G4VSS5_SCHMA Loading...

Putative calbindin-32

AlphaFold DB , UniProt , Accession G4VSS5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 308 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
1M32.4Very low41Very low247 Ų247143.5 Ų143.5100%1.21779%0.788SS**  0116.70-93.2150.7151.500106.3
2S26.8Very low44.6Very low119 Ų119133.6 Ų133.683%0.83273%0.733SS**  trans-80.7119.6175.848.60000108.9
3D33.9Very low47.9Very low129 Ų129125.8 Ų125.869%0.6969%0.688SS**  trans-69.5155.4170.9-97.9-28.5000111.5T5 G6D3-T5 PolarHBondContact O-N 2.77Å; D3-G6 PolarHBondContact O-N 2.81Å
4I39.1Very low50.8Low174 Ų174116.9 Ų116.989%0.89264%0.639SS**THydrogen-bonded Turntrans-66.72.9-164.5-58.8168.4000113.1
5T40.6Very low53Low105 Ų105111.9 Ų111.964%0.64462%0.616SS**THydrogen-bonded Turntrans-101.3-4.8-178.955.60000114.7D3 K7D3-T5 PolarHBondContact O-N 2.77Å; T5-K7 PolarHBondContact O-N 2.82Å
6G33.9Very low55Low74 Ų74112.1 Ų112.176%0.76361%0.609SS**  trans64.25.3177.500000115.1D3D3-G6 PolarHBondContact O-N 2.81Å
7K35.1Very low56.7Low153 Ų153106.9 Ų106.967%0.66558%0.579SS**  trans-80.7123.5169.3-75.4-179.7177.5175.80108T5 N9 E72T5-K7 PolarHBondContact O-N 2.82Å; K7-N9 PolarHBondContact O-N 3.46Å; K7-E72 IonicContact NZ-OE1 3.84Å
8Q33.6Very low58.1Low172 Ų172102.2 Ų102.280%0.80455%0.552SS**  trans-54.8126.4165.7-75.5-179.6-15.300107.3V10Q8-V10 PolarHBondContact O-N 2.78Å
9N45.2Very low59.3Low159 Ų15999.4 Ų99.485%0.8554%0.536SS*.  trans-69.690.4173.1-148.610.8000105.8K7 E11K7-N9 PolarHBondContact O-N 3.46Å; N9-E11 VanDerWaalsContact C-N 3.34Å; N9-E11 PolarHBondContact O-N 2.98Å
10V57.7Low60.2Low114 Ų11499.8 Ų99.869%0.69154%0.544SS*.  trans-71.999.4176.6-176.40000105.2Q8 N12Q8-V10 PolarHBondContact O-N 2.78Å; V10-N12 PolarHBondContact O-N 3.16Å
11E73.2Confident61Low132 Ų132103.5 Ų103.562%0.61756%0.558SS**  trans-59.7117.4179.2-172-177.9-13800108.4N9 F13 K16N9-E11 VanDerWaalsContact C-N 3.34Å; N9-E11 PolarHBondContact O-N 2.98Å; E11-F13 PolarHBondContact O-N 3.43Å; E11-K16 WeakPolarHBondContact OE2-CE 3.31Å; E11-K16 IonicContact OE2-NZ 3.83Å
12N83.4Confident63.4Low25 Ų2595.6 Ų95.613%0.13452%0.524CS..  trans-52.4122178.7175.1-51.3000109.7V10 L14 S15 E59 T62 S63V10-N12 PolarHBondContact O-N 3.16Å; N12-L14 PolarHBondContact O-N 2.82Å; N12-L14 WeakPolarHBondContact OD1-CA 3.38Å; N12-L14 PolarHBondContact OD1-N 3.01Å; N12-S15 WeakPolarHBondContact O-CB 3.31Å; N12-S15 PolarHBondContact O-N 2.83Å; N12-S15 PolarHBondContact O-OG 2.89Å; N12-S15 PolarHBondContact OD1-N 2.63Å; N12-E59 WeakPolarHBondContact ND2-CA 3.16Å; N12-E59 PolarHBondContact ND2-O 2.92Å; N12-T62 PolarHBondContact ND2-OG1 3.47Å; N12-S63 PolarHBondContact ND2-N 3.11Å
13F88.5Confident65.6Low33 Ų3392.2 Ų92.215%0.14550%0.495CS..THydrogen-bonded Turntrans-66.2-41.7-173.1175.1-93000111.8E11 S15 K16 F17 C36 H39 Y40 E59E11-F13 PolarHBondContact O-N 3.43Å; F13-S15 VanDerWaalsContact C-N 3.26Å; F13-S15 PolarHBondContact O-N 3.46Å; F13-K16 WeakPolarHBondContact O-CB 3.31Å; F13-K16 WeakPolarHBondContact O-CG 3.46Å; F13-K16 PolarHBondContact O-N 2.68Å; F13-F17 AromaticContact CD1-CE2 3.96Å; F13-F17 HydrophobicContact CD1-CE2 3.96Å; F13-F17 AromaticContact CE1-CE2 3.45Å; F13-F17 HydrophobicContact CE1-CE2 3.45Å; F13-F17 VanDerWaalsContact CE1-CE2 3.45Å; F13-F17 AromaticContact CE1-CZ 3.87Å; F13-F17 HydrophobicContact CE1-CZ 3.87Å; F13-F17 