58.2Low65.2Low117 Ų11780.7 Ų80.771%0.70950%0.498SS*.THydrogen-bonded Turntrans-115.7-29.8-169-620000115.9A34 A35A34-V37 WeakPolarHBondContact O-CG2 3.27Å; A34-V37 PolarHBondContact O-N 3.28Å; A34-V37 VanDerWaalsContact O-N 3.16Å; A35-V37 VanDerWaalsContact C-N 3.25Å; A35-V37 PolarHBondContact O-N 3.01Å
38K57.5Low65.1Low150 Ų15082.5 Ų82.565%0.65250%0.504SS*.  trans175.998.7171.442.8-169.6-65-64.30113.2A34A34-K38 PolarHBondContact O-N 2.81Å
39T56.7Low64.9Low58 Ų5882.1 Ų82.136%0.35650%0.499SS..  trans-78.3-28.2-167.142.10000117A35 K41 L43A35-T39 HydrophobicContact CB-CG2 3.82Å; A35-T39 VanDerWaalsContact O-CG2 3.23Å; A35-T39 WeakPolarHBondContact O-CG2 3.32Å; T39-K41 PolarHBondContact O-N 3.36Å; T39-L43 HydrophobicContact CG2-CD1 4.11Å; T39-L43 WeakPolarHBondContact O-CB 3.4Å; T39-L43 WeakPolarHBondContact O-CD1 3.3Å; T39-L43 VanDerWaalsContact O-CG 3.22Å; T39-L43 WeakPolarHBondContact O-CG 3.47Å; T39-L43 PolarHBondContact O-N 3.42Å
40T59.7Low64.5Low113 Ų11383.4 Ų83.469%0.69350%0.499SS*.Hα-helixtrans-67.9-34-161.5-37.50000115.2V44T40-V44 VanDerWaalsContact O-CG2 3.28Å; T40-V44 WeakPolarHBondContact O-CG2 3.38Å
41K56.5Low64.4Low157 Ų15784.9 Ų84.968%0.68350%0.502SS*.Hα-helixtrans-87-37.7-176.7-62.1-152.7177.6-164.40113.4T39 L43 I45T39-K41 PolarHBondContact O-N 3.36Å; K41-L43 VanDerWaalsContact C-N 3.34Å; K41-I45 WeakPolarHBondContact O-CD1 3.22Å; K41-I45 VanDerWaalsContact O-CG1 3.25Å; K41-I45 WeakPolarHBondContact O-CG1 3.42Å; K41-I45 PolarHBondContact O-N 3.03Å; K41-I45 VanDerWaalsContact O-N 3.13Å
42S61.9Low64.7Low49 Ų4985.4 Ų85.434%0.34351%0.508SS..Hα-helixtrans-67.5-37.7-178.8176.60000111.7I45 S46S42-I45 PolarHBondContact O-N 3.47Å; S42-S46 VanDerWaalsContact O-CB 3.3Å; S42-S46 WeakPolarHBondContact O-CB 3.41Å; S42-S46 PolarHBondContact O-N 3.42Å
43L62.3Low64.9Low41 Ų4186.4 Ų86.422%0.21551%0.505CS..Hα-helixtrans-69.2-41.8179.7-68.6166.6000112.5T39 K41 S46 S47 F77T39-L43 HydrophobicContact CG2-CD1 4.11Å; T39-L43 WeakPolarHBondContact O-CB 3.4Å; T39-L43 WeakPolarHBondContact O-CD1 3.3Å; T39-L43 VanDerWaalsContact O-CG 3.22Å; T39-L43 WeakPolarHBondContact O-CG 3.47Å; T39-L43 PolarHBondContact O-N 3.42Å; K41-L43 VanDerWaalsContact C-N 3.34Å; L43-S46 PolarHBondContact O-N 3.42Å; L43-S47 PolarHBondContact O-N 3.25Å; L43-S47 PolarHBondContact O-OG 3.48Å; L43-F77 HydrophobicContact CB-CE2 3.5Å; L43-F77 VanDerWaalsContact CB-CE2 3.5Å; L43-F77 HydrophobicContact CB-CZ 3.43Å; L43-F77 VanDerWaalsContact