A0A093HCX1_STRCA Loading...

Transcription factor HES-5

Transcriptional repressor of genes that require a bHLH protein for their transcription. Plays an important role as neurogenesis negative regulator.

AlphaFold DB , UniProt , Accession A0A093HCX1, Species STRCA (Struthio camelus australis), Gene n/a, Length 157 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M39.8Very low51.1Low252 Ų252122.1 Ų122.1100%1.24169%0.693SS**  01050-75.3148.487.200108.3
2A39.2Very low52Low96 Ų96117.8 Ų117.879%0.79367%0.672SS**  trans-134.1154.4167.600000107.4
3P52.7Low52.7Low106 Ų106116.5 Ų116.569%0.68867%0.67SS**  cis-135.8166.911.628.3-5.3000116A5P3-A5 HydrophobicContact CG-CB 4.27Å; P3-A5 PolarHBondContact O-N 2.96Å
4N53.3Low53.1Low157 Ų157118.5 Ų118.584%0.8467%0.667SS**THydrogen-bonded Turntrans-56.723.2166.9-74.1-60000115.8
5A49.3Very low53.6Low62 Ų62115.7 Ų115.751%0.51265%0.646SS.*THydrogen-bonded Turntrans-78.2-27.5-176.700000113.1P3 C7P3-A5 HydrophobicContact CG-CB 4.27Å; P3-A5 PolarHBondContact O-N 2.96Å; A5-C7 VanDerWaalsContact C-N 3.3Å; A5-C7 PolarHBondContact O-N 3.22Å
6L51Low54Low134 Ų134112.8 Ų112.870%0.70263%0.625SS**THydrogen-bonded Turntrans-73.4-19.4-174.5-126.5159.3000113.6L8L6-L8 PolarHBondContact O-N 3.29Å
7C51.9Low54.4Low94 Ų94111.5 Ų111.564%0.63562%0.617SS**THydrogen-bonded Turntrans-76.2-22.4-178.4-166.80000113.1A5A5-C7 VanDerWaalsContact C-N 3.3Å; A5-C7 PolarHBondContact O-N 3.22Å
8L53.9Low54.8Low103 Ų103114.7 Ų114.754%0.53962%0.618SS.*THydrogen-bonded Turntrans-81.6-20.3178.4-81.4164.4000113.5L6 L11 K16L6-L8 PolarHBondContact O-N 3.29Å; L8-L11 HydrophobicContact CD2-CD1 4.18Å; L8-K16 WeakPolarHBondContact O-CE 3.4Å; L8-K16 PolarHBondContact O-NZ 2.95Å
9E53.5Low55.1Low150 Ų150113.1 Ų113.170%0.70161%0.609SS**THydrogen-bonded Turntrans-69.8-33179.8-79-85121.300112L11E9-L11 VanDerWaalsContact C-N 3.33Å; E9-L11 PolarHBondContact O-N 3.4Å
10I59.9Low55.7Low140 Ų140115.8 Ų115.872%0.71861%0.61SS**THydrogen-bonded Turntrans-82.1-9.4-173.5-49.9176.3000112.7
11L57.2Low56.5Low49 Ų49116.7 Ų116.726%0.25761%0.609SS.*SBendtrans-80.3130.6-178.3-66.3173000111.9L8 E9 E15 K16 L19L8-L11 HydrophobicContact CD2-CD1 4.18Å; E9-L11 VanDerWaalsContact C-N 3.33Å; E9-L11 PolarHBondContact O-N 3.4Å; L11-E15 HydrophobicContact CB-CB 4.04Å; L11-E15 HydrophobicContact CD2-CB 4.14Å; L11-K16 HydrophobicContact CB-CG 4.12Å; L11-K16 WeakPolarHBondContact O-CE 3.5Å; L11-K16 PolarHBondContact O-NZ 3.09Å; L11-L19 HydrophobicContact CD1-CD1 3.67Å
12T61.7Low58.7Low71 Ų71107.8 Ų107.844%0.43657%0.57SS.*  trans-59.1153.3176.1640000110.6K14 E15 K16T12-K14 PolarHBondContact O-N 3.49Å; T12-E15 WeakPolarHBondContact CB-OE2 3.48Å; T12-E15 WeakPolarHBondContact CG2-OE2 3.43Å; T12-E15 PolarHBondContact N-OE2 3.03Å; T12-E15 PolarHBondContact O-N 3.17Å; T12-E15 VanDerWaalsContact OG1-CD 3.22Å; T12-E15 WeakPolarHBondContact OG1-CG 3.48Å; T12-E15 PolarHBondContact OG1-N 3.1Å; T12-E15 PolarHBondContact OG1-OE2 3.5Å; T12-K16 PolarHBondContact O-N 3.37Å
13P61.8Low60.9Low100 Ų100108.2 Ų108.265%0.64956%0.557SS**Hα-helixtrans-53.8-26.4177.8-26.734.1000114N17P13-N17 WeakPolarHBondContact O-CB 3.38Å; P13-N17 PolarHBondContact O-N 3.01Å; P13-N17 PolarHBondContact O-ND2 3.49Å
14K57.8Low62.6Low145 Ų145106.2 Ų106.263%0.6354%0.543SS*.Hα-helixtrans-72.5-38.2175.9-165.1173.3-179.8178.60112T12 R18T12-K14 PolarHBondContact O-N 3.49Å; K14-R18 WeakPolarHBondContact O-CB 3.47Å; K14-R18 VanDerWaalsContact O-CG 3.24Å; K14-R18 WeakPolarHBondContact O-CG 3.39Å; K14-R18 PolarHBondContact O-N 2.92Å
15E60.6Low64.3Low76 Ų76100.9 Ų100.936%0.35551%0.513SS..Hα-helixtrans-73.8-40.4175.4-69.2160.4144.700111.7L11 T12 N17 R18 L19L11-E15 HydrophobicContact CB-CB 4.04Å; L11-E15 HydrophobicContact CD2-CB 4.14Å; T12-E15 WeakPolarHBondContact CB-OE2 3.48Å; T12-E15 WeakPolarHBondContact CG2-OE2 3.43Å; T12-E15 PolarHBondContact N-OE2 3.03Å; T12-E15 PolarHBondContact O-N 3.17Å; T12-E15 VanDerWaalsContact OG1-CD 3.22Å; T12-E15 WeakPolarHBondContact OG1-CG 3.48Å; T12-E15 PolarHBondContact OG1-N 3.1Å; T12-E15 PolarHBondContact OG1-OE2 3.5Å; E15-N17 VanDerWaalsContact C-N 3.3Å; E15-N17 PolarHBondContact O-N 3.04Å; E15-R18 WeakPolarHBondContact O-CB 3.37Å; E15-R18 PolarHBondContact O-N 3.12Å; E15-R18 VanDerWaalsContact O-N 3.12Å; E15-L19 WeakPolarHBondContact O-CG 3.41Å; E15-L19 PolarHBondContact O-N 3.19Å
16K59.7Low66.4Low69 Ų69104 Ų10430%0.352%0.515SS..Hα-helixtrans-58.4-41.2170.8-70.8174.6176.11630111.6L8 L11 T12 L19 R20L8-K16 WeakPolarHBondContact O-CE 3.4Å; L8-K16 PolarHBondContact O-NZ 2.95Å; L11-K16 HydrophobicContact CB-CG 4.12Å; L11-K16 WeakPolarHBondContact O-CE 3.5Å; L11-K16 PolarHBondContact O-NZ 3.09Å; T12-K16 PolarHBondContact O-N 3.37Å; K16-L19 PolarHBondContact O-N 2.95Å; K16-R20 WeakPolarHBondContact O-CB 3.45Å; K16-R20 VanDerWaalsContact O-CG 3.27Å; K16-R20 WeakPolarHBondContact O-CG 3.18Å; K16-R20 PolarHBondContact O-N 2.67Å
17N61.1Low68.4Low91 Ų91103 Ų10349%0.48751%0.51SS..Hα-helixtrans-67.6-38.6173.4-87.9-58000113.2P13 E15 L19 R20 K21P13-N17 WeakPolarHBondContact O-CB 3.38Å; P13-N17 PolarHBondContact O-N 3.01Å; P13-N17 PolarHBondContact O-ND2 3.49Å; E15-N17 VanDerWaalsContact C-N 3.3Å; E15-N17 PolarHBondContact O-N 3.04Å; N17-L19 PolarHBondContact O-N 3.09Å; N17-R20 PolarHBondContact O-N 2.91Å; N17-K21 WeakPolarHBondContact O-CG 3.48Å; N17-K21 PolarHBondContact O-N 3.22Å
18R61.5Low70.6Confident169 Ų169101.5 Ų101.564%0.63849%0.491SS*.Hα-helixtrans-63.7-27.9175-77.8171.9166.8-164.3-5.9113K14 E15 P22K14-R18 WeakPolarHBondContact O-CB 3.47Å; K14-R18 VanDerWaalsContact O-CG 3.24Å; K14-R18 WeakPolarHBondContact O-CG 3.39Å; K14-R18 PolarHBondContact O-N 2.92Å; E15-R18 WeakPolarHBondContact O-CB 3.37Å; E15-R18 PolarHBondContact O-N 3.12Å; E15-R18 VanDerWaalsContact O-N 3.12Å; R18-P22 WeakPolarHBondContact O-CD 3.45Å; R18-P22 WeakPolarHBondContact O-CG 3.49Å
19L60.9Low72.6Confident85 Ų85102.4 Ų102.445%0.44549%0.487SS..Hα-helixtrans-90.7-28.5176.6-66.1169.9000113.4L11 E15 K16 N17 P22 I23L11-L19 HydrophobicContact CD1-CD1 3.67Å; E15-L19 WeakPolarHBondContact O-CG 3.41Å; E15-L19 PolarHBondContact O-N 3.19Å; K16-L19 PolarHBondContact O-N 2.95Å; N17-L19 PolarHBondContact O-N 3.09Å; L19-P22 VanDerWaalsContact C-CD 3.47Å; L19-P22 VanDerWaalsContact O-CD 3.24Å; L19-P22 WeakPolarHBondContact O-CD 3.35Å; L19-P22 WeakPolarHBondContact O-CG 3.3Å; L19-I23 WeakPolarHBondContact O-CD1 3.45Å; L19-I23 WeakPolarHBondContact O-CG1 3.46Å
20R67.3Low74.7Confident167 Ų16798.9 Ų98.963%0.6347%0.473SS*.Hα-helixtrans-69.1-40.7174.6-78.1177.2-177.9-164.20.6112.6K16 N17 I23 V24K16-R20 WeakPolarHBondContact O-CB 3.45Å; K16-R20 VanDerWaalsContact O-CG 3.27Å; K16-R20 WeakPolarHBondContact O-CG 3.18Å; K16-R20 PolarHBondContact O-N 2.67Å; N17-R20 PolarHBondContact O-N 2.91Å; R20-I23 PolarHBondContact O-N 2.93Å; R20-V24 WeakPolarHBondContact O-CG2 3.28Å; R20-V24 PolarHBondContact O-N 3.4Å
21K73.4Confident76.5Confident134 Ų134100 Ų10058%0.58347%0.469SS*.Hα-helixtrans-53.6-49.8177.3-73.7-177.2174.7-152.50113.8N17 I23 V24 E25N17-K21 WeakPolarHBondContact O-CG 3.48Å; N17-K21 PolarHBondContact O-N 3.22Å; K21-I23 VanDerWaalsContact C-N 3.31Å; K21-I23 PolarHBondContact O-N 3.42Å; K21-V24 PolarHBondContact O-N 3.35Å; K21-E25 WeakPolarHBondContact O-CB 3.48Å; K21-E25 PolarHBondContact O-N 2.87Å
22P84.3Confident78.4Confident66 Ų66100.7 Ų100.743%0.42947%0.472SS..Hα-helixtrans-67.1-29.9178.423.6-33.2000113.2R18 L19 K26R18-P22 WeakPolarHBondContact O-CD 3.45Å; R18-P22 WeakPolarHBondContact O-CG 3.49Å; L19-P22 VanDerWaalsContact C-CD 3.47Å; L19-P22 VanDerWaalsContact O-CD 3.24Å; L19-P22 WeakPolarHBondContact O-CD 3.35Å; L19-P22 WeakPolarHBondContact O-CG 3.3Å; P22-K26 VanDerWaalsContact O-CB 3.28Å; P22-K26 WeakPolarHBondContact O-CB 3.42Å; P22-K26 PolarHBondContact O-N 3.39Å
23I85.1Confident80.1Confident104 Ų104100.1 Ų100.153%0.53347%0.466SS..Hα-helixtrans-69.3-48.8175.5-63.1167.2000110.6L19 R20 K21 E25 K26 L27L19-I23 WeakPolarHBondContact O-CD1 3.45Å; L19-I23 WeakPolarHBondContact O-CG1 3.46Å; R20-I23 PolarHBondContact O-N 2.93Å; K21-I23 VanDerWaalsContact C-N 3.31Å; K21-I23 PolarHBondContact O-N 3.42Å; I23-E25 VanDerWaalsContact C-N 3.32Å; I23-E25 PolarHBondContact O-N 3.34Å; I23-K26 WeakPolarHBondContact O-CB 3.38Å; I23-K26 PolarHBondContact O-N 2.99Å; I23-L27 HydrophobicContact CG2-CD1 4.48Å; I23-L27 WeakPolarHBondContact O-CG 3.3Å; I23-L27 PolarHBondContact O-N 3.46Å