HydrophobicContact CZ-CE2 4.02Å; F13-F17 AromaticContact CZ-CZ 3.97Å; F13-F17 HydrophobicContact CZ-CZ 3.97Å; F13-C36 HydrophobicContact CE1-CB 4.16Å; F13-H39 HydrophobicContact CD1-CB 4.37Å; F13-H39 AromaticContact CD1-CD2 3.49Å; F13-H39 VanDerWaalsContact CD1-CD2 3.49Å; F13-H39 WeakPolarHBondContact CD1-CD2 3.03Å; F13-H39 AromaticContact CD2-CD2 3.81Å; F13-H39 AromaticContact CD2-CG 3.98Å; F13-H39 AromaticContact CD2-NE2 3.89Å; F13-H39 HydrophobicContact CE1-CB 3.96Å; F13-H39 AromaticContact CE1-CD2 3.97Å; F13-H39 HydrophobicContact CE2-CB 4.3Å; F13-H39 AromaticContact CG-CD2 3.4Å; F13-H39 VanDerWaalsContact CG-CD2 3.4Å; F13-H39 WeakPolarHBondContact CG-CD2 3.15Å; F13-H39 AromaticContact CG-CG 3.99Å; F13-H39 AromaticContact CG-NE2 3.62Å; F13-H39 HydrophobicContact CZ-CB 3.92Å; F13-Y40 HydrophobicContact CD1-CE2 4.06Å; F13-E59 WeakPolarHBondContact CB-OE2 3.11Å; F13-E59 PolarHBondContact N-OE2 2.83Å
14L87.9Confident67.6Low0 Ų095.2 Ų95.20%050%0.496CS..G310 helixtrans-67.4-23.4-179.7-75.7167.9000113.9N12 K16 F17 F25 C36 Y40 F56 E59 F60 L107N12-L14 PolarHBondContact O-N 2.82Å; N12-L14 WeakPolarHBondContact OD1-CA 3.38Å; N12-L14 PolarHBondContact OD1-N 3.01Å; L14-K16 PolarHBondContact O-N 3.08Å; L14-K16 VanDerWaalsContact O-N 3.15Å; L14-F17 HydrophobicContact CD2-CD2 4.07Å; L14-F17 HydrophobicContact CD2-CE2 4.41Å; L14-F17 PolarHBondContact O-N 2.74Å; L14-F25 HydrophobicContact CD2-CE1 4.46Å; L14-C36 VanDerWaalsContact CD2-SG 3.58Å; L14-Y40 HydrophobicContact CD1-CE2 4.28Å; L14-Y40 HydrophobicContact CD2-CE2 4.39Å; L14-Y40 HydrophobicContact CG-CE2 4.16Å; L14-Y40 WeakPolarHBondContact CG-OH 3.38Å; L14-F56 HydrophobicContact CD1-CD2 4.02Å; L14-F56 HydrophobicContact CD1-CE2 3.79Å; L14-E59 HydrophobicContact CD1-CB 4.15Å; L14-F60 HydrophobicContact CD1-CB 3.81Å; L14-F60 HydrophobicContact CD1-CD2 4.28Å; L14-L107 HydrophobicContact CD2-CD2 4.13Å
15S84.1Confident69.2Low42 Ų4288.7 Ų88.729%0.29446%0.461SS..G310 helixtrans-57.4-28.8176.173.50000112.3N12 F13 F17 R18N12-S15 WeakPolarHBondContact O-CB 3.31Å; N12-S15 PolarHBondContact O-N 2.83Å; N12-S15 PolarHBondContact O-OG 2.89Å; N12-S15 PolarHBondContact OD1-N 2.63Å; F13-S15 VanDerWaalsContact C-N 3.26Å; F13-S15 PolarHBondContact O-N 3.46Å; S15-F17 PolarHBondContact O-N 3.32Å; S15-R18 PolarHBondContact O-N 2.94Å
16K84.3Confident71Confident115 Ų11588 Ų8850%0.545%0.451SS..G310 helixtrans-64.6-23.9178.8-60.9173.9-175.5172.60113.1E11 F13 L14E11-K16 WeakPolarHBondContact OE2-CE 3.31Å; E11-K16 IonicContact OE2-NZ 3.83Å; F13-K16 WeakPolarHBondContact O-CB 3.31Å; F13-K16 WeakPolarHBondContact O-CG 3.46Å; F13-K16 PolarHBondContact O-N 2.68Å; L14-K16 PolarHBondContact O-N 3.08Å; L14-K16 VanDerWaalsContact O-N 3.15Å
17F84Confident72.8Confident25 Ų2588.5 Ų88.511%0.1144%0.443CS..G310 helixtrans-94.20.4177.9-51.6-66.6000112.6F13 L14 S15 F25 H26 V28 D32 C36F13-F17 AromaticContact CD1-CE2 3.96Å; F13-F17 HydrophobicContact CD1-CE2 3.96Å; F13-F17 AromaticContact CE1-CE2 3.45Å; F13-F17 HydrophobicContact CE1-CE2 3.45Å; F13-F17 VanDerWaalsContact CE1-CE2 3.45Å; F13-F17 AromaticContact CE1-CZ 3.87Å; F13-F17 HydrophobicContact CE1-CZ 3.87Å; F13-F17 HydrophobicContact CZ-CE2 4.02Å; F13-F17 AromaticContact CZ-CZ 3.97Å; F13-F17 HydrophobicContact CZ-CZ 3.97Å; L14-F17 HydrophobicContact CD2-CD2 4.07Å; L14-F17 HydrophobicContact CD2-CE2 4.41Å; L14-F17 PolarHBondContact O-N 2.74Å; S15-F17 PolarHBondContact O-N 3.32Å; F17-F25 HydrophobicContact CB-CD1 3.82Å; F17-F25 HydrophobicContact CB-CE1 4.01Å; F17-F25 WeakPolarHBondContact O-CA 3.36Å; F17-H26 PolarHBondContact O-N 2.93Å; F17-H26 PolarHBondContact O-ND1 2.8Å; F17-H26 VanDerWaalsContact O-ND1 3.15Å; F17-V28 HydrophobicContact CB-CG2 4.49Å; F17-D32 HydrophobicContact CD1-CB 4.17Å; F17-D32 HydrophobicContact CE1-CB 3.68Å; F17-C36 HydrophobicContact CE2-CB 4.42Å