CB-CZ 3.43Å; L43-F77 HydrophobicContact CD1-CE1 4.13Å; L43-F77 HydrophobicContact CD1-CE2 4.12Å; L43-F77 HydrophobicContact CD1-CZ 3.4Å; L43-F77 VanDerWaalsContact CD1-CZ 3.4Å; L43-F77 HydrophobicContact CD2-CD2 3.93Å; L43-F77 HydrophobicContact CD2-CE1 4.19Å; L43-F77 HydrophobicContact CD2-CE2 3.01Å; L43-F77 HydrophobicContact CD2-CZ 3.21Å; L43-F77 HydrophobicContact CG-CE2 3.6Å; L43-F77 HydrophobicContact CG-CZ 3.42Å; L43-F77 VanDerWaalsContact CG-CZ 3.42Å
44V69.6Low64.7Low97 Ų9783.6 Ų83.659%0.58850%0.495SS*.Hα-helixtrans-63.6-42.3175.2173.10000111.1T40 L48T40-V44 VanDerWaalsContact O-CG2 3.28Å; T40-V44 WeakPolarHBondContact O-CG2 3.38Å; V44-L48 WeakPolarHBondContact O-CB 3.46Å; V44-L48 PolarHBondContact O-N 3.04Å; V44-L48 VanDerWaalsContact O-N 3.08Å
45I71.5Confident64.9Low109 Ų10984 Ų8456%0.55950%0.495SS*.Hα-helixtrans-64.9-46.4177.5-69.3163.4000110.3K41 S42 L48 T49K41-I45 WeakPolarHBondContact O-CD1 3.22Å; K41-I45 VanDerWaalsContact O-CG1 3.25Å; K41-I45 WeakPolarHBondContact O-CG1 3.42Å; K41-I45 PolarHBondContact O-N 3.03Å; K41-I45 VanDerWaalsContact O-N 3.13Å; S42-I45 PolarHBondContact O-N 3.47Å; I45-L48 PolarHBondContact O-N 3.01Å; I45-T49 PolarHBondContact O-N 2.91Å; I45-T49 PolarHBondContact O-OG1 3.39Å
46S68.7Low65Low40 Ų4086.5 Ų86.528%0.2851%0.505SS..Hα-helixtrans-58.9-50.7179.9-175.60000111.7S42 L43 L48 T49 V50S42-S46 VanDerWaalsContact O-CB 3.3Å; S42-S46 WeakPolarHBondContact O-CB 3.41Å; S42-S46 PolarHBondContact O-N 3.42Å; L43-S46 PolarHBondContact O-N 3.42Å; S46-L48 VanDerWaalsContact C-N 3.33Å; S46-L48 PolarHBondContact O-N 3.39Å; S46-T49 WeakPolarHBondContact CA-OG1 3.4Å; S46-T49 PolarHBondContact O-N 3.31Å; S46-T49 PolarHBondContact O-OG1 2.91Å; S46-V50 WeakPolarHBondContact O-CG2 3.44Å; S46-V50 PolarHBondContact O-N 2.9Å
47S68.1Low64.9Low64 Ų6489.6 Ų89.645%0.44851%0.505SS..Hα-helixtrans-62.1-37.9177.8-61.90000112.9L43 N51L43-S47 PolarHBondContact O-N 3.25Å; L43-S47 PolarHBondContact O-OG 3.48Å; S47-N51 VanDerWaalsContact O-CB 3.27Å; S47-N51 WeakPolarHBondContact O-CB 3.2Å; S47-N51 PolarHBondContact O-N 3.48Å
48L73.4Confident64.5Low114 Ų11485.9 Ų85.960%0.59748%0.484SS*.Hα-helixtrans-65.7-46176.3-176.664.8000111.5V44 I45 S46 N51 T52V44-L48 WeakPolarHBondContact O-CB 3.46Å; V44-L48 PolarHBondContact O-N 3.04Å; V44-L48 VanDerWaalsContact O-N 3.08Å; I45-L48 PolarHBondContact O-N 3.01Å; S46-L48 VanDerWaalsContact C-N 3.33Å; S46-L48 PolarHBondContact O-N 3.39Å; L48-N51 PolarHBondContact O-N 3.31Å; L48-T52 PolarHBondContact O-N 3.21Å; L48-T52 PolarHBondContact O-OG1 3.14Å; L48-T52 VanDerWaalsContact O-OG1 3.14Å