24V88.7Confident81.8Confident64 Ų6498.5 Ų98.539%0.38846%0.457SS..Hα-helixtrans-60.6-44.2179171.40000110.9R20 K21 K26 L27 R28 W157R20-V24 WeakPolarHBondContact O-CG2 3.28Å; R20-V24 PolarHBondContact O-N 3.4Å; K21-V24 PolarHBondContact O-N 3.35Å; V24-K26 VanDerWaalsContact C-N 3.35Å; V24-L27 PolarHBondContact O-N 3.08Å; V24-R28 PolarHBondContact O-N 3.44Å; V24-W157 HydrophobicContact CG1-CE3 4.17Å; V24-W157 HydrophobicContact CG1-CZ3 4.04Å
25E90.5Very high83.7Confident46 Ų4694 Ų9422%0.21544%0.444CS..Hα-helixtrans-70.6-31.5179.5173.155-159.200112K21 I23 R28 R29K21-E25 WeakPolarHBondContact O-CB 3.48Å; K21-E25 PolarHBondContact O-N 2.87Å; I23-E25 VanDerWaalsContact C-N 3.32Å; I23-E25 PolarHBondContact O-N 3.34Å; E25-R28 VanDerWaalsContact CD-NH1 3.33Å; E25-R28 PolarHBondContact O-N 3.44Å; E25-R28 IonicContact OE1-NH1 2.99Å; E25-R28 PolarHBondContact OE1-NH1 2.97Å; E25-R28 WeakPolarHBondContact OE2-CD 3.26Å; E25-R28 IonicContact OE2-CZ 2.89Å; E25-R28 IonicContact OE2-NH1 2.77Å; E25-R28 PolarHBondContact OE2-NH1 3.48Å; E25-R29 VanDerWaalsContact CG-CZ 3.5Å; E25-R29 WeakPolarHBondContact O-CG 3.17Å; E25-R29 PolarHBondContact O-N 3.34Å; E25-R29 WeakPolarHBondContact OE1-CG 3.35Å; E25-R29 IonicContact OE1-CZ 3.84Å; E25-R29 IonicContact OE1-NE 2.82Å; E25-R29 IonicContact OE1-NH1 3.57Å; E25-R29 PolarHBondContact OE1-NH1 3.38Å
26K92.2Very high85.5Confident128 Ų12891.1 Ų91.156%0.55743%0.431SS*.Hα-helixtrans-59.8-50.4167.6-178.6179.4177.4-177.20111P22 I23 V24 R28 R29 D30P22-K26 VanDerWaalsContact O-CB 3.28Å; P22-K26 WeakPolarHBondContact O-CB 3.42Å; P22-K26 PolarHBondContact O-N 3.39Å; I23-K26 WeakPolarHBondContact O-CB 3.38Å; I23-K26 PolarHBondContact O-N 2.99Å; V24-K26 VanDerWaalsContact C-N 3.35Å; K26-R28 VanDerWaalsContact C-N 3.29Å; K26-R28 PolarHBondContact O-N 2.99Å; K26-R29 PolarHBondContact O-N 2.9Å; K26-R29 VanDerWaalsContact O-N 3.11Å; K26-D30 VanDerWaalsContact O-CG 3.23Å; K26-D30 PolarHBondContact O-N 2.97Å
27L93.7Very high87.2Confident112 Ų11292.3 Ų92.359%0.58644%0.437SS*.Hα-helixtrans-60-38.4177.9-68.3173.9000112.4I23 V24 D30 R31I23-L27 HydrophobicContact CG2-CD1 4.48Å; I23-L27 WeakPolarHBondContact O-CG 3.3Å; I23-L27 PolarHBondContact O-N 3.46Å; V24-L27 PolarHBondContact O-N 3.08Å; L27-D30 PolarHBondContact O-N 3.25Å; L27-R31 WeakPolarHBondContact O-CB 3.13Å; L27-R31 PolarHBondContact O-N 3.41Å
28R96.8Very high88.9Confident62 Ų6293.1 Ų93.123%0.23444%0.438CS..Hα-helixtrans-61.8-47.5174.1177.1177.5158.8-84.5-7.5111.2V24 E25 K26 R31 I32V24-R28 PolarHBondContact O-N 3.44Å; E25-R28 VanDerWaalsContact CD-NH1 3.33Å; E25-R28 PolarHBondContact O-N 3.44Å; E25-R28 IonicContact OE1-NH1 2.99Å; E25-R28 PolarHBondContact OE1-NH1 2.97Å; E25-R28 WeakPolarHBondContact OE2-CD 3.26Å; E25-R28 IonicContact OE2-CZ 2.89Å; E25-R28 IonicContact OE2-NH1 2.77Å; E25-R28 PolarHBondContact OE2-NH1 3.48Å; K26-R28 VanDerWaalsContact C-N 3.29Å; K26-R28 PolarHBondContact O-N 2.99Å; R28-R31 PolarHBondContact O-N 2.93Å; R28-I32 HydrophobicContact CG-CD1 4.06Å; R28-I32 WeakPolarHBondContact O-CG1 3.4Å; R28-I32 PolarHBondContact O-N 2.96Å
29R97.3Very high90.6Very high122 Ų12287.5 Ų87.546%0.4642%0.421SS..Hα-helixtrans-62.1-42.6177.3-76.3-171.6-75.6-106.37.8112.1E25 K26 R31 I32 N33E25-R29 VanDerWaalsContact CG-CZ 3.5Å; E25-R29 WeakPolarHBondContact O-CG 3.17Å; E25-R29 PolarHBondContact O-N 3.34Å; E25-R29 WeakPolarHBondContact OE1-CG 3.35Å; E25-R29 IonicContact OE1-CZ 3.84Å; E25-R29 IonicContact OE1-NE 2.82Å; E25-R29 IonicContact OE1-NH1 3.57Å; E25-R29 PolarHBondContact OE1-NH1 3.38Å; K26-R29 PolarHBondContact O-N 2.9Å; K26-R29 VanDerWaalsContact O-N 3.11Å; R29-R31 VanDerWaalsContact C-N 3.33Å; R29-R31 PolarHBondContact O-N 3.45Å; R29-I32 PolarHBondContact O-N 3.38Å; R29-N33 WeakPolarHBondContact O-CB 3.2Å; R29-N33 VanDerWaalsContact O-CG 3.23Å; R29-N33 PolarHBondContact O-N 3.27Å; R29-N33 PolarHBondContact O-ND2 3.41Å
30D97.1Very high92.2Very high76 Ų7686.4 Ų86.441%0.40641%0.412SS..Hα-helixtrans-62.4-42.7177.9-66.3-17.7000110.8K26 L27 N33 S34K26-D30 VanDerWaalsContact O-CG 3.23Å; K26-D30 PolarHBondContact O-N 2.97Å; L27-D30 PolarHBondContact O-N 3.25Å; D30-N33 PolarHBondContact O-N 3.33Å; D30-S34 WeakPolarHBondContact O-CB 3.45Å; D30-S34 PolarHBondContact O-N 3.14Å
31R97.9Very high93.5Very high165 Ų16584 Ų8462%0.62341%0.411SS*.Hα-helixtrans-59.7-47.6173.9-165.6-175.287-127.97.5112.1L27 R28 R29 N33 S34 S35L27-R31 WeakPolarHBondContact O-CB 3.13Å; L27-R31 PolarHBondContact O-N 3.41Å; R28-R31 PolarHBondContact O-N 2.93Å; R29-R31 VanDerWaalsContact C-N 3.33Å; R29-R31 PolarHBondContact O-N 3.45Å; R31-N33 PolarHBondContact O-N 3Å; R31-S34 PolarHBondContact O-N 3.44Å; R31-S35 PolarHBondContact O-N 3.41Å; R31-S35 PolarHBondContact O-OG 2.9Å
32I97.3Very high94.5Very high62 Ų6284.3 Ų84.332%0.31842%0.419SS..Hα-helixtrans-60.7-46.6178.9-69.9167.7000110.5R28 R29 S34 S35 I36R28-I32 HydrophobicContact CG-CD1 4.06Å; R28-I32 WeakPolarHBondContact O-CG1 3.4Å; R28-I32 PolarHBondContact O-N 2.96Å; R29-I32 PolarHBondContact O-N 3.38Å; I32-S34 VanDerWaalsContact C-N 3.35Å; I32-S34 PolarHBondContact O-N 2.69Å; I32-S35 PolarHBondContact O-N 2.81Å; I32-I36 HydrophobicContact CG2-CD1 3.86Å; I32-I36 WeakPolarHBondContact O-CG1 3.18Å; I32-I36 PolarHBondContact O-N 3.15Å
33N97.5Very high95Very high59 Ų5982.1 Ų82.132%0.31640%0.403SS..Hα-helixtrans-63-42.1179.1-69.9-27.1000111.9R29 D30 R31 S35 I36 E37 K58R29-N33 WeakPolarHBondContact O-CB 3.2Å; R29-N33 VanDerWaalsContact O-CG 3.23Å; R29-N33 PolarHBondContact O-N 3.27Å; R29-N33 PolarHBondContact O-ND2 3.41Å; D30-N33 PolarHBondContact O-N 3.33Å; R31-N33 PolarHBondContact O-N 3Å; N33-S35 VanDerWaalsContact C-N 3.35Å; N33-S35 PolarHBondContact O-N 3.18Å; N33-I36 PolarHBondContact O-N 3.05Å; N33-E37 PolarHBondContact O-N 3.48Å; N33-K58 PolarHBondContact OD1-NZ 2.57Å
34S97.8Very high95.3Very high66 Ų6681.1 Ų81.146%0.46240%0.396SS..Hα-helixtrans-59.9-45.2175.3177.60000111.5D30 R31 I32 I36 E37 Q38D30-S34 WeakPolarHBondContact O-CB 3.45Å; D30-S34 PolarHBondContact O-N 3.14Å; R31-S34 PolarHBondContact O-N 3.44Å; I32-S34 VanDerWaalsContact C-N 3.35Å; I32-S34 PolarHBondContact O-N 2.69Å; S34-I36 VanDerWaalsContact C-N 3.33Å; S34-I36 PolarHBondContact O-N 3.49Å; S34-E37 PolarHBondContact O-N 2.93Å; S34-Q38 WeakPolarHBondContact O-CG 3.44Å; S34-Q38 PolarHBondContact O-N 3.29Å
35S97.8Very high95.3Very high51 Ų5186.3 Ų86.336%0.35741%0.413SS..Hα-helixtrans-63.3-37.2176.4-60.50000112.8R31 I32 N33 Q38 L39R31-S35 PolarHBondContact O-N 3.41Å; R31-S35 PolarHBondContact O-OG 2.9Å; I32-S35 PolarHBondContact O-N 2.81Å; N33-S35 VanDerWaalsContact C-N 3.35Å; N33-S35 PolarHBondContact O-N 3.18Å; S35-Q38 PolarHBondContact O-N 3.09Å; S35-L39 WeakPolarHBondContact O-CG 3.22Å; S35-L39 PolarHBondContact O-N 3.21Å
36I97.1Very high95.3Very high15 Ų1586.9 Ų86.98%0.07742%0.416CS..Hα-helixtrans-64.7-42.8176.1-67.1166.4000111I32 N33 S34 Q38 L39 K40 K58 I61 L62I32-I36 HydrophobicContact CG2-CD1 3.86Å; I32-I36 WeakPolarHBondContact O-CG1 3.18Å; I32-I36 PolarHBondContact O-N 3.15Å; N33-I36 PolarHBondContact O-N 3.05Å; S34-I36 VanDerWaalsContact C-N 3.33Å; S34-I36 PolarHBondContact O-N 3.49Å; I36-Q38 VanDerWaalsContact C-N 3.35Å; I36-L39 WeakPolarHBondContact O-CB 3.23Å; I36-L39 PolarHBondContact O-N 2.72Å; I36-K40 PolarHBondContact O-N 3.38Å; I36-K58 HydrophobicContact CD1-CD 4.25Å; I36-K58 HydrophobicContact CG2-CG 4.25Å; I36-I61 HydrophobicContact CG2-CB 4.39Å; I36-I61 HydrophobicContact CG2-CD1 3.95Å; I36-I61 HydrophobicContact CG2-CG2 4.08Å; I36-L62 HydrophobicContact CG1-CD2 4.34Å
37E96.4Very high95.3Very high94 Ų9481.2 Ų81.244%0.43939%0.391SS..Hα-helixtrans-66.4-36.6175.1-68.5-59.3153.100112.2N33 S34 L39 K40 L41N33-E37 PolarHBondContact O-N 3.48Å; S34-E37 PolarHBondContact O-N 2.93Å; E37-L39 VanDerWaalsContact C-N 3.34Å; E37-L39 PolarHBondContact O-N 2.93Å; E37-K40 WeakPolarHBondContact O-CB 3.22Å; E37-K40 PolarHBondContact O-N 2.98Å; E37-L41 WeakPolarHBondContact O-CG 3.5Å; E37-L41 PolarHBondContact O-N 3.3Å; E37-L41 VanDerWaalsContact O-N 3.09Å