18R82.6Confident75.1Confident22 Ų2281.3 Ų81.38%0.08341%0.412CS..BIsolated β-bridgetrans-105.6146.6-179.6-67.2-177.4-178.6-82.71.9112.2S15 P20 H23 R24 F25 H26 S63 V64S15-R18 PolarHBondContact O-N 2.94Å; R18-P20 WeakPolarHBondContact O-CD 3.31Å; R18-H23 WeakPolarHBondContact CD-O 3.36Å; R18-H23 PolarHBondContact NH1-O 2.92Å; R18-R24 CarbonylContact C-O 3.55Å; R18-R24 WeakPolarHBondContact CA-O 3.2Å; R18-F25 HydrophobicContact CG-CD1 3.81Å; R18-F25 HydrophobicContact CG-CE1 4Å; R18-F25 HydrophobicContact CG-CG 4.21Å; R18-F25 VanDerWaalsContact CZ-CZ 3.47Å; R18-H26 VanDerWaalsContact C-ND1 3.32Å; R18-H26 PolarHBondContact O-CE1 2.76Å; R18-S63 WeakPolarHBondContact CD-O 3.27Å; R18-S63 PolarHBondContact NE-OG 3.16Å; R18-S63 PolarHBondContact NH2-OG 2.9Å; R18-V64 VanDerWaalsContact NH2-CG2 3.28Å
19D81.3Confident77.5Confident48 Ų4875 Ų7526%0.25739%0.385SS..  trans-65.6122.7170.6176.2-81.4000108.7Q21 T22 H23 R24 H26D19-Q21 PolarHBondContact O-N 2.96Å; D19-Q21 WeakPolarHBondContact OD1-CA 3.24Å; D19-Q21 WeakPolarHBondContact OD1-CB 3.16Å; D19-Q21 PolarHBondContact OD1-N 3.37Å; D19-T22 VanDerWaalsContact CB-OG1 3.31Å; D19-T22 WeakPolarHBondContact CB-OG1 3.47Å; D19-T22 PolarHBondContact O-N 2.76Å; D19-T22 PolarHBondContact OD1-N 2.77Å; D19-T22 PolarHBondContact OD1-OG1 3.29Å; D19-H23 VanDerWaalsContact O-CA 3.32Å; D19-H23 WeakPolarHBondContact O-CA 3.47Å; D19-H23 PolarHBondContact O-N 3.21Å; D19-R24 PolarHBondContact N-O 3.49Å; D19-H26 WeakPolarHBondContact CA-CE1 3.5Å; D19-H26 PolarHBondContact N-CE1 2.92Å; D19-H26 PolarHBondContact N-ND1 2.97Å; D19-H26 IonicContact OD2-NE2 3.7Å
20P76.9Confident79.4Confident108 Ų10867.4 Ų67.470%0.70134%0.344SS*.THydrogen-bonded Turntrans-62.5-17.3-173.9-25.534.3000115R18R18-P20 WeakPolarHBondContact O-CD 3.31Å
21Q77.3Confident80.7Confident178 Ų17865.3 Ų65.383%0.83233%0.329SS*.THydrogen-bonded Turntrans-100.1-39.3-177.9-62.5-174.97.300112.3D19D19-Q21 PolarHBondContact O-N 2.96Å; D19-Q21 WeakPolarHBondContact OD1-CA 3.24Å; D19-Q21 WeakPolarHBondContact OD1-CB 3.16Å; D19-Q21 PolarHBondContact OD1-N 3.37Å
22T81.2Confident81.5Confident81 Ų8160.9 Ų60.950%0.49731%0.31SS..THydrogen-bonded Turntrans-100-12.6-174.165.30000113.2D19 R24D19-T22 VanDerWaalsContact CB-OG1 3.31Å; D19-T22 WeakPolarHBondContact CB-OG1 3.47Å; D19-T22 PolarHBondContact O-N 2.76Å; D19-T22 PolarHBondContact OD1-N 2.77Å; D19-T22 PolarHBondContact OD1-OG1 3.29Å; T22-R24 PolarHBondContact O-N 3.4Å; T22-R24 PolarHBondContact OG1-N 2.75Å
23H73Confident81.8Confident48 Ų4859.7 Ų59.722%0.22230%0.303CS..  trans55.112.2-172.7-57.9-77.1000114.2R18 D19R18-H23 WeakPolarHBondContact CD-O 3.36Å; R18-H23 PolarHBondContact NH1-O 2.92Å; D19-H23 VanDerWaalsContact O-CA 3.32Å; D19-H23 WeakPolarHBondContact O-CA 3.47Å; D19-H23 PolarHBondContact O-N 3.21Å