49T68.1Low64.5Low72 Ų7284.8 Ų84.844%0.44249%0.49SS..Hα-helixtrans-62-43.9176.729.50000112.4I45 S46 T52 I53I45-T49 PolarHBondContact O-N 2.91Å; I45-T49 PolarHBondContact O-OG1 3.39Å; S46-T49 WeakPolarHBondContact CA-OG1 3.4Å; S46-T49 PolarHBondContact O-N 3.31Å; S46-T49 PolarHBondContact O-OG1 2.91Å; T49-T52 PolarHBondContact O-N 3.4Å; T49-I53 WeakPolarHBondContact O-CD1 3.35Å; T49-I53 WeakPolarHBondContact O-CG1 3.44Å; T49-I53 PolarHBondContact O-N 3.01Å
50V66.9Low64.4Low61 Ų6185.2 Ų85.237%0.3751%0.506SS..Hα-helixtrans-64-44179.2174.40000110.2S46 T52 I53 T54S46-V50 WeakPolarHBondContact O-CG2 3.44Å; S46-V50 PolarHBondContact O-N 2.9Å; V50-T52 VanDerWaalsContact C-N 3.33Å; V50-T52 PolarHBondContact O-N 3.19Å; V50-I53 PolarHBondContact O-N 3.35Å; V50-T54 HydrophobicContact CG1-CG2 4.4Å; V50-T54 WeakPolarHBondContact O-CG2 3.25Å; V50-T54 PolarHBondContact O-N 2.94Å; V50-T54 PolarHBondContact O-OG1 2.93Å
51N69.4Low63.6Low97 Ų9784.7 Ų84.752%0.51951%0.505SS..Hα-helixtrans-60-40.8176.6-175.175.7000112.6S47 L48 T54 S55S47-N51 VanDerWaalsContact O-CB 3.27Å; S47-N51 WeakPolarHBondContact O-CB 3.2Å; S47-N51 PolarHBondContact O-N 3.48Å; L48-N51 PolarHBondContact O-N 3.31Å; N51-T54 WeakPolarHBondContact CA-OG1 3.32Å; N51-T54 PolarHBondContact O-OG1 3.46Å; N51-S55 PolarHBondContact O-N 3.15Å; N51-S55 PolarHBondContact O-OG 3.29Å
52T72.4Confident63.1Low69 Ų6980.7 Ų80.742%0.42351%0.508SS..Hα-helixtrans-68.7-42.6175.9-58.50000111.8L48 T49 V50 T54 S55 V56L48-T52 PolarHBondContact O-N 3.21Å; L48-T52 PolarHBondContact O-OG1 3.14Å; L48-T52 VanDerWaalsContact O-OG1 3.14Å; T49-T52 PolarHBondContact O-N 3.4Å; V50-T52 VanDerWaalsContact C-N 3.33Å; V50-T52 PolarHBondContact O-N 3.19Å; T52-T54 PolarHBondContact O-N 2.74Å; T52-S55 WeakPolarHBondContact CA-OG 3.44Å; T52-S55 PolarHBondContact O-N 3.42Å; T52-S55 PolarHBondContact O-OG 3.43Å; T52-V56 HydrophobicContact CG2-CG2 4.46Å; T52-V56 WeakPolarHBondContact O-CG2 3.38Å; T52-V56 PolarHBondContact O-N 2.75Å
53I72.6Confident62.7Low108 Ų10883.1 Ų83.155%0.55453%0.525SS*.Hα-helixtrans-61.3-46.8177.5-68.1163000110.3T49 V50 S55 V56 D57T49-I53 WeakPolarHBondContact O-CD1 3.35Å; T49-I53 WeakPolarHBondContact O-CG1 3.44Å; T49-I53 PolarHBondContact O-N 3.01Å; V50-I53 PolarHBondContact O-N 3.35Å; I53-S55 VanDerWaalsContact C-N 3.28Å; I53-S55 PolarHBondContact O-N 2.99Å; I53-V56 PolarHBondContact O-N 2.66Å; I53-D57 WeakPolarHBondContact O-CB 3.35Å; I53-D57 PolarHBondContact O-N 3.1Å