38Q97.3Very high95.1Very high109 Ų10981.3 Ų81.351%0.50939%0.389SS..Hα-helixtrans-61.3-42.6172.9-72.5177.8-54.300111.8S34 S35 I36 K40 L41 L42S34-Q38 WeakPolarHBondContact O-CG 3.44Å; S34-Q38 PolarHBondContact O-N 3.29Å; S35-Q38 PolarHBondContact O-N 3.09Å; I36-Q38 VanDerWaalsContact C-N 3.35Å; Q38-K40 VanDerWaalsContact C-N 3.31Å; Q38-K40 PolarHBondContact O-N 3.42Å; Q38-L41 PolarHBondContact O-N 3.3Å; Q38-L42 WeakPolarHBondContact O-CB 3.2Å; Q38-L42 WeakPolarHBondContact O-CG 3.4Å; Q38-L42 PolarHBondContact O-N 3.43Å
39L96.8Very high94.6Very high51 Ų5185.8 Ų85.827%0.26741%0.406SS..Hα-helixtrans-60.9-42174.8-71.2174.7000111.4S35 I36 E37 L41 L42 L43 I61 L62 T65S35-L39 WeakPolarHBondContact O-CG 3.22Å; S35-L39 PolarHBondContact O-N 3.21Å; I36-L39 WeakPolarHBondContact O-CB 3.23Å; I36-L39 PolarHBondContact O-N 2.72Å; E37-L39 VanDerWaalsContact C-N 3.34Å; E37-L39 PolarHBondContact O-N 2.93Å; L39-L41 VanDerWaalsContact C-N 3.31Å; L39-L41 PolarHBondContact O-N 3.39Å; L39-L42 PolarHBondContact O-N 3.41Å; L39-L43 PolarHBondContact O-N 2.83Å; L39-L43 VanDerWaalsContact O-N 3.08Å; L39-I61 HydrophobicContact CB-CG2 4.16Å; L39-L62 HydrophobicContact CD1-CD2 4.35Å; L39-T65 HydrophobicContact CD1-CG2 4.13Å; L39-T65 HydrophobicContact CD2-CG2 3.88Å
40K94Very high94Very high62 Ų6284.9 Ų84.927%0.2741%0.407SS..Hα-helixtrans-55.1-46.8176.1-170.8178.4173.8-178.70112.1I36 E37 Q38 E44 F47 L56 I61I36-K40 PolarHBondContact O-N 3.38Å; E37-K40 WeakPolarHBondContact O-CB 3.22Å; E37-K40 PolarHBondContact O-N 2.98Å; Q38-K40 VanDerWaalsContact C-N 3.31Å; Q38-K40 PolarHBondContact O-N 3.42Å; K40-E44 WeakPolarHBondContact O-CA 3.41Å; K40-E44 PolarHBondContact O-N 2.89Å; K40-E44 VanDerWaalsContact O-N 3.13Å; K40-F47 WeakPolarHBondContact O-CE2 3.34Å; K40-L56 HydrophobicContact CG-CD1 4.22Å; K40-I61 HydrophobicContact CB-CD1 4.23Å; K40-I61 HydrophobicContact CD-CD1 4.08Å; K40-I61 HydrophobicContact CG-CD1 4.33Å
41L94.4Very high93.4Very high116 Ų11685 Ų8561%0.60741%0.405SS*.Hα-helixtrans-70.1-43.9179.8-66.3172.6000112.5E37 Q38 L39 L43 E44E37-L41 WeakPolarHBondContact O-CG 3.5Å; E37-L41 PolarHBondContact O-N 3.3Å; E37-L41 VanDerWaalsContact O-N 3.09Å; Q38-L41 PolarHBondContact O-N 3.3Å; L39-L41 VanDerWaalsContact C-N 3.31Å; L39-L41 PolarHBondContact O-N 3.39Å; L41-L43 VanDerWaalsContact C-N 3.28Å; L41-L43 PolarHBondContact O-N 3.5Å; L41-E44 WeakPolarHBondContact O-CB 3.21Å; L41-E44 PolarHBondContact O-N 3.21Å
42L95.1Very high92.3Very high141 Ų14181.3 Ų81.374%0.73840%0.402SS*.Hα-helixtrans-63.9-34.1-178.3-74.7172.1000112.7Q38 L39Q38-L42 WeakPolarHBondContact O-CB 3.2Å; Q38-L42 WeakPolarHBondContact O-CG 3.4Å; Q38-L42 PolarHBondContact O-N 3.43Å; L39-L42 PolarHBondContact O-N 3.41Å
43L93.3Very high91Very high19 Ų1986.5 Ų86.510%0.09943%0.431CS..THydrogen-bonded Turntrans-108.117.4-176.7-62.7174.3000112.7L39 L41 K45 E46 F47 T65 Y68L39-L43 PolarHBondContact O-N 2.83Å; L39-L43 VanDerWaalsContact O-N 3.08Å; L41-L43 VanDerWaalsContact C-N 3.28Å; L41-L43 PolarHBondContact O-N 3.5Å; L43-K45 VanDerWaalsContact C-N 3.27Å; L43-K45 PolarHBondContact O-N 2.71Å; L43-K45 VanDerWaalsContact O-N 3.15Å; L43-E46 WeakPolarHBondContact O-CB 3.49Å; L43-E46 PolarHBondContact O-N 3.23Å; L43-F47 VanDerWaalsContact C-CD2 3.4Å; L43-F47 HydrophobicContact CB-CD2 4.03Å; L43-F47 HydrophobicContact CB-CE1 4.42Å; L43-F47 HydrophobicContact CB-CE2 3.35Å; L43-F47 HydrophobicContact CB-CZ 3.59Å; L43-F47 HydrophobicContact CD1-CZ 4.13Å; L43-F47 HydrophobicContact CG-CZ 4.5Å; L43-F47 WeakPolarHBondContact O-CD2 3.36Å; L43-F47 PolarHBondContact O-N 3.12Å; L43-T65 HydrophobicContact CD1-CG2 3.84Å; L43-T65 WeakPolarHBondContact CD1-OG1 3.32Å; L43-Y68 HydrophobicContact CD1-CD1 4.19Å; L43-Y68 HydrophobicContact CD1-CG 4.5Å; L43-Y68 HydrophobicContact CD2-CD1 3.48Å; L43-Y68 VanDerWaalsContact CD2-CD1 3.48Å; L43-Y68 HydrophobicContact CD2-CD2 4.31Å; L43-Y68 HydrophobicContact CD2-CE1 3.43Å; L43-Y68 VanDerWaalsContact CD2-CE1 3.43Å; L43-Y68 HydrophobicContact CD2-CE2 4.26Å; L43-Y68 HydrophobicContact CD2-CG 3.93Å
44E91.9Very high90.1Very high83 Ų8386.5 Ų86.539%0.38844%0.435SS..Hα-helixtrans-51.5-43.4-175-173.9134-13600113.2K40 L41 E46 F47 Q48K40-E44 WeakPolarHBondContact O-CA 3.41Å; K40-E44 PolarHBondContact O-N 2.89Å; K40-E44 VanDerWaalsContact O-N 3.13Å; L41-E44 WeakPolarHBondContact O-CB 3.21Å; L41-E44 PolarHBondContact O-N 3.21Å; E44-E46 PolarHBondContact O-N 3.42Å; E44-F47 PolarHBondContact O-N 2.62Å; E44-Q48 WeakPolarHBondContact O-CB 3.47Å; E44-Q48 WeakPolarHBondContact O-CG 3.02Å; E44-Q48 PolarHBondContact O-N 2.67Å
45K90Very high89.5Confident173 Ų17392.4 Ų92.475%0.75245%0.453SS*.Hα-helixtrans-63.9-39.7177.5-65.5-175.3179.4-179.60112.9L43 Q48 R49L43-K45 VanDerWaalsContact C-N 3.27Å; L43-K45 PolarHBondContact O-N 2.71Å; L43-K45 VanDerWaalsContact O-N 3.15Å; K45-Q48 PolarHBondContact O-N 3.17Å; K45-R49 WeakPolarHBondContact O-CB 3.1Å; K45-R49 PolarHBondContact O-N 2.86Å
46E90.5Very high89Confident59 Ų5991.2 Ų91.228%0.27644%0.442SS..Hα-helixtrans-69.8-38178-70.6-56.3141.300111.4L43 E44 R49 H50 Y68L43-E46 WeakPolarHBondContact O-CB 3.49Å; L43-E46 PolarHBondContact O-N 3.23Å; E44-E46 PolarHBondContact O-N 3.42Å; E46-R49 PolarHBondContact O-N 3.17Å; E46-R49 IonicContact OE2-CZ 2.67Å; E46-R49 IonicContact OE2-NE 3.34Å; E46-R49 PolarHBondContact OE2-NE 2.94Å; E46-R49 IonicContact OE2-NH2 3.02Å; E46-R49 PolarHBondContact OE2-NH2 2.96Å; E46-H50 PolarHBondContact O-N 3.44Å; E46-Y68 HydrophobicContact CG-CD2 3.78Å; E46-Y68 HydrophobicContact CG-CE2 3.76Å
47F91.4Very high88.8Confident8 Ų896.9 Ų96.94%0.03547%0.468CS..Hα-helixtrans-64.6-44.7173.8-58.4-55.1000111.8K40 L43 E44 R49 H50 Q51 L56 I61 M64K40-F47 WeakPolarHBondContact O-CE2 3.34Å; L43-F47 VanDerWaalsContact C-CD2 3.4Å; L43-F47 HydrophobicContact CB-CD2 4.03Å; L43-F47 HydrophobicContact CB-CE1 4.42Å; L43-F47 HydrophobicContact CB-CE2 3.35Å; L43-F47 HydrophobicContact CB-CZ 3.59Å; L43-F47 HydrophobicContact CD1-CZ 4.13Å; L43-F47 HydrophobicContact CG-CZ 4.5Å; L43-F47 WeakPolarHBondContact O-CD2 3.36Å; L43-F47 PolarHBondContact O-N 3.12Å; E44-F47 PolarHBondContact O-N 2.62Å; F47-R49 VanDerWaalsContact C-N 3.3Å; F47-R49 PolarHBondContact O-N 3.07Å; F47-H50 PolarHBondContact O-N 2.72Å; F47-Q51 PolarHBondContact O-N 3.36Å; F47-L56 HydrophobicContact CB-CD1 3.64Å; F47-L56 HydrophobicContact CB-CD2 4.34Å; F47-L56 HydrophobicContact CD1-CD1 4.06Å; F47-L56 HydrophobicContact CD1-CD2 4.44Å; F47-L56 HydrophobicContact CD2-CD1 3.81Å; F47-L56 HydrophobicContact CG-CD1 3.57Å; F47-I61 HydrophobicContact CZ-CG2 4.18Å; F47-M64 HydrophobicContact CB-CE 4.47Å; F47-M64 HydrophobicContact CD1-CB 4.01Å; F47-M64 HydrophobicContact CD1-CE 3.57Å; F47-M64 HydrophobicContact CD1-SD 3.71Å; F47-M64 HydrophobicContact CE1-CB 3.6Å; F47-M64 HydrophobicContact CE1-CE 4.36Å; F47-M64 HydrophobicContact CE1-SD 4.19Å; F47-M64 HydrophobicContact CG-CE 4.49Å
48Q88.9Confident88.7Confident115 Ų11597.3 Ų97.354%0.53747%0.469SS..Hα-helixtrans-61.1-37.1176.8-76.2-179.7-18.200112.7E44 K45 H50 P52E44-Q48 WeakPolarHBondContact O-CB 3.47Å; E44-Q48 WeakPolarHBondContact O-CG 3.02Å; E44-Q48 PolarHBondContact O-N 2.67Å; K45-Q48 PolarHBondContact O-N 3.17Å; Q48-H50 VanDerWaalsContact C-N 3.29Å; Q48-H50 PolarHBondContact O-N 3.2Å; Q48-P52 WeakPolarHBondContact O-CB 3.35Å; Q48-P52 WeakPolarHBondContact O-CD 3.41Å
49R87Confident88.6Confident155 Ų15595.2 Ų95.259%0.58547%0.47SS*.Hα-helixtrans-64.8-34.4176.9-172.5177.165.177.72.8112.4K45 E46 F47K45-R49 WeakPolarHBondContact O-CB 3.1Å; K45-R49 PolarHBondContact O-N 2.86Å; E46-R49 PolarHBondContact O-N 3.17Å; E46-R49 IonicContact OE2-CZ 2.67Å; E46-R49 IonicContact OE2-NE 3.34Å; E46-R49 PolarHBondContact OE2-NE 2.94Å; E46-R49 IonicContact OE2-NH2 3.02Å; E46-R49 PolarHBondContact OE2-NH2 2.96Å; F47-R49 VanDerWaalsContact C-N 3.3Å; F47-R49 PolarHBondContact O-N 3.07Å
50H84.1Confident88.4Confident104 Ų10494.6 Ų94.648%0.48147%0.467SS..Hα-helixtrans-90.6-38.9-177-76.7-37.2000113.8E46 F47 Q48 M64E46-H50 PolarHBondContact O-N 3.44Å; F47-H50 PolarHBondContact O-N 2.72Å; Q48-H50 VanDerWaalsContact C-N 3.29Å; Q48-H50 PolarHBondContact O-N 3.2Å; H50-M64 HydrophobicContact CB-CE 3.39Å
51Q84.3Confident88.4Confident78 Ų7891.8 Ų91.836%0.36446%0.455SS..SBendtrans-140.977.9179.2-68.7-170.841.200110.9F47 N53 S54F47-Q51 PolarHBondContact O-N 3.36Å; Q51-N53 PolarHBondContact O-N 3.19Å; Q51-S54 PolarHBondContact O-N 2.83Å; Q51-S54 VanDerWaalsContact OE1-CB 3.24Å; Q51-S54 PolarHBondContact OE1-OG 3.33Å