24R76.1Confident81.7Confident192 Ų19258.3 Ų58.373%0.72530%0.297SS*.PPolyproline II helixtrans-78.3143.7171.5-67.6-173.9173.6-168.8-3.2108.7R18 D19 T22 H26R18-R24 CarbonylContact C-O 3.55Å; R18-R24 WeakPolarHBondContact CA-O 3.2Å; D19-R24 PolarHBondContact N-O 3.49Å; T22-R24 PolarHBondContact O-N 3.4Å; T22-R24 PolarHBondContact OG1-N 2.75Å; R24-H26 PolarHBondContact O-N 2.84Å
25F73.7Confident81.8Confident36 Ų3662.8 Ų62.816%0.15832%0.317CS..BIsolated β-bridgetrans-60.5138.6169.8-79.9-71.6000110.6L14 F17 R18 V28 F60 L107 P108L14-F25 HydrophobicContact CD2-CE1 4.46Å; F17-F25 HydrophobicContact CB-CD1 3.82Å; F17-F25 HydrophobicContact CB-CE1 4.01Å; F17-F25 WeakPolarHBondContact O-CA 3.36Å; R18-F25 HydrophobicContact CG-CD1 3.81Å; R18-F25 HydrophobicContact CG-CE1 4Å; R18-F25 HydrophobicContact CG-CG 4.21Å; R18-F25 VanDerWaalsContact CZ-CZ 3.47Å; F25-V28 HydrophobicContact CD1-CG2 4.45Å; F25-F60 HydrophobicContact CE2-CD2 4.4Å; F25-F60 AromaticContact CE2-CE2 3.73Å; F25-F60 HydrophobicContact CE2-CE2 3.73Å; F25-F60 HydrophobicContact CZ-CD2 4.18Å; F25-F60 AromaticContact CZ-CE2 3.95Å; F25-F60 HydrophobicContact CZ-CE2 3.95Å; F25-L107 HydrophobicContact CE1-CD2 3.93Å; F25-L107 HydrophobicContact CE2-CD2 4.23Å; F25-L107 HydrophobicContact CZ-CD2 3.61Å; F25-P108 HydrophobicContact CB-CG 3.25Å; F25-P108 HydrophobicContact CD2-CG 3.93Å; F25-P108 HydrophobicContact CG-CG 3.78Å
26H77.1Confident82.2Confident90 Ų9060.8 Ų60.842%0.41730%0.303SS..PPolyproline II helixtrans-68.2161.3156.5-55.6103.5000109F17 R18 D19 R24 V28F17-H26 PolarHBondContact O-N 2.93Å; F17-H26 PolarHBondContact O-ND1 2.8Å; F17-H26 VanDerWaalsContact O-ND1 3.15Å; R18-H26 VanDerWaalsContact C-ND1 3.32Å; R18-H26 PolarHBondContact O-CE1 2.76Å; D19-H26 WeakPolarHBondContact CA-CE1 3.5Å; D19-H26 PolarHBondContact N-CE1 2.92Å; D19-H26 PolarHBondContact N-ND1 2.97Å; D19-H26 IonicContact OD2-NE2 3.7Å; R24-H26 PolarHBondContact O-N 2.84Å; H26-V28 PolarHBondContact O-N 3.46Å
27S72.7Confident82.5Confident85 Ų8555.6 Ų55.659%0.59428%0.28SS*.PPolyproline II helixtrans-55.1117.1171-175.60000109.3T29S27-T29 PolarHBondContact O-N 2.95Å
28V82.3Confident82.8Confident3 Ų359.6 Ų59.62%0.01830%0.299CS..BIsolated β-bridgetrans-81.9116.2179.1-179.30000107.6F17 F25 H26 D32 F33 P108 T109 E110F17-V28 HydrophobicContact CB-CG2 4.49Å; F25-V28 HydrophobicContact CD1-CG2 4.45Å; H26-V28 PolarHBondContact O-N 3.46Å; V28-D32 HydrophobicContact CG1-CB 3.84Å; V28-F33 HydrophobicContact CG1-CB 4.05Å; V28-P108 PolarHBondContact N-O 2.73Å; V28-T109 WeakPolarHBondContact O-CA 3.28Å; V28-E110 PolarHBondContact O-N 2.81Å; V28-E110 VanDerWaalsContact O-N 3.16Å
29T85.8Confident83.3Confident39 Ų3962.5 Ų62.524%0.23931%0.313CS..PPolyproline II helixtrans-68.8160.5175.869.10000110.4S27 L31 D32 F33S27-T29 PolarHBondContact O-N 2.95Å; T29-L31 PolarHBondContact O-N 3.2Å; T29-D32 PolarHBondContact O-N 3.09Å; T29-D32 WeakPolarHBondContact OG1-CB 3.25Å; T29-D32 PolarHBondContact OG1-N 3.03Å; T29-D32 VanDerWaalsContact OG1-N 3.13Å; T29-D32 PolarHBondContact OG1-OD2 3.06Å; T29-F33 PolarHBondContact O-N 3.31Å
30A84.1Confident83.9Confident0 Ų060.8 Ų60.80%030%0.303CS..Hα-helixtrans-55.3-38.5175.300000112.1F33 L34 F113 Y172 T175A30-F33 PolarHBondContact O-N 3.23Å; A30-L34 PolarHBondContact O-N 3.12Å; A30-F113 HydrophobicContact CB-CB 4.44Å; A30-F113 HydrophobicContact CB-CD1 4.3Å; A30-F113 HydrophobicContact CB-CD2 3.57Å; A30-F113 HydrophobicContact CB-CE1 4.41Å; A30-F113 HydrophobicContact CB-CE2 3.75Å; A30-F113 HydrophobicContact CB-CG 3.86Å; A30-F113 HydrophobicContact CB-CZ 4.15Å; A30-Y172 HydrophobicContact CB-CD1 3.76Å; A30-Y172 HydrophobicContact CB-CE1 3.68Å; A30-T175 HydrophobicContact CB-CG2 4.19Å; A30-T175 WeakPolarHBondContact O-CG2 3.41Å