54T64Low61.9Low78 Ų7887.7 Ų87.748%0.47955%0.55SS.*Hα-helixtrans-63.3-33.8177.1520000112.5V50 N51 T52 S58V50-T54 HydrophobicContact CG1-CG2 4.4Å; V50-T54 WeakPolarHBondContact O-CG2 3.25Å; V50-T54 PolarHBondContact O-N 2.94Å; V50-T54 PolarHBondContact O-OG1 2.93Å; N51-T54 WeakPolarHBondContact CA-OG1 3.32Å; N51-T54 PolarHBondContact O-OG1 3.46Å; T52-T54 PolarHBondContact O-N 2.74Å; T54-S58 VanDerWaalsContact O-CB 3.25Å; T54-S58 WeakPolarHBondContact O-CB 3.48Å; T54-S58 PolarHBondContact O-N 3.22Å; T54-S58 PolarHBondContact O-OG 3.19Å
55S64.1Low60.6Low50 Ų5091.7 Ų91.735%0.3556%0.562SS.*Hα-helixtrans-67.6-41.2174.567.70000112.5N51 T52 I53 D57 S58 V59N51-S55 PolarHBondContact O-N 3.15Å; N51-S55 PolarHBondContact O-OG 3.29Å; T52-S55 WeakPolarHBondContact CA-OG 3.44Å; T52-S55 PolarHBondContact O-N 3.42Å; T52-S55 PolarHBondContact O-OG 3.43Å; I53-S55 VanDerWaalsContact C-N 3.28Å; I53-S55 PolarHBondContact O-N 2.99Å; S55-D57 VanDerWaalsContact C-N 3.34Å; S55-S58 WeakPolarHBondContact CA-OG 3.06Å; S55-S58 PolarHBondContact O-N 3.16Å; S55-S58 PolarHBondContact O-OG 3.24Å; S55-V59 WeakPolarHBondContact O-CG2 3.36Å; S55-V59 PolarHBondContact O-N 3Å; S55-V59 VanDerWaalsContact O-N 3.1Å
56V62.3Low59.1Low103 Ų10391.9 Ų91.962%0.62456%0.557SS**Hα-helixtrans-70.1-36-179.6176.10000110.6T52 I53 V59T52-V56 HydrophobicContact CG2-CG2 4.46Å; T52-V56 WeakPolarHBondContact O-CG2 3.38Å; T52-V56 PolarHBondContact O-N 2.75Å; I53-V56 PolarHBondContact O-N 2.66Å; V56-V59 PolarHBondContact O-N 3.18Å
57D59.5Low57.5Low135 Ų13599.4 Ų99.472%0.72258%0.579SS**Hα-helixtrans-67.3-41173-161.4-107.3000111.6I53 S55 V59 G60I53-D57 WeakPolarHBondContact O-CB 3.35Å; I53-D57 PolarHBondContact O-N 3.1Å; S55-D57 VanDerWaalsContact C-N 3.34Å; D57-V59 VanDerWaalsContact C-N 3.27Å; D57-V59 PolarHBondContact O-N 3.25Å; D57-G60 PolarHBondContact O-N 2.96Å; D57-G60 VanDerWaalsContact O-N 3.15Å
58S49.4Very low55.8Low38 Ų38102.3 Ų102.327%0.26660%0.598SS.*Hα-helixtrans-68.2-20176.971.70000114.6T54 S55 G60 C61T54-S58 VanDerWaalsContact O-CB 3.25Å; T54-S58 WeakPolarHBondContact O-CB 3.48Å; T54-S58 PolarHBondContact O-N 3.22Å; T54-S58 PolarHBondContact O-OG 3.19Å; S55-S58 WeakPolarHBondContact CA-OG 3.06Å; S55-S58 PolarHBondContact O-N 3.16Å; S55-S58 PolarHBondContact O-OG 3.24Å; S58-G60 PolarHBondContact O-N 3.45Å; S58-C61 PolarHBondContact O-N 3.49Å; S58-C61 VanDerWaalsContact O-N 3.16Å; S58-C61 VanDerWaalsContact O-O 3.08Å