52P76.4Confident88.5Confident87 Ų8790.2 Ų90.257%0.56545%0.446SS*.THydrogen-bonded Turntrans-64.9122.117626.3-31.3000109.2Q48Q48-P52 WeakPolarHBondContact O-CB 3.35Å; Q48-P52 WeakPolarHBondContact O-CD 3.41Å
53N69.4Low88.5Confident172 Ų17290 Ų9092%0.9244%0.442SS*.THydrogen-bonded Turntrans79.810.4176.6-41.6-59.1000117.4Q51Q51-N53 PolarHBondContact O-N 3.19Å
54S78.1Confident88.6Confident59 Ų5990.5 Ų90.541%0.41344%0.444SS..  trans-88.1142.8172.7-166.60000112Q51 L56Q51-S54 PolarHBondContact O-N 2.83Å; Q51-S54 VanDerWaalsContact OE1-CB 3.24Å; Q51-S54 PolarHBondContact OE1-OG 3.33Å; S54-L56 PolarHBondContact O-N 2.97Å
55K85.4Confident88.7Confident190 Ų19087 Ų8783%0.82643%0.428SS*.  trans-76.3103.6170.9-175.2-179.8-179.1-178.30108E57K55-E57 PolarHBondContact O-N 3.28Å
56L86.9Confident89Confident26 Ų2682.3 Ų82.314%0.13641%0.414CS..  trans-61.7120.9179.1-60.7170.3000111.1K40 F47 S54 I61 M64K40-L56 HydrophobicContact CG-CD1 4.22Å; F47-L56 HydrophobicContact CB-CD1 3.64Å; F47-L56 HydrophobicContact CB-CD2 4.34Å; F47-L56 HydrophobicContact CD1-CD1 4.06Å; F47-L56 HydrophobicContact CD1-CD2 4.44Å; F47-L56 HydrophobicContact CD2-CD1 3.81Å; F47-L56 HydrophobicContact CG-CD1 3.57Å; S54-L56 PolarHBondContact O-N 2.97Å; L56-I61 HydrophobicContact CB-CD1 4.23Å; L56-I61 HydrophobicContact CB-CG1 3.82Å; L56-I61 HydrophobicContact CD1-CG1 4.36Å; L56-M64 HydrophobicContact CD2-SD 4.29Å
57E92.9Very high89Confident134 Ų13483.1 Ų83.163%0.62643%0.426SS*.  trans-77.4160.2169.5-57.3-159.7109.900110.4K55 A59 D60 I61K55-E57 PolarHBondContact O-N 3.28Å; E57-A59 PolarHBondContact O-N 2.92Å; E57-D60 WeakPolarHBondContact CB-OD2 3.2Å; E57-D60 PolarHBondContact N-OD2 3.3Å; E57-D60 PolarHBondContact O-N 3.3Å; E57-D60 VanDerWaalsContact O-N 3.14Å; E57-I61 WeakPolarHBondContact O-CG1 2.97Å; E57-I61 PolarHBondContact O-N 3.47Å
58K94.6Very high89.1Confident103 Ų10386.9 Ų86.945%0.44844%0.44SS..Hα-helixtrans-60.2-31.9179-69.4-172.4176.11770112.5N33 I36 L62N33-K58 PolarHBondContact OD1-NZ 2.57Å; I36-K58 HydrophobicContact CD1-CD 4.25Å; I36-K58 HydrophobicContact CG2-CG 4.25Å; K58-L62 VanDerWaalsContact O-CG 3.3Å; K58-L62 WeakPolarHBondContact O-CG 3.31Å; K58-L62 PolarHBondContact O-N 3.43Å
59A94.9Very high89.2Confident65 Ų6586 Ų8654%0.53744%0.439SS..Hα-helixtrans-65.7-48.5175.300000110.9E57 I61 L62 E63E57-A59 PolarHBondContact O-N 2.92Å; A59-I61 PolarHBondContact O-N 3.13Å; A59-L62 PolarHBondContact O-N 2.7Å; A59-L62 VanDerWaalsContact O-N 3.16Å; A59-E63 PolarHBondContact O-N 3.5Å
60D92.9Very high89.3Confident38 Ų3885.6 Ų85.620%0.20344%0.442CS..Hα-helixtrans-58.5-46.6178.1-53.5-34.7000111.5E57 L62 E63 M64E57-D60 WeakPolarHBondContact CB-OD2 3.2Å; E57-D60 PolarHBondContact N-OD2 3.3Å; E57-D60 PolarHBondContact O-N 3.3Å; E57-D60 VanDerWaalsContact O-N 3.14Å; D60-L62 VanDerWaalsContact C-N 3.27Å; D60-L62 PolarHBondContact O-N 3.01Å; D60-E63 PolarHBondContact O-N 3.07Å; D60-M64 VanDerWaalsContact O-CB 3.26Å; D60-M64 WeakPolarHBondContact O-CB 3.38Å; D60-M64 VanDerWaalsContact O-CG 3.31Å; D60-M64 WeakPolarHBondContact O-CG 3.28Å; D60-M64 PolarHBondContact O-N 3.45Å
61I94.8Very high89.4Confident3 Ų388 Ų882%0.01545%0.448CS..Hα-helixtrans-55.3-46.9178.4-64.1167000110I36 L39 K40 F47 L56 E57 A59 T65I36-I61 HydrophobicContact CG2-CB 4.39Å; I36-I61 HydrophobicContact CG2-CD1 3.95Å; I36-I61 HydrophobicContact CG2-CG2 4.08Å; L39-I61 HydrophobicContact CB-CG2 4.16Å; K40-I61 HydrophobicContact CB-CD1 4.23Å; K40-I61 HydrophobicContact CD-CD1 4.08Å; K40-I61 HydrophobicContact CG-CD1 4.33Å; F47-I61 HydrophobicContact CZ-CG2 4.18Å; L56-I61 HydrophobicContact CB-CD1 4.23Å; L56-I61 HydrophobicContact CB-CG1 3.82Å; L56-I61 HydrophobicContact CD1-CG1 4.36Å; E57-I61 WeakPolarHBondContact O-CG1 2.97Å; E57-I61 PolarHBondContact O-N 3.47Å; A59-I61 PolarHBondContact O-N 3.13Å; I61-T65 WeakPolarHBondContact O-CB 3.32Å; I61-T65 PolarHBondContact O-N 3.41Å; I61-T65 PolarHBondContact O-OG1 3.24Å
62L96.7Very high89.3Confident82 Ų8286.5 Ų86.543%0.42945%0.446SS..Hα-helixtrans-68.9-45.4-178.9-69.1174.3000112.2I36 L39 K58 A59 D60 T65 V66I36-L62 HydrophobicContact CG1-CD2 4.34Å; L39-L62 HydrophobicContact CD1-CD2 4.35Å; K58-L62 VanDerWaalsContact O-CG 3.3Å; K58-L62 WeakPolarHBondContact O-CG 3.31Å; K58-L62 PolarHBondContact O-N 3.43Å; A59-L62 PolarHBondContact O-N 2.7Å; A59-L62 VanDerWaalsContact O-N 3.16Å; D60-L62 VanDerWaalsContact C-N 3.27Å; D60-L62 PolarHBondContact O-N 3.01Å; L62-T65 PolarHBondContact O-N 2.9Å; L62-V66 VanDerWaalsContact O-CG2 3.32Å; L62-V66 WeakPolarHBondContact O-CG2 3.25Å; L62-V66 PolarHBondContact O-N 2.83Å
63E94.3Very high89.4Confident138 Ų13889.4 Ų89.465%0.64545%0.452SS*.Hα-helixtrans-61.9-50.5-179.7-179.2173-124.900111.5A59 D60 T65 V66 S67A59-E63 PolarHBondContact O-N 3.5Å; D60-E63 PolarHBondContact O-N 3.07Å; E63-T65 VanDerWaalsContact C-N 3.34Å; E63-T65 PolarHBondContact O-N 3.31Å; E63-V66 PolarHBondContact O-N 3.48Å; E63-S67 PolarHBondContact O-N 2.98Å
64M94.3Very high89.4Confident29 Ų2984.6 Ų84.614%0.14344%0.435CS..Hα-helixtrans-65.3-37.6179.9-69.9176.677.300111.6F47 H50 L56 D60 S67 Y68F47-M64 HydrophobicContact CB-CE 4.47Å; F47-M64 HydrophobicContact CD1-CB 4.01Å; F47-M64 HydrophobicContact CD1-CE 3.57Å; F47-M64 HydrophobicContact CD1-SD 3.71Å; F47-M64 HydrophobicContact CE1-CB 3.6Å; F47-M64 HydrophobicContact CE1-CE 4.36Å; F47-M64 HydrophobicContact CE1-SD 4.19Å; F47-M64 HydrophobicContact CG-CE 4.49Å; H50-M64 HydrophobicContact CB-CE 3.39Å; L56-M64 HydrophobicContact CD2-SD 4.29Å; D60-M64 VanDerWaalsContact O-CB 3.26Å; D60-M64 WeakPolarHBondContact O-CB 3.38Å; D60-M64 VanDerWaalsContact O-CG 3.31Å; D60-M64 WeakPolarHBondContact O-CG 3.28Å; D60-M64 PolarHBondContact O-N 3.45Å; M64-S67 PolarHBondContact O-N 2.79Å; M64-Y68 WeakPolarHBondContact O-CB 3.46Å; M64-Y68 PolarHBondContact O-N 3.42Å
65T95.4Very high88.6Confident9 Ų987.7 Ų87.76%0.05544%0.442CS..Hα-helixtrans-60.4-46.4172.7-62.60000111.2L39 L43 I61 L62 E63 S67 Y68 L69L39-T65 HydrophobicContact CD1-CG2 4.13Å; L39-T65 HydrophobicContact CD2-CG2 3.88Å; L43-T65 HydrophobicContact CD1-CG2 3.84Å; L43-T65 WeakPolarHBondContact CD1-OG1 3.32Å; I61-T65 WeakPolarHBondContact O-CB 3.32Å; I61-T65 PolarHBondContact O-N 3.41Å; I61-T65 PolarHBondContact O-OG1 3.24Å; L62-T65 PolarHBondContact O-N 2.9Å; E63-T65 VanDerWaalsContact C-N 3.34Å; E63-T65 PolarHBondContact O-N 3.31Å; T65-S67 VanDerWaalsContact C-N 3.34Å; T65-S67 PolarHBondContact O-N 3.09Å; T65-Y68 PolarHBondContact O-N 3.02Å; T65-L69 HydrophobicContact CG2-CD1 4.03Å; T65-L69 HydrophobicContact CG2-CG 4.41Å; T65-L69 VanDerWaalsContact O-CG 3.32Å; T65-L69 WeakPolarHBondContact O-CG 3.34Å; T65-L69 PolarHBondContact O-N 2.89Å
66V94.9Very high87.3Confident75 Ų7582.4 Ų82.446%0.45543%0.429SS..Hα-helixtrans-63.6-43.2178.61700000110.8L62 E63 L69 K70L62-V66 VanDerWaalsContact O-CG2 3.32Å; L62-V66 WeakPolarHBondContact O-CG2 3.25Å; L62-V66 PolarHBondContact O-N 2.83Å; E63-V66 PolarHBondContact O-N 3.48Å; V66-L69 PolarHBondContact O-N 2.71Å; V66-K70 HydrophobicContact CG1-CD 4.26Å; V66-K70 WeakPolarHBondContact O-CG 3.47Å; V66-K70 PolarHBondContact O-N 2.89Å
67S92.1Very high85.8Confident75 Ų7584.1 Ų84.152%0.52445%0.447SS..Hα-helixtrans-59.1-47.8176.1-169.40000111.4E63 M64 T65 L69 K70 Y71E63-S67 PolarHBondContact O-N 2.98Å; M64-S67 PolarHBondContact O-N 2.79Å; T65-S67 VanDerWaalsContact C-N 3.34Å; T65-S67 PolarHBondContact O-N 3.09Å; S67-L69 PolarHBondContact O-N 3.46Å; S67-K70 PolarHBondContact O-N 3.2Å; S67-Y71 PolarHBondContact O-N 3.49Å
68Y92Very high84Confident87 Ų8779.8 Ų79.834%0.34143%0.431SS..Hα-helixtrans-58.7-46.5176.2174.6-95.9000112.2L43 E46 M64 T65 K70 Y71 S72L43-Y68 HydrophobicContact CD1-CD1 4.19Å; L43-Y68 HydrophobicContact CD1-CG 4.5Å; L43-Y68 HydrophobicContact CD2-CD1 3.48Å; L43-Y68 VanDerWaalsContact CD2-CD1 3.48Å; L43-Y68 HydrophobicContact CD2-CD2 4.31Å; L43-Y68 HydrophobicContact CD2-CE1 3.43Å; L43-Y68 VanDerWaalsContact CD2-CE1 3.43Å; L43-Y68 HydrophobicContact CD2-CE2 4.26Å; L43-Y68 HydrophobicContact CD2-CG 3.93Å; E46-Y68 HydrophobicContact CG-CD2 3.78Å; E46-Y68 HydrophobicContact CG-CE2 3.76Å; M64-Y68 WeakPolarHBondContact O-CB 3.46Å; M64-Y68 PolarHBondContact O-N 3.42Å; T65-Y68 PolarHBondContact O-N 3.02Å; Y68-K70 PolarHBondContact O-N 2.86Å; Y68-Y71 PolarHBondContact O-N 3.36Å; Y68-S72 VanDerWaalsContact O-CB 3.25Å; Y68-S72 WeakPolarHBondContact O-CB 3.32Å; Y68-S72 PolarHBondContact O-N 2.86Å