31L85.8Confident84.6Confident70 Ų7056.3 Ų56.337%0.36627%0.273SS..Hα-helixtrans-67.9-37.5176.4-177.462.1000112.7T29 L34 K35T29-L31 PolarHBondContact O-N 3.2Å; L31-L34 HydrophobicContact CD1-CD2 4.32Å; L31-L34 PolarHBondContact O-N 3.32Å; L31-K35 WeakPolarHBondContact O-CG 3.38Å; L31-K35 PolarHBondContact O-N 3.19Å
32D88.8Confident85.3Confident39 Ų3952.9 Ų52.921%0.20927%0.265CS..Hα-helixtrans-71.9-36.4176.9-65.8-36.7000111.7F17 V28 T29 K35 C36F17-D32 HydrophobicContact CD1-CB 4.17Å; F17-D32 HydrophobicContact CE1-CB 3.68Å; V28-D32 HydrophobicContact CG1-CB 3.84Å; T29-D32 PolarHBondContact O-N 3.09Å; T29-D32 WeakPolarHBondContact OG1-CB 3.25Å; T29-D32 PolarHBondContact OG1-N 3.03Å; T29-D32 VanDerWaalsContact OG1-N 3.13Å; T29-D32 PolarHBondContact OG1-OD2 3.06Å; D32-K35 PolarHBondContact O-N 2.99Å; D32-K35 IonicContact OD1-NZ 3.67Å; D32-K35 PolarHBondContact OD1-NZ 2.9Å; D32-C36 WeakPolarHBondContact O-CB 3.39Å; D32-C36 PolarHBondContact O-N 2.77Å
33F89.4Confident85.7Confident0 Ų053.8 Ų53.80%027%0.267CS..Hα-helixtrans-58.6-48.7169.9-177.8-86.6000110.8V28 T29 A30 K35 C36 W37 I100 L103 C104 L107 T109 F113 L179V28-F33 HydrophobicContact CG1-CB 4.05Å; T29-F33 PolarHBondContact O-N 3.31Å; A30-F33 PolarHBondContact O-N 3.23Å; F33-K35 VanDerWaalsContact C-N 3.34Å; F33-K35 PolarHBondContact O-N 3.5Å; F33-C36 WeakPolarHBondContact O-CA 3.27Å; F33-C36 WeakPolarHBondContact O-CB 3.47Å; F33-C36 PolarHBondContact O-N 3.05Å; F33-C36 VanDerWaalsContact O-N 3.07Å; F33-W37 HydrophobicContact CE1-CB 4.45Å; F33-W37 HydrophobicContact CZ-CE3 4.35Å; F33-W37 PolarHBondContact O-N 3.33Å; F33-I100 HydrophobicContact CE1-CD1 4.04Å; F33-I100 HydrophobicContact CE1-CG1 3.64Å; F33-I100 HydrophobicContact CZ-CG1 3.82Å; F33-L103 HydrophobicContact CE2-CB 4.24Å; F33-L103 HydrophobicContact CE2-CD2 3.9Å; F33-L103 HydrophobicContact CE2-CG 3.93Å; F33-L103 HydrophobicContact CZ-CB 4.16Å; F33-L103 HydrophobicContact CZ-CD2 3.92Å; F33-L103 HydrophobicContact CZ-CG 4.19Å; F33-C104 HydrophobicContact CE2-CB 4.36Å; F33-C104 VanDerWaalsContact CE2-SG 3.55Å; F33-C104 WeakPolarHBondContact CZ-SG 3.24Å; F33-L107 HydrophobicContact CD2-CB 4.4Å; F33-L107 HydrophobicContact CD2-CD1 3.93Å; F33-L107 HydrophobicContact CE2-CD1 4.13Å; F33-T109 HydrophobicContact CB-CG2 4.07Å; F33-T109 HydrophobicContact CD2-CG2 4.21Å; F33-T109 WeakPolarHBondContact CD2-OG1 3.13Å; F33-T109 HydrophobicContact CG-CG2 4.29Å; F33-F113 HydrophobicContact CD1-CE1 4.25Å; F33-L179 HydrophobicContact CE1-CD2 4.42Å
34L88.1Confident86.3Confident4 Ų453.2 Ų53.22%0.02127%0.273CS..Hα-helixtrans-57-45.4175.9169.266000112.3A30 L31 C36 W37 Q38 T175 R178 L179A30-L34 PolarHBondContact O-N 3.12Å; L31-L34 HydrophobicContact CD1-CD2 4.32Å; L31-L34 PolarHBondContact O-N 3.32Å; L34-C36 VanDerWaalsContact C-N 3.26Å; L34-C36 PolarHBondContact O-N 2.99Å; L34-W37 PolarHBondContact O-N 3.02Å; L34-Q38 HydrophobicContact CD1-CG 3.85Å; L34-Q38 WeakPolarHBondContact O-CB 3.5Å; L34-Q38 WeakPolarHBondContact O-CG 3.38Å; L34-Q38 PolarHBondContact O-N 3.27Å; L34-T175 HydrophobicContact CB-CG2 3.81Å; L34-T175 HydrophobicContact CD2-CG2 4.12Å; L34-T175 HydrophobicContact CG-CG2 4.48Å; L34-R178 HydrophobicContact CD1-CB 3.99Å; L34-R178 HydrophobicContact CD2-CB 3.83Å; L34-R178 HydrophobicContact CD2-CG 4.5Å; L34-L179 HydrophobicContact CB-CD2 4.34Å; L34-L179 HydrophobicContact CD1-CD2 3.48Å; L34-L179 VanDerWaalsContact CD1-CD2 3.48Å; L34-L179 HydrophobicContact CD1-CG 3.74Å