59V57.3Low54.2Low128 Ų128102.4 Ų102.478%0.77660%0.595SS**THydrogen-bonded Turntrans-66.3-14173.9164.20000111.8S55 V56 D57S55-V59 WeakPolarHBondContact O-CG2 3.36Å; S55-V59 PolarHBondContact O-N 3Å; S55-V59 VanDerWaalsContact O-N 3.1Å; V56-V59 PolarHBondContact O-N 3.18Å; D57-V59 VanDerWaalsContact C-N 3.27Å; D57-V59 PolarHBondContact O-N 3.25Å
60G53.7Low52.8Low67 Ų67106 Ų10669%0.69161%0.607SS**THydrogen-bonded Turntrans-85.9-12.3172.800000116D57 S58D57-G60 PolarHBondContact O-N 2.96Å; D57-G60 VanDerWaalsContact O-N 3.15Å; S58-G60 PolarHBondContact O-N 3.45Å
61C42.9Very low51.4Low101 Ų101109.6 Ų109.668%0.68263%0.633SS**SBendtrans-137.1106.3179.1-88.90000110S58S58-C61 PolarHBondContact O-N 3.49Å; S58-C61 VanDerWaalsContact O-N 3.16Å; S58-C61 VanDerWaalsContact O-O 3.08Å
62G46.3Very low50Low73 Ų73106.3 Ų106.375%0.75362%0.622SS**  trans-50.3139.9-179.400000112.9N64G62-N64 PolarHBondContact O-N 3.4Å
63S54.8Low48.4Very low100 Ų100108.5 Ų108.570%0.69964%0.639SS**SBendtrans14.3106.5149.5-56.30000114.4
64N44.3Very low47Very low138 Ų138106.7 Ų106.774%0.73865%0.647SS**  trans171.5121.9134.3-78.6-39.2000109.5G62G62-N64 PolarHBondContact O-N 3.4Å
65H42.3Very low46Very low180 Ų180111.5 Ų111.583%0.83366%0.658SS**SBendtrans86.116151.4-76.9-126.6000123
66Y41.3Very low45Very low114 Ų114115.9 Ų115.945%0.44768%0.676SS.*  trans-99.6-5.5173.353.2-91.1000116C68 H69Y66-C68 PolarHBondContact O-N 3.11Å; Y66-H69 PolarHBondContact O-N 3.47Å
67W33.3Very low44Very low197 Ų197115.9 Ų115.975%0.74667%0.668SS**THydrogen-bonded Turntrans-69.20.1176.7-64.6112.5000114.8
68C33.8Very low42.7Very low126 Ų126114.1 Ų114.185%0.85167%0.666SS**THydrogen-bonded Turntrans-92.64.4176.2-147.80000114Y66Y66-C68 PolarHBondContact O-N 3.11Å
69H38.5Very low42.4Very low116 Ų116116.2 Ų116.254%0.53768%0.679SS.*SBendtrans-120.17.6177-144.7-89.2000114.8Y66 C71 G72 Y75Y66-H69 PolarHBondContact O-N 3.47Å; H69-C71 VanDerWaalsContact C-N 3.32Å; H69-G72 PolarHBondContact CE1-O 2.92Å; H69-G72 VanDerWaalsContact CE1-O 3.3Å; H69-Y75 PolarHBondContact CE1-OH 3.13Å
70Q39.9Very low41.3Very low148 Ų148122.7 Ų122.769%0.69270%0.697SS**SBendtrans-81.3-13.4173-146.777.770.400112.8
71C37Very low40.6Very low136 Ų136125.5 Ų125.592%0.91970%0.697SS**SBendtrans-101.63180-67.60000114.6H69H69-C71 VanDerWaalsContact C-N 3.32Å