69L92.2Very high81.9Confident98 Ų9879.1 Ų79.151%0.51344%0.44SS..Hα-helixtrans-66.2-37.8-179.9-70.2175.3000112.4T65 V66 S67 S72 Q73T65-L69 HydrophobicContact CG2-CD1 4.03Å; T65-L69 HydrophobicContact CG2-CG 4.41Å; T65-L69 VanDerWaalsContact O-CG 3.32Å; T65-L69 WeakPolarHBondContact O-CG 3.34Å; T65-L69 PolarHBondContact O-N 2.89Å; V66-L69 PolarHBondContact O-N 2.71Å; S67-L69 PolarHBondContact O-N 3.46Å; L69-S72 PolarHBondContact O-N 2.83Å; L69-Q73 VanDerWaalsContact O-CB 3.28Å; L69-Q73 WeakPolarHBondContact O-CB 3.37Å; L69-Q73 PolarHBondContact O-N 3.45Å
70K89.6Confident80Confident146 Ų14682.7 Ų82.764%0.63544%0.443SS*.Hα-helixtrans-62.5-45.1173.9-75.3178.7176.6-179.20111.4V66 S67 Y68 Q73 A74V66-K70 HydrophobicContact CG1-CD 4.26Å; V66-K70 WeakPolarHBondContact O-CG 3.47Å; V66-K70 PolarHBondContact O-N 2.89Å; S67-K70 PolarHBondContact O-N 3.2Å; Y68-K70 PolarHBondContact O-N 2.86Å; K70-Q73 PolarHBondContact O-N 3.36Å; K70-A74 PolarHBondContact O-N 2.77Å; K70-A74 VanDerWaalsContact O-N 3.07Å
71Y85.8Confident78.3Confident155 Ų15582.5 Ų82.561%0.60845%0.445SS*.Hα-helixtrans-63.5-46.5175.9-177.5-96.8000111.5S67 Y68 Q73 A74 F75S67-Y71 PolarHBondContact O-N 3.49Å; Y68-Y71 PolarHBondContact O-N 3.36Å; Y71-Q73 VanDerWaalsContact C-N 3.34Å; Y71-Q73 PolarHBondContact O-N 2.98Å; Y71-A74 WeakPolarHBondContact O-CB 3.48Å; Y71-A74 PolarHBondContact O-N 2.92Å; Y71-F75 HydrophobicContact CE1-CD2 4.38Å; Y71-F75 WeakPolarHBondContact O-CB 3.34Å; Y71-F75 PolarHBondContact O-N 3.35Å
72S82.3Confident76.8Confident46 Ų4688.8 Ų88.832%0.32248%0.478SS..Hα-helixtrans-61.5-39177.9-176.30000112.4Y68 L69 F75 S76Y68-S72 VanDerWaalsContact O-CB 3.25Å; Y68-S72 WeakPolarHBondContact O-CB 3.32Å; Y68-S72 PolarHBondContact O-N 2.86Å; L69-S72 PolarHBondContact O-N 2.83Å; S72-F75 CarbonylContact O-C 3.52Å; S72-F75 PolarHBondContact O-N 2.98Å; S72-S76 WeakPolarHBondContact O-CB 3.31Å; S72-S76 PolarHBondContact O-N 2.73Å
73Q76.9Confident75.4Confident148 Ų14891.3 Ų91.369%0.69249%0.487SS*.Hα-helixtrans-68.4-39.7176.4-173.8174.15.100111.9L69 K70 Y71 F75 S76 A77L69-Q73 VanDerWaalsContact O-CB 3.28Å; L69-Q73 WeakPolarHBondContact O-CB 3.37Å; L69-Q73 PolarHBondContact O-N 3.45Å; K70-Q73 PolarHBondContact O-N 3.36Å; Y71-Q73 VanDerWaalsContact C-N 3.34Å; Y71-Q73 PolarHBondContact O-N 2.98Å; Q73-F75 VanDerWaalsContact C-N 3.25Å; Q73-F75 PolarHBondContact O-N 2.84Å; Q73-S76 PolarHBondContact O-N 3.4Å; Q73-A77 PolarHBondContact O-N 3.17Å
74A69.9Low74.2Confident70 Ų7089.4 Ų89.458%0.57948%0.478SS*.Hα-helixtrans-61.3-38170.900000111.2K70 Y71 S78K70-A74 PolarHBondContact O-N 2.77Å; K70-A74 VanDerWaalsContact O-N 3.07Å; Y71-A74 WeakPolarHBondContact O-CB 3.48Å; Y71-A74 PolarHBondContact O-N 2.92Å; A74-S78 PolarHBondContact O-N 3.17Å
75F61.1Low73.4Confident124 Ų12492.3 Ų92.354%0.54450%0.495SS..Hα-helixtrans-76-29.1177.3-149.2-90.6000113.5Y71 S72 Q73 S78 S79Y71-F75 HydrophobicContact CE1-CD2 4.38Å; Y71-F75 WeakPolarHBondContact O-CB 3.34Å; Y71-F75 PolarHBondContact O-N 3.35Å; S72-F75 CarbonylContact O-C 3.52Å; S72-F75 PolarHBondContact O-N 2.98Å; Q73-F75 VanDerWaalsContact C-N 3.25Å; Q73-F75 PolarHBondContact O-N 2.84Å; F75-S78 CarbonylContact O-C 3.47Å; F75-S78 WeakPolarHBondContact O-CA 3.47Å; F75-S78 WeakPolarHBondContact O-CB 3.2Å; F75-S78 PolarHBondContact O-N 3.39Å; F75-S79 PolarHBondContact O-N 3.4Å
76S58.9Low73Confident79 Ų7998.5 Ų98.555%0.55252%0.518SS*.Hα-helixtrans-76.4-30174.8178.40000111.8S72 Q73 S78 S79S72-S76 WeakPolarHBondContact O-CB 3.31Å; S72-S76 PolarHBondContact O-N 2.73Å; Q73-S76 PolarHBondContact O-N 3.4Å; S76-S78 PolarHBondContact O-N 3.45Å; S76-S79 WeakPolarHBondContact O-CB 3.26Å; S76-S79 PolarHBondContact O-N 3.03Å
77A56.4Low72.5Confident63 Ų6397.3 Ų97.352%0.52151%0.513SS..Hα-helixtrans-60.5-26.3161.500000111.6Q73 K80Q73-A77 PolarHBondContact O-N 3.17Å; A77-K80 WeakPolarHBondContact O-CB 3.5Å; A77-K80 WeakPolarHBondContact O-CG 3.08Å
78S53.3Low72.2Confident42 Ų4299.2 Ų99.229%0.29451%0.514SS..THydrogen-bonded Turntrans-84.89.8167.1-152.50000113.7A74 F75 S76 K80 S81A74-S78 PolarHBondContact O-N 3.17Å; F75-S78 CarbonylContact O-C 3.47Å; F75-S78 WeakPolarHBondContact O-CA 3.47Å; F75-S78 WeakPolarHBondContact O-CB 3.2Å; F75-S78 PolarHBondContact O-N 3.39Å; S76-S78 PolarHBondContact O-N 3.45Å; S78-K80 PolarHBondContact O-N 3.25Å; S78-S81 VanDerWaalsContact C-N 3.35Å; S78-S81 VanDerWaalsContact O-CA 3.31Å; S78-S81 WeakPolarHBondContact O-CA 3.49Å; S78-S81 WeakPolarHBondContact O-CB 3.35Å; S78-S81 PolarHBondContact O-N 3.16Å; S78-S81 PolarHBondContact O-OG 3.01Å
79S52.2Low72.1Confident90 Ų9097.1 Ų97.163%0.62952%0.518SS*.THydrogen-bonded Turntrans-68.5-11.5157.9-173.30000111.1F75 S76 S81F75-S79 PolarHBondContact O-N 3.4Å; S76-S79 WeakPolarHBondContact O-CB 3.26Å; S76-S79 PolarHBondContact O-N 3.03Å; S79-S81 PolarHBondContact O-N 2.89Å
80K53.7Low71.9Confident140 Ų14093.9 Ų93.961%0.60950%0.499SS*.Hα-helixtrans-62-22.5156.1-65.4178.7-176.1170.10112.2A77 S78 L82 Q83 Q84A77-K80 WeakPolarHBondContact O-CB 3.5Å; A77-K80 WeakPolarHBondContact O-CG 3.08Å; S78-K80 PolarHBondContact O-N 3.25Å; K80-L82 PolarHBondContact O-N 3.31Å; K80-Q83 CarbonylContact O-C 3.44Å; K80-Q83 PolarHBondContact O-N 3.14Å; K80-Q83 VanDerWaalsContact O-N 3.17Å; K80-Q84 HydrophobicContact CB-CG 4.2Å; K80-Q84 VanDerWaalsContact CB-OE1 3.29Å; K80-Q84 WeakPolarHBondContact O-CA 3.5Å; K80-Q84 VanDerWaalsContact O-CB 3.22Å; K80-Q84 WeakPolarHBondContact O-CB 3.39Å; K80-Q84 VanDerWaalsContact O-CG 3.22Å; K80-Q84 WeakPolarHBondContact O-CG 3.4Å; K80-Q84 PolarHBondContact O-N 2.98Å
81S58.3Low71.9Confident33 Ų3389.4 Ų89.423%0.23149%0.49CS..Hα-helixtrans-54.5-51.6179.5640000111.4S78 S79 Q83 Q84 D85S78-S81 VanDerWaalsContact C-N 3.35Å; S78-S81 VanDerWaalsContact O-CA 3.31Å; S78-S81 WeakPolarHBondContact O-CA 3.49Å; S78-S81 WeakPolarHBondContact O-CB 3.35Å; S78-S81 PolarHBondContact O-N 3.16Å; S78-S81 PolarHBondContact O-OG 3.01Å; S79-S81 PolarHBondContact O-N 2.89Å; S81-Q83 VanDerWaalsContact C-N 3.27Å; S81-Q83 PolarHBondContact O-N 3.42Å; S81-Q83 VanDerWaalsContact O-N 3.13Å; S81-Q84 CarbonylContact O-C 3.08Å; S81-Q84 WeakPolarHBondContact O-CA 3.3Å; S81-Q84 PolarHBondContact O-N 3.29Å; S81-D85 WeakPolarHBondContact O-CA 3.47Å; S81-D85 WeakPolarHBondContact O-CB 3.33Å; S81-D85 PolarHBondContact O-N 3.47Å
82L62Low72.2Confident136 Ų13689.2 Ų89.271%0.71249%0.488SS*.Hα-helixtrans-58.2-37.4180-102.3169.5000114.1K80 Y86K80-L82 PolarHBondContact O-N 3.31Å; L82-Y86 WeakPolarHBondContact O-CB 3.49Å; L82-Y86 PolarHBondContact O-N 3.15Å; L82-Y86 VanDerWaalsContact O-N 3.12Å
83Q68.4Low72.6Confident134 Ų13490.9 Ų90.963%0.62650%0.499SS*.Hα-helixtrans-76.2-33.2173.2-84.8-74.4-64.600112.6K80 S81 S87K80-Q83 CarbonylContact O-C 3.44Å; K80-Q83 PolarHBondContact O-N 3.14Å; K80-Q83 VanDerWaalsContact O-N 3.17Å; S81-Q83 VanDerWaalsContact C-N 3.27Å; S81-Q83 PolarHBondContact O-N 3.42Å; S81-Q83 VanDerWaalsContact O-N 3.13Å; Q83-S87 VanDerWaalsContact O-CB 3.23Å; Q83-S87 WeakPolarHBondContact O-CB 3.34Å; Q83-S87 PolarHBondContact O-N 3.42Å; Q83-S87 PolarHBondContact O-OG 3.01Å
84Q69.2Low73.1Confident99 Ų9985.4 Ų85.446%0.46347%0.474SS..Hα-helixtrans-70.2-49.7176-77.4178.6-7000110.5K80 S81 Y86 S87 E88K80-Q84 HydrophobicContact CB-CG 4.2Å; K80-Q84 VanDerWaalsContact CB-OE1 3.29Å; K80-Q84 WeakPolarHBondContact O-CA 3.5Å; K80-Q84 VanDerWaalsContact O-CB 3.22Å; K80-Q84 WeakPolarHBondContact O-CB 3.39Å; K80-Q84 VanDerWaalsContact O-CG 3.22Å; K80-Q84 WeakPolarHBondContact O-CG 3.4Å; K80-Q84 PolarHBondContact O-N 2.98Å; S81-Q84 CarbonylContact O-C 3.08Å; S81-Q84 WeakPolarHBondContact O-CA 3.3Å; S81-Q84 PolarHBondContact O-N 3.29Å; Q84-Y86 VanDerWaalsContact C-N 3.32Å; Q84-Y86 PolarHBondContact O-N 2.63Å; Q84-S87 WeakPolarHBondContact CA-OG 3.37Å; Q84-S87 CarbonylContact O-C 3.54Å; Q84-S87 PolarHBondContact O-N 3.33Å; Q84-S87 VanDerWaalsContact O-N 3.07Å; Q84-S87 PolarHBondContact O-OG 2.93Å; Q84-E88 WeakPolarHBondContact O-CB 3.33Å; Q84-E88 PolarHBondContact O-N 3.46Å
85D77.9Confident74Confident90 Ų9087.6 Ų87.648%0.48147%0.47SS..Hα-helixtrans-54.7-45.2172-59.1-12.9000110.7S81 G89S81-D85 WeakPolarHBondContact O-CA 3.47Å; S81-D85 WeakPolarHBondContact O-CB 3.33Å; S81-D85 PolarHBondContact O-N 3.47Å; D85-G89 PolarHBondContact O-N 3.25Å