35K89.3Confident86.6Confident94 Ų9445.5 Ų45.541%0.40925%0.247SC..Hα-helixtrans-61.3-38.8176.4-70.1170.5-161.5150.50111.6L31 D32 F33 H39L31-K35 WeakPolarHBondContact O-CG 3.38Å; L31-K35 PolarHBondContact O-N 3.19Å; D32-K35 PolarHBondContact O-N 2.99Å; D32-K35 IonicContact OD1-NZ 3.67Å; D32-K35 PolarHBondContact OD1-NZ 2.9Å; F33-K35 VanDerWaalsContact C-N 3.34Å; F33-K35 PolarHBondContact O-N 3.5Å; K35-H39 VanDerWaalsContact O-CB 3.28Å; K35-H39 WeakPolarHBondContact O-CB 3.48Å; K35-H39 PolarHBondContact O-N 3.19Å; K35-H39 VanDerWaalsContact O-N 3.07Å
36C91.4Very high87.2Confident0 Ų043.9 Ų43.90%024%0.24CC..Hα-helixtrans-66.7-46.4177.2-169.10000111.4F13 L14 F17 D32 F33 L34 H39 Y40 L107F13-C36 HydrophobicContact CE1-CB 4.16Å; L14-C36 VanDerWaalsContact CD2-SG 3.58Å; F17-C36 HydrophobicContact CE2-CB 4.42Å; D32-C36 WeakPolarHBondContact O-CB 3.39Å; D32-C36 PolarHBondContact O-N 2.77Å; F33-C36 WeakPolarHBondContact O-CA 3.27Å; F33-C36 WeakPolarHBondContact O-CB 3.47Å; F33-C36 PolarHBondContact O-N 3.05Å; F33-C36 VanDerWaalsContact O-N 3.07Å; L34-C36 VanDerWaalsContact C-N 3.26Å; L34-C36 PolarHBondContact O-N 2.99Å; C36-H39 WeakPolarHBondContact O-CB 3.31Å; C36-H39 PolarHBondContact O-N 2.99Å; C36-Y40 VanDerWaalsContact O-CD2 3.24Å; C36-Y40 WeakPolarHBondContact O-CD2 3.5Å; C36-Y40 PolarHBondContact O-N 3.44Å; C36-L107 HydrophobicContact CB-CD1 4.12Å
37W90.8Very high87.8Confident5 Ų543 Ų432%0.01923%0.234CC..Hα-helixtrans-56-56.1176.2-172.5-91.7000111F33 L34 H39 Y40 D41 G46 L48 I100 L103 L179F33-W37 HydrophobicContact CE1-CB 4.45Å; F33-W37 HydrophobicContact CZ-CE3 4.35Å; F33-W37 PolarHBondContact O-N 3.33Å; L34-W37 PolarHBondContact O-N 3.02Å; W37-H39 PolarHBondContact O-N 3.32Å; W37-H39 VanDerWaalsContact O-N 3.14Å; W37-Y40 PolarHBondContact O-N 3.24Å; W37-Y40 VanDerWaalsContact O-N 3.11Å; W37-D41 HydrophobicContact CD2-CB 4.5Å; W37-D41 HydrophobicContact CZ2-CB 4.12Å; W37-D41 PolarHBondContact NE1-OD2 3.47Å; W37-D41 WeakPolarHBondContact O-CB 3.45Å; W37-D41 PolarHBondContact O-N 3.39Å; W37-G46 VanDerWaalsContact CZ2-C 3.45Å; W37-L48 HydrophobicContact CH2-CG 4.16Å; W37-L48 HydrophobicContact CZ3-CG 4.22Å; W37-I100 HydrophobicContact CD2-CG1 4.31Å; W37-I100 HydrophobicContact CE3-CB 4.26Å; W37-I100 HydrophobicContact CE3-CG1 4.07Å; W37-I100 HydrophobicContact CH2-CB 4.13Å; W37-I100 HydrophobicContact CZ2-CB 4.42Å; W37-I100 VanDerWaalsContact CZ3-CA 3.43Å; W37-I100 HydrophobicContact CZ3-CB 4.05Å; W37-I100 HydrophobicContact CZ3-CG1 4.34Å; W37-L103 HydrophobicContact CE3-CB 4.18Å; W37-L103 HydrophobicContact CE3-CD2 3.39Å; W37-L103 HydrophobicContact CE3-CG 4.39Å; W37-L103 HydrophobicContact CZ3-CB 3.82Å; W37-L103 HydrophobicContact CZ3-CD2 3.8Å; W37-L103 HydrophobicContact CZ3-CG 4.4Å; W37-L179 HydrophobicContact CB-CD2 3.95Å; W37-L179 HydrophobicContact CG-CD2 3.89Å