72G40Very low40.5Very low28 Ų28126.7 Ų126.729%0.28970%0.698SS.*SBendtrans-136.8104.3-173.500000114.7H69H69-G72 PolarHBondContact CE1-O 2.92Å; H69-G72 VanDerWaalsContact CE1-O 3.3Å
73C38.3Very low40.2Very low114 Ų114129.7 Ų129.777%0.7770%0.695SS**  trans68.189.1143.9-54.10000119.6Y75C73-Y75 VanDerWaalsContact O-CD1 3.28Å; C73-Y75 WeakPolarHBondContact O-CD1 3.44Å; C73-Y75 WeakPolarHBondContact O-CE1 3.21Å
74G43.8Very low39.3Very low71 Ų71131.5 Ų131.573%0.73270%0.695SS**  88.537.7103.400000122.3
75Y42.7Very low39Very low178 Ų178131.1 Ų131.170%0.69869%0.692SS**SBendtrans-144.110.8170.735.5-97.1000119.7H69 C73H69-Y75 PolarHBondContact CE1-OH 3.13Å; C73-Y75 VanDerWaalsContact O-CD1 3.28Å; C73-Y75 WeakPolarHBondContact O-CD1 3.44Å; C73-Y75 WeakPolarHBondContact O-CE1 3.21Å
76I44.3Very low38.8Very low143 Ų143127.8 Ų127.873%0.73368%0.682SS**SBendtrans-116.1-6.2171-57.5172.3000112.4
77F41.3Very low38.6Very low103 Ų103128.8 Ų128.845%0.45270%0.699SS.*  trans-150.171-179.8-153.3-82.8000111.2L43 P79L43-F77 HydrophobicContact CB-CE2 3.5Å; L43-F77 VanDerWaalsContact CB-CE2 3.5Å; L43-F77 HydrophobicContact CB-CZ 3.43Å; L43-F77 VanDerWaalsContact CB-CZ 3.43Å; L43-F77 HydrophobicContact CD1-CE1 4.13Å; L43-F77 HydrophobicContact CD1-CE2 4.12Å; L43-F77 HydrophobicContact CD1-CZ 3.4Å; L43-F77 VanDerWaalsContact CD1-CZ 3.4Å; L43-F77 HydrophobicContact CD2-CD2 3.93Å; L43-F77 HydrophobicContact CD2-CE1 4.19Å; L43-F77 HydrophobicContact CD2-CE2 3.01Å; L43-F77 HydrophobicContact CD2-CZ 3.21Å; L43-F77 HydrophobicContact CG-CE2 3.6Å; L43-F77 HydrophobicContact CG-CZ 3.42Å; L43-F77 VanDerWaalsContact CG-CZ 3.42Å; F77-P79 HydrophobicContact CD1-CB 4.45Å; F77-P79 HydrophobicContact CD1-CG 4.48Å; F77-P79 HydrophobicContact CE1-CB 4.21Å; F77-P79 HydrophobicContact CE1-CG 4.44Å
78S30.8Very low39.1Very low97 Ų97123.5 Ų123.568%0.67870%0.696SS**  trans-88.5117.8151.3-84.50000106.9F80S78-F80 PolarHBondContact O-N 3.16Å; S78-F80 VanDerWaalsContact O-N 3.16Å
79P43.4Very low39.5Very low83 Ų83123.3 Ų123.354%0.53968%0.683SS.*  trans-8650.7175.936.8-34.4000110.5F77F77-P79 HydrophobicContact CD1-CB 4.45Å; F77-P79 HydrophobicContact CD1-CG 4.48Å; F77-P79 HydrophobicContact CE1-CB 4.21Å; F77-P79 HydrophobicContact CE1-CG 4.44Å
80F34Very low39.6Very low263 Ų263124 Ų124100%1.15470%0.696SS**  trans-158.70167.2-75.8-68.4000110.2S78S78-F80 PolarHBondContact O-N 3.16Å; S78-F80 VanDerWaalsContact O-N 3.16Å

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