86Y85.4Confident75.4Confident138 Ų13886.3 Ų86.354%0.54147%0.466SS..Hα-helixtrans-63.3-48.4172.2176.7-95.8000111.8L82 Q84 E88 G89 Y90L82-Y86 WeakPolarHBondContact O-CB 3.49Å; L82-Y86 PolarHBondContact O-N 3.15Å; L82-Y86 VanDerWaalsContact O-N 3.12Å; Q84-Y86 VanDerWaalsContact C-N 3.32Å; Q84-Y86 PolarHBondContact O-N 2.63Å; Y86-E88 VanDerWaalsContact C-N 3.28Å; Y86-E88 PolarHBondContact O-N 3.21Å; Y86-G89 PolarHBondContact O-N 3.18Å; Y86-Y90 WeakPolarHBondContact O-CB 3.37Å; Y86-Y90 PolarHBondContact O-N 3.47Å
87S85.1Confident76.8Confident51 Ų5183.9 Ų83.936%0.35745%0.451SS..Hα-helixtrans-63.7-34.8-178.973.90000112.6Q83 Q84 A91Q83-S87 VanDerWaalsContact O-CB 3.23Å; Q83-S87 WeakPolarHBondContact O-CB 3.34Å; Q83-S87 PolarHBondContact O-N 3.42Å; Q83-S87 PolarHBondContact O-OG 3.01Å; Q84-S87 WeakPolarHBondContact CA-OG 3.37Å; Q84-S87 CarbonylContact O-C 3.54Å; Q84-S87 PolarHBondContact O-N 3.33Å; Q84-S87 VanDerWaalsContact O-N 3.07Å; Q84-S87 PolarHBondContact O-OG 2.93Å; S87-A91 VanDerWaalsContact O-CB 3.3Å; S87-A91 WeakPolarHBondContact O-CB 3.42Å; S87-A91 PolarHBondContact O-N 3.27Å
88E86.1Confident78.2Confident115 Ų11583.7 Ų83.754%0.53744%0.441SS..Hα-helixtrans-73.2-48.2178.2-178.7170.5-165.900110.4Q84 Y86 Y90 A91 W92Q84-E88 WeakPolarHBondContact O-CB 3.33Å; Q84-E88 PolarHBondContact O-N 3.46Å; Y86-E88 VanDerWaalsContact C-N 3.28Å; Y86-E88 PolarHBondContact O-N 3.21Å; E88-Y90 VanDerWaalsContact C-N 3.3Å; E88-Y90 PolarHBondContact O-N 3.21Å; E88-A91 PolarHBondContact O-N 3.13Å; E88-W92 PolarHBondContact O-N 3.29Å
89G89Confident79.8Confident42 Ų4286.1 Ų86.143%0.43345%0.447SS..Hα-helixtrans-61-39.1174.200000112.5D85 Y86 W92 C93D85-G89 PolarHBondContact O-N 3.25Å; Y86-G89 PolarHBondContact O-N 3.18Å; G89-W92 PolarHBondContact O-N 3.39Å; G89-C93 WeakPolarHBondContact O-CB 3.48Å; G89-C93 PolarHBondContact O-N 2.92Å
90Y89.2Confident81.5Confident30 Ų3087.6 Ų87.612%0.11844%0.443CS..Hα-helixtrans-64.1-45.9173.5178.2-82.6000111.9Y86 E88 W92 C93 L94 F118 S121 Q122Y86-Y90 WeakPolarHBondContact O-CB 3.37Å; Y86-Y90 PolarHBondContact O-N 3.47Å; E88-Y90 VanDerWaalsContact C-N 3.3Å; E88-Y90 PolarHBondContact O-N 3.21Å; Y90-W92 VanDerWaalsContact C-N 3.3Å; Y90-W92 PolarHBondContact O-N 3.31Å; Y90-C93 PolarHBondContact O-N 3.09Å; Y90-L94 HydrophobicContact CE1-CD2 4.37Å; Y90-L94 WeakPolarHBondContact O-CB 3.48Å; Y90-L94 PolarHBondContact O-N 3.47Å; Y90-F118 AromaticContact CE2-CD1 3.99Å; Y90-F118 HydrophobicContact CE2-CD1 3.99Å; Y90-F118 HydrophobicContact CE2-CE1 4.44Å; Y90-F118 AromaticContact CZ-CD1 3.66Å; Y90-F118 VanDerWaalsContact OH-C 3.26Å; Y90-F118 WeakPolarHBondContact OH-CA 3.37Å; Y90-F118 VanDerWaalsContact OH-CB 3.26Å; Y90-F118 WeakPolarHBondContact OH-CB 3.42Å; Y90-F118 WeakPolarHBondContact OH-CD1 3.36Å; Y90-F118 PolarHBondContact OH-O 3.4Å; Y90-S121 PolarHBondContact OH-OG 3.4Å; Y90-Q122 VanDerWaalsContact CD1-NE2 3.29Å; Y90-Q122 HydrophobicContact CE1-CG 3.87Å
91A88.7Confident82.9Confident53 Ų5382.4 Ų82.444%0.43842%0.421SS..Hα-helixtrans-62.2-39.3178.200000111.8S87 E88 L94 K95S87-A91 VanDerWaalsContact O-CB 3.3Å; S87-A91 WeakPolarHBondContact O-CB 3.42Å; S87-A91 PolarHBondContact O-N 3.27Å; E88-A91 PolarHBondContact O-N 3.13Å; A91-L94 PolarHBondContact O-N 3.41Å; A91-K95 WeakPolarHBondContact O-CB 3.36Å; A91-K95 PolarHBondContact O-N 3.03Å
92W91.6Very high84.1Confident150 Ų15084.9 Ų84.957%0.56844%0.439SS*.Hα-helixtrans-62-49.6173.1-95.9105.1000112.6E88 G89 Y90 L94 K95 E96E88-W92 PolarHBondContact O-N 3.29Å; G89-W92 PolarHBondContact O-N 3.39Å; Y90-W92 VanDerWaalsContact C-N 3.3Å; Y90-W92 PolarHBondContact O-N 3.31Å; W92-L94 VanDerWaalsContact C-N 3.32Å; W92-L94 PolarHBondContact O-N 3.22Å; W92-K95 PolarHBondContact O-N 3.08Å; W92-E96 PolarHBondContact O-N 3.36Å
93C90.4Very high85.2Confident82 Ų8284.9 Ų84.955%0.55444%0.439SS*.Hα-helixtrans-57.9-44.9176.6-179.70000111.7G89 Y90 E96 A97G89-C93 WeakPolarHBondContact O-CB 3.48Å; G89-C93 PolarHBondContact O-N 2.92Å; Y90-C93 PolarHBondContact O-N 3.09Å; C93-E96 PolarHBondContact O-N 3.47Å; C93-A97 WeakPolarHBondContact O-CB 3.46Å; C93-A97 PolarHBondContact O-N 2.95Å
94L88.3Confident85.7Confident32 Ų3284.3 Ų84.317%0.16844%0.436CS..Hα-helixtrans-61.1-47.117717758.3000111.8Y90 A91 W92 E96 A97 L98 F118Y90-L94 HydrophobicContact CE1-CD2 4.37Å; Y90-L94 WeakPolarHBondContact O-CB 3.48Å; Y90-L94 PolarHBondContact O-N 3.47Å; A91-L94 PolarHBondContact O-N 3.41Å; W92-L94 VanDerWaalsContact C-N 3.32Å; W92-L94 PolarHBondContact O-N 3.22Å; L94-E96 VanDerWaalsContact C-N 3.33Å; L94-E96 PolarHBondContact O-N 2.96Å; L94-A97 PolarHBondContact O-N 3.36Å; L94-L98 HydrophobicContact CD1-CD1 4.02Å; L94-L98 HydrophobicContact CD1-CG 4.08Å; L94-L98 HydrophobicContact CG-CD1 4.07Å; L94-L98 WeakPolarHBondContact O-CB 3.43Å; L94-L98 VanDerWaalsContact O-CG 3.28Å; L94-L98 WeakPolarHBondContact O-CG 3.45Å; L94-L98 PolarHBondContact O-N 3.47Å; L94-F118 HydrophobicContact CD1-CB 3.95Å; L94-F118 HydrophobicContact CD1-CD1 4.32Å; L94-F118 HydrophobicContact CD1-CD2 3.22Å; L94-F118 HydrophobicContact CD1-CE2 3.59Å; L94-F118 HydrophobicContact CD1-CG 3.61Å; L94-F118 HydrophobicContact CD1-CZ 4.3Å; L94-F118 HydrophobicContact CD2-CB 4.3Å
95K89.1Confident85.6Confident116 Ų11684.9 Ų84.950%0.50445%0.451SS..Hα-helixtrans-58-47178.1-178.5-173.6173.6-170.30111A91 W92 L98 Q99A91-K95 WeakPolarHBondContact O-CB 3.36Å; A91-K95 PolarHBondContact O-N 3.03Å; W92-K95 PolarHBondContact O-N 3.08Å; K95-L98 PolarHBondContact O-N 3.28Å; K95-Q99 WeakPolarHBondContact O-CB 3.37Å; K95-Q99 PolarHBondContact O-N 3.42Å
96E90.4Very high85Confident98 Ų9881.9 Ų81.946%0.45844%0.439SS..Hα-helixtrans-65.2-43179.7-163.761.5-140.500111.6W92 C93 L94 L98 Q99 F100W92-E96 PolarHBondContact O-N 3.36Å; C93-E96 PolarHBondContact O-N 3.47Å; L94-E96 VanDerWaalsContact C-N 3.33Å; L94-E96 PolarHBondContact O-N 2.96Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 3Å; E96-Q99 PolarHBondContact O-N 3.23Å; E96-F100 WeakPolarHBondContact O-CB 3.24Å; E96-F100 PolarHBondContact O-N 3.33Å
97A87.8Confident84.7Confident28 Ų2880 Ų8023%0.23144%0.438CS..Hα-helixtrans-60.1-43.1175.600000111.8C93 L94 L101C93-A97 WeakPolarHBondContact O-CB 3.46Å; C93-A97 PolarHBondContact O-N 2.95Å; L94-A97 PolarHBondContact O-N 3.36Å; A97-L101 WeakPolarHBondContact O-CB 3.32Å; A97-L101 WeakPolarHBondContact O-CD1 3.45Å; A97-L101 WeakPolarHBondContact O-CG 3.37Å; A97-L101 PolarHBondContact O-N 2.89Å; A97-L101 VanDerWaalsContact O-N 3.08Å
98L86Confident84.5Confident58 Ų5886 Ų8630%0.30446%0.457SS..Hα-helixtrans-66.6-40.1176.2-69.2174.1000111.9L94 K95 E96 L101 S102 L115L94-L98 HydrophobicContact CD1-CD1 4.02Å; L94-L98 HydrophobicContact CD1-CG 4.08Å; L94-L98 HydrophobicContact CG-CD1 4.07Å; L94-L98 WeakPolarHBondContact O-CB 3.43Å; L94-L98 VanDerWaalsContact O-CG 3.28Å; L94-L98 WeakPolarHBondContact O-CG 3.45Å; L94-L98 PolarHBondContact O-N 3.47Å; K95-L98 PolarHBondContact O-N 3.28Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 3Å; L98-L101 PolarHBondContact O-N 2.71Å; L98-S102 WeakPolarHBondContact O-CB 3.19Å; L98-S102 PolarHBondContact O-N 2.99Å; L98-L115 HydrophobicContact CD1-CD1 4.3Å
99Q87.4Confident84.3Confident93 Ų9385.6 Ų85.644%0.43546%0.456SS..Hα-helixtrans-63.1-46176.9-178.7172.7-24.600111.6K95 E96 L101 S102 L103K95-Q99 WeakPolarHBondContact O-CB 3.37Å; K95-Q99 PolarHBondContact O-N 3.42Å; E96-Q99 PolarHBondContact O-N 3.23Å; Q99-L101 PolarHBondContact O-N 3.28Å; Q99-S102 PolarHBondContact O-N 2.86Å; Q99-L103 PolarHBondContact O-N 3.35Å
100F87.3Confident83.9Confident122 Ų12287.2 Ų87.254%0.53546%0.457SS..Hα-helixtrans-58.2-46.7175.4179-94.7000111.8E96 S102 L103 H104E96-F100 WeakPolarHBondContact O-CB 3.24Å; E96-F100 PolarHBondContact O-N 3.33Å; F100-S102 VanDerWaalsContact C-N 3.29Å; F100-S102 PolarHBondContact O-N 3.46Å; F100-L103 PolarHBondContact O-N 2.88Å; F100-H104 AromaticContact CD2-CD2 3.84Å; F100-H104 AromaticContact CE2-CD2 3.46Å; F100-H104 VanDerWaalsContact CE2-CD2 3.46Å; F100-H104 WeakPolarHBondContact CE2-CD2 3.4Å; F100-H104 AromaticContact CE2-NE2 3.64Å; F100-H104 AromaticContact CZ-CD2 3.67Å; F100-H104 PolarHBondContact O-N 3.5Å