38Q90.2Very high88.8Confident109 Ų10938.9 Ų38.951%0.50921%0.205SC..Hα-helixtrans-64.6-19.6-179.6-69.5-177.2-27.600114.3L34L34-Q38 HydrophobicContact CD1-CG 3.85Å; L34-Q38 WeakPolarHBondContact O-CB 3.5Å; L34-Q38 WeakPolarHBondContact O-CG 3.38Å; L34-Q38 PolarHBondContact O-N 3.27Å
39H93.1Very high89.3Confident83 Ų8341.5 Ų41.538%0.38422%0.217SC..Hα-helixtrans-74.1-35.9176.1-176.458.1000111.9F13 K35 C36 W37F13-H39 HydrophobicContact CD1-CB 4.37Å; F13-H39 AromaticContact CD1-CD2 3.49Å; F13-H39 VanDerWaalsContact CD1-CD2 3.49Å; F13-H39 WeakPolarHBondContact CD1-CD2 3.03Å; F13-H39 AromaticContact CD2-CD2 3.81Å; F13-H39 AromaticContact CD2-CG 3.98Å; F13-H39 AromaticContact CD2-NE2 3.89Å; F13-H39 HydrophobicContact CE1-CB 3.96Å; F13-H39 AromaticContact CE1-CD2 3.97Å; F13-H39 HydrophobicContact CE2-CB 4.3Å; F13-H39 AromaticContact CG-CD2 3.4Å; F13-H39 VanDerWaalsContact CG-CD2 3.4Å; F13-H39 WeakPolarHBondContact CG-CD2 3.15Å; F13-H39 AromaticContact CG-CG 3.99Å; F13-H39 AromaticContact CG-NE2 3.62Å; F13-H39 HydrophobicContact CZ-CB 3.92Å; K35-H39 VanDerWaalsContact O-CB 3.28Å; K35-H39 WeakPolarHBondContact O-CB 3.48Å; K35-H39 PolarHBondContact O-N 3.19Å; K35-H39 VanDerWaalsContact O-N 3.07Å; C36-H39 WeakPolarHBondContact O-CB 3.31Å; C36-H39 PolarHBondContact O-N 2.99Å; W37-H39 PolarHBondContact O-N 3.32Å; W37-H39 VanDerWaalsContact O-N 3.14Å
40Y94.3Very high89.7Confident12 Ų1242.4 Ų42.45%0.04723%0.234CC..Hα-helixtrans-102.6-36.9-175.1-63.3-68.9000113.6F13 L14 C36 W37 T42 E52 F56 E59F13-Y40 HydrophobicContact CD1-CE2 4.06Å; L14-Y40 HydrophobicContact CD1-CE2 4.28Å; L14-Y40 HydrophobicContact CD2-CE2 4.39Å; L14-Y40 HydrophobicContact CG-CE2 4.16Å; L14-Y40 WeakPolarHBondContact CG-OH 3.38Å; C36-Y40 VanDerWaalsContact O-CD2 3.24Å; C36-Y40 WeakPolarHBondContact O-CD2 3.5Å; C36-Y40 PolarHBondContact O-N 3.44Å; W37-Y40 PolarHBondContact O-N 3.24Å; W37-Y40 VanDerWaalsContact O-N 3.11Å; Y40-T42 VanDerWaalsContact C-N 3.25Å; Y40-T42 PolarHBondContact O-N 3.2Å; Y40-E52 VanDerWaalsContact O-CB 3.25Å; Y40-E52 WeakPolarHBondContact O-CB 3.36Å; Y40-E52 VanDerWaalsContact O-CG 3.23Å; Y40-E52 WeakPolarHBondContact O-CG 3.39Å; Y40-F56 HydrophobicContact CD1-CB 3.81Å; Y40-F56 HydrophobicContact CD2-CB 4.31Å; Y40-F56 AromaticContact CD2-CD2 3.64Å; Y40-F56 HydrophobicContact CD2-CD2 3.64Å; Y40-F56 HydrophobicContact CD2-CG 4.41Å; Y40-F56 HydrophobicContact CE1-CB 4.18Å; Y40-F56 AromaticContact CE2-CD2 3.63Å; Y40-F56 HydrophobicContact CE2-CD2 3.63Å; Y40-F56 HydrophobicContact CE2-CE2 4.36Å; Y40-F56 HydrophobicContact CG-CB 3.89Å; Y40-F56 HydrophobicContact CG-CD2 4.1Å; Y40-F56 HydrophobicContact CG-CG 4.45Å; Y40-E59 WeakPolarHBondContact OH-CB 3.17Å; Y40-E59 PolarHBondContact OH-OE2 3.12Å
41D93.2Very high90.2Very high14 Ų1450 Ų508%0.07527%0.27CS..  trans-78.776.2172.6-179.417000108.9W37 G44 N45 G46 L48W37-D41 HydrophobicContact CD2-CB 4.5Å; W37-D41 HydrophobicContact CZ2-CB 4.12Å; W37-D41 PolarHBondContact NE1-OD2 3.47Å; W37-D41 WeakPolarHBondContact O-CB 3.45Å; W37-D41 PolarHBondContact O-N 3.39Å; D41-G44 VanDerWaalsContact OD1-CA 3.28Å; D41-G44 WeakPolarHBondContact OD1-CA 3.42Å; D41-G44 PolarHBondContact OD1-N 3.34Å; D41-N45 PolarHBondContact OD1-N 3.12Å; D41-N45 VanDerWaalsContact OD1-N 3.16Å; D41-G46 PolarHBondContact OD1-N 3.45Å; D41-G46 WeakPolarHBondContact OD2-CA 3.35Å; D41-G46 PolarHBondContact OD2-N 3.41Å; D41-L48 HydrophobicContact CB-CD2 3.83Å