101L84.2Confident83.4Confident30 Ų3088.1 Ų88.116%0.15746%0.463CS..Hα-helixtrans-66.2-31.9179.1-68.8169.5000112.7A97 L98 Q99 S105 A106 Q111 L114A97-L101 WeakPolarHBondContact O-CB 3.32Å; A97-L101 WeakPolarHBondContact O-CD1 3.45Å; A97-L101 WeakPolarHBondContact O-CG 3.37Å; A97-L101 PolarHBondContact O-N 2.89Å; A97-L101 VanDerWaalsContact O-N 3.08Å; L98-L101 PolarHBondContact O-N 2.71Å; Q99-L101 PolarHBondContact O-N 3.28Å; L101-S105 PolarHBondContact O-N 3.29Å; L101-A106 HydrophobicContact CB-CB 3.99Å; L101-A106 HydrophobicContact CD2-CB 3.54Å; L101-A106 HydrophobicContact CG-CB 4.36Å; L101-A106 WeakPolarHBondContact O-CB 2.91Å; L101-A106 PolarHBondContact O-N 3.03Å; L101-A106 VanDerWaalsContact O-N 3.1Å; L101-Q111 VanDerWaalsContact C-NE2 3.33Å; L101-Q111 HydrophobicContact CB-CG 4.1Å; L101-Q111 HydrophobicContact CD1-CG 4.39Å; L101-Q111 PolarHBondContact O-NE2 2.82Å; L101-Q111 VanDerWaalsContact O-NE2 3.09Å; L101-L114 HydrophobicContact CD1-CD2 3.4Å; L101-L114 VanDerWaalsContact CD1-CD2 3.4Å
102S83.3Confident83.2Confident86 Ų8691.2 Ų91.260%0.60147%0.469SS*.Hα-helixtrans-71.3-39.9175.3-171.30000111.8L98 Q99 F100L98-S102 WeakPolarHBondContact O-CB 3.19Å; L98-S102 PolarHBondContact O-N 2.99Å; Q99-S102 PolarHBondContact O-N 2.86Å; F100-S102 VanDerWaalsContact C-N 3.29Å; F100-S102 PolarHBondContact O-N 3.46Å
103L83.8Confident82.9Confident135 Ų13590.3 Ų90.371%0.70747%0.47SS*.Hα-helixtrans-67.3-36.9177.2-109.670000112.3Q99 F100Q99-L103 PolarHBondContact O-N 3.35Å; F100-L103 PolarHBondContact O-N 2.88Å
104H78.8Confident82.5Confident122 Ų12289 Ų8957%0.56546%0.457SS*.THydrogen-bonded Turntrans-9314.2-175.6-81.1-81.1000114.7F100 A106F100-H104 AromaticContact CD2-CD2 3.84Å; F100-H104 AromaticContact CE2-CD2 3.46Å; F100-H104 VanDerWaalsContact CE2-CD2 3.46Å; F100-H104 WeakPolarHBondContact CE2-CD2 3.4Å; F100-H104 AromaticContact CE2-NE2 3.64Å; F100-H104 AromaticContact CZ-CD2 3.67Å; F100-H104 PolarHBondContact O-N 3.5Å; H104-A106 PolarHBondContact O-N 3.37Å
105S67.9Low82.3Confident112 Ų11290 Ų9078%0.78346%0.462SS*.THydrogen-bonded Turntrans50.439.3179.861.60000113.6L101L101-S105 PolarHBondContact O-N 3.29Å
106A65.8Low82.1Confident26 Ų2687 Ų8722%0.21546%0.455CS..  trans-59145.3178.100000110.6L101 H104 K108 Q111L101-A106 HydrophobicContact CB-CB 3.99Å; L101-A106 HydrophobicContact CD2-CB 3.54Å; L101-A106 HydrophobicContact CG-CB 4.36Å; L101-A106 WeakPolarHBondContact O-CB 2.91Å; L101-A106 PolarHBondContact O-N 3.03Å; L101-A106 VanDerWaalsContact O-N 3.1Å; H104-A106 PolarHBondContact O-N 3.37Å; A106-K108 PolarHBondContact O-N 2.89Å; A106-Q111 HydrophobicContact CB-CG 4.32Å
107N79.2Confident81.8Confident98 Ų9888.3 Ų88.352%0.52446%0.461SS..  trans-50.2126.2178.6-177.4-13.6000110.1E109 T110 Q111N107-E109 PolarHBondContact O-N 3.19Å; N107-E109 VanDerWaalsContact O-N 3.09Å; N107-E109 WeakPolarHBondContact OD1-CB 3.47Å; N107-E109 PolarHBondContact OD1-N 2.99Å; N107-T110 WeakPolarHBondContact O-CA 3.44Å; N107-T110 WeakPolarHBondContact O-CB 3.28Å; N107-T110 PolarHBondContact O-N 2.92Å; N107-Q111 PolarHBondContact O-N 3.26Å; N107-Q111 VanDerWaalsContact O-N 3.12Å
108K80.2Confident81.5Confident177 Ų17788.8 Ų88.877%0.7746%0.458SS*.Hα-helixtrans-53.8-31.4-179.4-65.3-176.7179.5178.60112.3A106 Q111 M112A106-K108 PolarHBondContact O-N 2.89Å; K108-Q111 PolarHBondContact O-N 3.02Å; K108-M112 WeakPolarHBondContact O-CB 3.24Å; K108-M112 PolarHBondContact O-N 3.02Å
109E81.9Confident81.3Confident108 Ų10891.8 Ų91.851%0.50547%0.47SS..Hα-helixtrans-67.2-41.5176.5-165-171.9155.700112.2N107 M112 K113N107-E109 PolarHBondContact O-N 3.19Å; N107-E109 VanDerWaalsContact O-N 3.09Å; N107-E109 WeakPolarHBondContact OD1-CB 3.47Å; N107-E109 PolarHBondContact OD1-N 2.99Å; E109-M112 PolarHBondContact O-N 2.98Å; E109-K113 HydrophobicContact CG-CD 4.43Å; E109-K113 WeakPolarHBondContact O-CB 3.49Å; E109-K113 WeakPolarHBondContact O-CG 3.46Å; E109-K113 PolarHBondContact O-N 3.47Å; E109-K113 WeakPolarHBondContact OE1-CE 3.45Å; E109-K113 IonicContact OE1-NZ 3.9Å; E109-K113 PolarHBondContact OE1-NZ 3.48Å
110T80.3Confident81Confident76 Ų7696 Ų9647%0.46648%0.482SS..Hα-helixtrans-66.6-40.5176.4-56.10000111N107 M112 K113 L114N107-T110 WeakPolarHBondContact O-CA 3.44Å; N107-T110 WeakPolarHBondContact O-CB 3.28Å; N107-T110 PolarHBondContact O-N 2.92Å; T110-M112 PolarHBondContact O-N 3.11Å; T110-K113 PolarHBondContact O-N 3.43Å; T110-L114 VanDerWaalsContact O-CB 3.3Å; T110-L114 WeakPolarHBondContact O-CB 3.41Å; T110-L114 PolarHBondContact O-N 3.35Å
111Q79.9Confident80.1Confident49 Ų4992.9 Ų92.923%0.22948%0.475CS..Hα-helixtrans-60.4-45.1174.4-68.6-178.1-21.800111.7L101 A106 N107 K108 L114 L115L101-Q111 VanDerWaalsContact C-NE2 3.33Å; L101-Q111 HydrophobicContact CB-CG 4.1Å; L101-Q111 HydrophobicContact CD1-CG 4.39Å; L101-Q111 PolarHBondContact O-NE2 2.82Å; L101-Q111 VanDerWaalsContact O-NE2 3.09Å; A106-Q111 HydrophobicContact CB-CG 4.32Å; N107-Q111 PolarHBondContact O-N 3.26Å; N107-Q111 VanDerWaalsContact O-N 3.12Å; K108-Q111 PolarHBondContact O-N 3.02Å; Q111-L114 PolarHBondContact O-N 3.42Å; Q111-L115 WeakPolarHBondContact O-CB 3.27Å; Q111-L115 PolarHBondContact O-N 3.25Å
112M83.3Confident79.3Confident117 Ų11796.2 Ų96.258%0.57649%0.49SS*.Hα-helixtrans-65.8-43.9178.8-17162.170.500112.2K108 E109 T110 L114 L115 C116K108-M112 WeakPolarHBondContact O-CB 3.24Å; K108-M112 PolarHBondContact O-N 3.02Å; E109-M112 PolarHBondContact O-N 2.98Å; T110-M112 PolarHBondContact O-N 3.11Å; M112-L114 VanDerWaalsContact C-N 3.29Å; M112-L114 PolarHBondContact O-N 2.91Å; M112-L115 PolarHBondContact O-N 3.22Å; M112-C116 WeakPolarHBondContact O-CB 3.38Å; M112-C116 PolarHBondContact O-N 2.97Å; M112-C116 PolarHBondContact O-SG 3.19Å
113K85Confident78.1Confident132 Ų13295.4 Ų95.457%0.57449%0.489SS*.Hα-helixtrans-59.7-41.8176.1-78.5171.6171.9167.20111.6E109 T110 H117E109-K113 HydrophobicContact CG-CD 4.43Å; E109-K113 WeakPolarHBondContact O-CB 3.49Å; E109-K113 WeakPolarHBondContact O-CG 3.46Å; E109-K113 PolarHBondContact O-N 3.47Å; E109-K113 WeakPolarHBondContact OE1-CE 3.45Å; E109-K113 IonicContact OE1-NZ 3.9Å; E109-K113 PolarHBondContact OE1-NZ 3.48Å; T110-K113 PolarHBondContact O-N 3.43Å; K113-H117 PolarHBondContact O-N 3.42Å
114L82.8Confident76.7Confident54 Ų5495.2 Ų95.228%0.28349%0.487SS..Hα-helixtrans-67-44.8178.6-171.867.4000111.7L101 T110 Q111 M112 C116 H117 F118L101-L114 HydrophobicContact CD1-CD2 3.4Å; L101-L114 VanDerWaalsContact CD1-CD2 3.4Å; T110-L114 VanDerWaalsContact O-CB 3.3Å; T110-L114 WeakPolarHBondContact O-CB 3.41Å; T110-L114 PolarHBondContact O-N 3.35Å; Q111-L114 PolarHBondContact O-N 3.42Å; M112-L114 VanDerWaalsContact C-N 3.29Å; M112-L114 PolarHBondContact O-N 2.91Å; L114-C116 VanDerWaalsContact C-N 3.35Å; L114-C116 PolarHBondContact O-N 3.33Å; L114-H117 WeakPolarHBondContact O-CB 3.4Å; L114-H117 PolarHBondContact O-N 2.96Å; L114-H117 VanDerWaalsContact O-N 3.14Å; L114-F118 HydrophobicContact CD1-CD2 4.03Å; L114-F118 HydrophobicContact CD1-CE2 3.49Å; L114-F118 VanDerWaalsContact CD1-CE2 3.49Å; L114-F118 HydrophobicContact CD1-CZ 4.15Å; L114-F118 HydrophobicContact CD2-CE2 3.81Å; L114-F118 HydrophobicContact CG-CD2 3.72Å; L114-F118 HydrophobicContact CG-CE2 3.37Å; L114-F118 HydrophobicContact CG-CZ 4.43Å; L114-F118 WeakPolarHBondContact O-CD2 3.37Å; L114-F118 PolarHBondContact O-N 3.12Å
115L83.6Confident75.2Confident52 Ų5294.7 Ų94.727%0.27250%0.495SS..Hα-helixtrans-59.9-44.3176.3-173.466.2000111.9L98 Q111 M112 H117 F118 Q119L98-L115 HydrophobicContact CD1-CD1 4.3Å; Q111-L115 WeakPolarHBondContact O-CB 3.27Å; Q111-L115 PolarHBondContact O-N 3.25Å; M112-L115 PolarHBondContact O-N 3.22Å; L115-H117 VanDerWaalsContact C-N 3.31Å; L115-H117 PolarHBondContact O-N 2.95Å; L115-F118 PolarHBondContact O-N 3.19Å; L115-Q119 WeakPolarHBondContact O-CG 3.48Å; L115-Q119 PolarHBondContact O-N 3.05Å
116C84.4Confident74.4Confident54 Ų5499 Ų9937%0.36550%0.499SS..Hα-helixtrans-61.1-37.3174.9-78.40000112.7M112 L114 R120M112-C116 WeakPolarHBondContact O-CB 3.38Å; M112-C116 PolarHBondContact O-N 2.97Å; M112-C116 PolarHBondContact O-SG 3.19Å; L114-C116 VanDerWaalsContact C-N 3.35Å; L114-C116 PolarHBondContact O-N 3.33Å; C116-R120 WeakPolarHBondContact O-CB 3.36Å; C116-R120 PolarHBondContact O-N 3.38Å; C116-R120 PolarHBondContact O-NH1 3.4Å
117H84.6Confident73.9Confident126 Ų126104.9 Ų104.958%0.58353%0.527SS*.Hα-helixtrans-66.7-46.4176.7-176.4-88.8000111.3K113 L114 L115 R120 S121K113-H117 PolarHBondContact O-N 3.42Å; L114-H117 WeakPolarHBondContact O-CB 3.4Å; L114-H117 PolarHBondContact O-N 2.96Å; L114-H117 VanDerWaalsContact O-N 3.14Å; L115-H117 VanDerWaalsContact C-N 3.31Å; L115-H117 PolarHBondContact O-N 2.95Å; H117-R120 PolarHBondContact O-N 2.97Å; H117-S121 PolarHBondContact O-N 2.98Å; H117-S121 VanDerWaalsContact O-N 3.09Å
118F81.9Confident72.1Confident38 Ų38105.8 Ų105.817%0.16754%0.541CS..Hα-helixtrans-63.7-45.4178.5-75.2-62.5000112.1Y90 L94 L114 L115 R120 S121 Q122Y90-F118 AromaticContact CE2-CD1 3.99Å; Y90-F118 HydrophobicContact CE2-CD1 3.99Å; Y90-F118 HydrophobicContact CE2-CE1 4.44Å; Y90-F118 AromaticContact CZ-CD1 3.66Å; Y90-F118 VanDerWaalsContact OH-C 3.26Å; Y90-F118 WeakPolarHBondContact OH-CA 3.37Å; Y90-F118 VanDerWaalsContact OH-CB 3.26Å; Y90-F118 WeakPolarHBondContact OH-CB 3.42Å; Y90-F118 WeakPolarHBondContact OH-CD1 3.36Å; Y90-F118 PolarHBondContact OH-O 3.4Å; L94-F118 HydrophobicContact CD1-CB 3.95Å; L94-F118 HydrophobicContact CD1-CD1 4.32Å; L94-F118 HydrophobicContact CD1-CD2 3.22Å; L94-F118 HydrophobicContact CD1-CE2 3.59Å; L94-F118 HydrophobicContact CD1-CG 3.61Å; L94-F118 HydrophobicContact CD1-CZ 4.3Å; L94-F118 HydrophobicContact CD2-CB 4.3Å; L114-F118 HydrophobicContact CD1-CD2 4.03Å; L114-F118 HydrophobicContact CD1-CE2 3.49Å; L114-F118 VanDerWaalsContact CD1-CE2 3.49Å; L114-F118 HydrophobicContact CD1-CZ 4.15Å; L114-F118 HydrophobicContact CD2-CE2 3.81Å; L114-F118 HydrophobicContact CG-CD2 3.72Å; L114-F118 HydrophobicContact CG-CE2 3.37Å; L114-F118 HydrophobicContact CG-CZ 4.43Å; L114-F118 WeakPolarHBondContact O-CD2 3.37Å; L114-F118 PolarHBondContact O-N 3.12Å; L115-F118 PolarHBondContact O-N 3.19Å; F118-R120 VanDerWaalsContact C-N 3.28Å; F118-R120 PolarHBondContact O-N 2.93Å; F118-S121 PolarHBondContact O-N 3.37Å; F118-S121 VanDerWaalsContact O-N 3.15Å; F118-S121 PolarHBondContact O-OG 2.96Å; F118-Q122 PolarHBondContact O-N 2.91Å
119Q81.5Confident70.4Confident121 Ų121101.3 Ų101.357%0.56555%0.546SS*.Hα-helixtrans-60.3-35.6175.9-72.4176.3-9.100113.2L115 Q122L115-Q119 WeakPolarHBondContact O-CG 3.48Å; L115-Q119 PolarHBondContact O-N 3.05Å; Q119-Q122 PolarHBondContact O-N 2.67Å
120R80.8Confident68.7Low181 Ų181101.1 Ų101.168%0.68356%0.556SS**Hα-helixtrans-70.8-34.7176.9-175.8170.1-74.1101.4-1.3112.7C116 H117 F118 Q122 A123C116-R120 WeakPolarHBondContact O-CB 3.36Å; C116-R120 PolarHBondContact O-N 3.38Å; C116-R120 PolarHBondContact O-NH1 3.4Å; H117-R120 PolarHBondContact O-N 2.97Å; F118-R120 VanDerWaalsContact C-N 3.28Å; F118-R120 PolarHBondContact O-N 2.93Å; R120-Q122 VanDerWaalsContact C-N 3.27Å; R120-Q122 PolarHBondContact O-N 2.79Å; R120-A123 PolarHBondContact O-N 3.47Å
121S69.1Low66.5Low56 Ų56103 Ų10339%0.39257%0.572SS.*Hα-helixtrans-68.5-22.8177.463.60000114.1Y90 H117 F118 A123Y90-S121 PolarHBondContact OH-OG 3.4Å; H117-S121 PolarHBondContact O-N 2.98Å; H117-S121 VanDerWaalsContact O-N 3.09Å; F118-S121 PolarHBondContact O-N 3.37Å; F118-S121 VanDerWaalsContact O-N 3.15Å; F118-S121 PolarHBondContact O-OG 2.96Å; S121-A123 VanDerWaalsContact C-N 3.34Å
122Q66.9Low64.3Low100 Ų100105.9 Ų105.947%0.46760%0.598SS.*THydrogen-bonded Turntrans-80.1-15.5174.9-68-80.840.200113.1Y90 F118 Q119 R120 I124Y90-Q122 VanDerWaalsContact CD1-NE2 3.29Å; Y90-Q122 HydrophobicContact CE1-CG 3.87Å; F118-Q122 PolarHBondContact O-N 2.91Å; Q119-Q122 PolarHBondContact O-N 2.67Å; R120-Q122 VanDerWaalsContact C-N 3.27Å; R120-Q122 PolarHBondContact O-N 2.79Å; Q122-I124 PolarHBondContact O-N 2.98Å
123A59.3Low62Low70 Ų70108.3 Ų108.358%0.57961%0.61SS**  trans-89.970.1177.900000110.4R120 S121 P125R120-A123 PolarHBondContact O-N 3.47Å; S121-A123 VanDerWaalsContact C-N 3.34Å; A123-P125 WeakPolarHBondContact O-CD 3.12Å
124I53.3Low60Low130 Ų130107.3 Ų107.367%0.66762%0.617SS**  trans-71122.7166.3-63.9168.3000107.6Q122 K126Q122-I124 PolarHBondContact O-N 2.98Å; I124-K126 PolarHBondContact O-N 2.91Å; I124-K126 VanDerWaalsContact O-N 3.17Å
125P47.5Very low57.5Low111 Ų111111.3 Ų111.372%0.72164%0.644SS**  trans-64.8117.6170.1-11.626.3000108.4A123 D127A123-P125 WeakPolarHBondContact O-CD 3.12Å; P125-D127 PolarHBondContact O-N 2.98Å
126K50.7Low55.1Low202 Ų202114.8 Ų114.888%0.87867%0.672SS**  trans-73.573163.4-68.9-177.9177.51780108.4I124I124-K126 PolarHBondContact O-N 2.91Å; I124-K126 VanDerWaalsContact O-N 3.17Å
127D54.9Low52.8Low150 Ų150119.5 Ų119.580%0.80269%0.692SS**  trans-159.699.7163.7-113.1-16.2000111.2P125P125-D127 PolarHBondContact O-N 2.98Å
128S43.2Very low50.3Low117 Ų117122.2 Ų122.282%0.81871%0.705SS**  trans-161.958.3158.266.80000109.9S130S128-S130 PolarHBondContact O-N 3.33Å
129G42.5Very low48.2Very low84 Ų84129 Ų12987%0.86674%0.737SS**  trans-89.47216100000110
130S46.4Very low46Very low104 Ų104128.8 Ų128.873%0.72775%0.746SS**  trans-144.689.5167.770.40000111.1S128S128-S130 PolarHBondContact O-N 3.33Å
131S34.8Very low43.8Very low115 Ų115126 Ų12680%0.80475%0.754SS**  trans-117.979.8151.173.50000108.2M133S131-M133 PolarHBondContact O-N 3.42Å
132S34.3Very low42.1Very low109 Ų109127.4 Ų127.476%0.76277%0.77SS**  trans-74.8108161.649.40000108.1
133M34.6Very low40.6Very low169 Ų169132.3 Ų132.383%0.83379%0.789SS**  trans-98.6142159.5-82.1-69.1124.300109.1S131S131-M133 PolarHBondContact O-N 3.42Å
134P43.8Very low39.7Very low110 Ų110138.4 Ų138.471%0.71481%0.806SS**  trans-88.8136.7-172.934.9-31.2000110.7
135T29.3Very low38.8Very low139 Ų139137 Ų13785%0.85381%0.813SS**  trans-159.796.3152.81.30000108.8
136S33.6Very low38.2Very low124 Ų124136.2 Ų136.287%0.86782%0.817SS**  trans-89.9105170.3-177.90000108.2
137I34.9Very low38Very low154 Ų154134.9 Ų134.979%0.7982%0.818SS**  trans-132.6109.1158.3-70.2177.4000107.1
138H34Very low37.8Very low182 Ų182136.9 Ų136.984%0.84382%0.82SS**  trans37.3116.2150.1-95.4-101.7000120
139Q36.8Very low37.9Very low181 Ų181137.2 Ų137.285%0.84682%0.819SS**  trans-126.4133.8155.5-173.1176.50.600109.5
140P35.7Very low38.6Very low117 Ų117138.5 Ų138.576%0.7682%0.815SS**  trans-91.2147.5159.226.5-13.4000111.5
141S34.5Very low38.6Very low122 Ų122138.1 Ų138.185%0.85381%0.811SS**  trans-68.3140.1-173.5-172.80000114.4
142A33.1Very low39.6Very low86 Ų86139.9 Ų139.971%0.71181%0.811SS**  trans-164.8109146.500000113.8
143K35.3Very low40.4Very low203 Ų203140.2 Ų140.288%0.88380%0.804SS**  trans63.6116.6131-53.9-173.6-176.7-176.90120.3
144Q39.9Very low41.6Very low197 Ų197141.9 Ų141.992%0.92180%0.801SS**  trans-52.5144.5167.7-62.3165.5-16.500114.2
145A34.7Very low42.2Very low100 Ų100145.6 Ų145.683%0.82680%0.801SS**  trans-166.8122.8134.800000113.1
146A35.6Very low43Very low96 Ų96144.5 Ų144.579%0.79380%0.796SS**  trans61113.414600000121.5
147L45.5Very low44.2Very low173 Ų173149.7 Ų149.791%0.90680%0.797SS**  trans-61.5133.8157.7-73.590.2000111.2
148K50.4Low44.7Very low193 Ų193149.5 Ų149.584%0.83980%0.797SS**  trans-139.7138151.5-78.7-171.6177.6177.30110.3
149P45.6Very low45.3Very low124 Ų124147.8 Ų147.881%0.80580%0.795SS**  trans-68.8139.1176-7.723000110.6C151P149-C151 PolarHBondContact O-N 3.36Å; P149-C151 VanDerWaalsContact O-N 3.09Å
150S57.3Low45.7Very low111 Ų111145.9 Ų145.978%0.77679%0.792SS**  trans-62.999.5175.741.40000111.6
151C46.9Very low46.3Very low96 Ų96147.6 Ų147.665%0.64979%0.794SS**  trans-91.4113.7148.652.20000106.9P149 L153P149-C151 PolarHBondContact O-N 3.36Å; P149-C151 VanDerWaalsContact O-N 3.09Å; C151-L153 PolarHBondContact O-N 3.49Å
152N57Low47.1Very low152 Ų152149.3 Ų149.381%0.81379%0.79SS**  trans-64.478.7168.1-69.3-51.8000108.1W154N152-W154 PolarHBondContact O-N 2.8Å
153L50.4Low48Very low116 Ų116153.5 Ų153.561%0.60780%0.796SS**  trans-65.690.3164.4-86.2148.2000105.8C151 R155C151-L153 PolarHBondContact O-N 3.49Å; L153-R155 HydrophobicContact CB-CG 4.49Å; L153-R155 PolarHBondContact O-N 3.36Å
154W59.4Low48.9Very low203 Ų203149.9 Ų149.977%0.76979%0.79SS**  trans-50.7101.9156.4-122.188.9000106.1N152 P156N152-W154 PolarHBondContact O-N 2.8Å; W154-P156 WeakPolarHBondContact O-CD 2.92Å
155R55.6Low49.6Very low189 Ų189146.3 Ų146.371%0.71378%0.779SS**  trans-90.3117172.3-76.4-173.2178.1-93.40.6106.4L153L153-R155 HydrophobicContact CB-CG 4.49Å; L153-R155 PolarHBondContact O-N 3.36Å
156P46.1Very low50.8Low116 Ų116150.2 Ų150.275%0.75378%0.776SS**  trans-60.3139167.2-13.327.8000108.2W154W154-P156 WeakPolarHBondContact O-CD 2.92Å
157W60.3Low52.2Low233 Ų233155.1 Ų155.188%0.88377%0.774SS**  trans-79.50172.2-64.281.3000110.6V24V24-W157 HydrophobicContact CG1-CE3 4.17Å; V24-W157 HydrophobicContact CG1-CZ3 4.04Å

Retrieved 157 of 157 residues in 266 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).