42T91.7Very high90.6Very high107 Ų10747.8 Ų47.866%0.65626%0.258SS*.  trans-78-29.1-171.362.50000112.8Y40 E52Y40-T42 VanDerWaalsContact C-N 3.25Å; Y40-T42 PolarHBondContact O-N 3.2Å; T42-E52 WeakPolarHBondContact CA-OE1 3.36Å; T42-E52 WeakPolarHBondContact CB-OE1 3.26Å; T42-E52 PolarHBondContact N-OE1 3.04Å; T42-E52 PolarHBondContact OG1-OE1 3.5Å
43D89.2Confident90.9Very high100 Ų10046.7 Ų46.754%0.53525%0.252SS..SBendtrans-86.5-11.117577.23.5000113.2N45 E52D43-N45 VanDerWaalsContact CG-ND2 3.29Å; D43-N45 PolarHBondContact O-N 3.02Å; D43-N45 WeakPolarHBondContact OD1-CB 3.49Å; D43-N45 PolarHBondContact OD1-N 2.68Å; D43-N45 PolarHBondContact OD1-ND2 3.23Å; D43-N45 PolarHBondContact OD2-ND2 2.94Å; D43-E52 PolarHBondContact N-OE1 3.47Å
44G84.7Confident91.1Very high35 Ų3549 Ų4936%0.36126%0.264SS..  trans70.117.7177.700000112.8D41 G46D41-G44 VanDerWaalsContact OD1-CA 3.28Å; D41-G44 WeakPolarHBondContact OD1-CA 3.42Å; D41-G44 PolarHBondContact OD1-N 3.34Å; G44-G46 PolarHBondContact O-N 2.97Å
45N83Confident91.3Very high31 Ų3150.3 Ų50.317%0.16628%0.279CS..SBendtrans-73.6-5.5177.58232.7000111.1D41 D43 Y47 E49 R182D41-N45 PolarHBondContact OD1-N 3.12Å; D41-N45 VanDerWaalsContact OD1-N 3.16Å; D43-N45 VanDerWaalsContact CG-ND2 3.29Å; D43-N45 PolarHBondContact O-N 3.02Å; D43-N45 WeakPolarHBondContact OD1-CB 3.49Å; D43-N45 PolarHBondContact OD1-N 2.68Å; D43-N45 PolarHBondContact OD1-ND2 3.23Å; D43-N45 PolarHBondContact OD2-ND2 2.94Å; N45-Y47 VanDerWaalsContact C-N 3.29Å; N45-Y47 VanDerWaalsContact O-CD2 3.31Å; N45-Y47 WeakPolarHBondContact O-CD2 3.19Å; N45-Y47 PolarHBondContact O-N 3.46Å; N45-Y47 WeakPolarHBondContact OD1-CA 3.21Å; N45-Y47 WeakPolarHBondContact OD1-CB 3.44Å; N45-Y47 PolarHBondContact OD1-N 3.26Å; N45-Y47 PolarHBondContact OD1-O 3.36Å; N45-E49 PolarHBondContact ND2-OE1 3.29Å; N45-R182 PolarHBondContact O-NH2 2.76Å
46G85.3Confident91.6Very high2 Ų245.9 Ų45.92%0.02126%0.259CS..SBendtrans74.323.3173.200000113.7W37 D41 G44 R195W37-G46 VanDerWaalsContact CZ2-C 3.45Å; D41-G46 PolarHBondContact OD1-N 3.45Å; D41-G46 WeakPolarHBondContact OD2-CA 3.35Å; D41-G46 PolarHBondContact OD2-N 3.41Å; G44-G46 PolarHBondContact O-N 2.97Å; G46-R195 PolarHBondContact O-NH1 2.87Å
47Y90.5Very high91.6Very high70 Ų7046.1 Ų46.128%0.27526%0.261SS..EExtended strand (participates in β ladder)trans-140.4142167.9-59.8-87.4000108.6N45 R97 I98 D99N45-Y47 VanDerWaalsContact C-N 3.29Å; N45-Y47 VanDerWaalsContact O-CD2 3.31Å; N45-Y47 WeakPolarHBondContact O-CD2 3.19Å; N45-Y47 PolarHBondContact O-N 3.46Å; N45-Y47 WeakPolarHBondContact OD1-CA 3.21Å; N45-Y47 WeakPolarHBondContact OD1-CB 3.44Å; N45-Y47 PolarHBondContact OD1-N 3.26Å; N45-Y47 PolarHBondContact OD1-O 3.36Å; Y47-R97 HydrophobicContact CD1-CB 4.33Å; Y47-I98 WeakPolarHBondContact CA-O 3.34Å; Y47-D99 HydrophobicContact CD1-CB 3.95Å; Y47-D99 HydrophobicContact CE1-CB 3.94Å
48L93.4Very high91.6Very high0 Ų049.4 Ų49.40%027%0.273CS..EExtended strand (participates in β ladder)trans-86.5113.6164.9-53.3-179.3000108.1W37 D41 L53 F56 R97 I98 L103W37-L48 HydrophobicContact CH2-CG 4.16Å; W37-L48 HydrophobicContact CZ3-CG 4.22Å; D41-L48 HydrophobicContact CB-CD2 3.83Å; L48-L53 HydrophobicContact CB-CB 4.34Å; L48-L53 HydrophobicContact CB-CD1 4.22Å; L48-F56 HydrophobicContact CD1-CB 4.15Å; L48-F56 HydrophobicContact CD1-CD1 4.07Å; L48-F56 HydrophobicContact CD1-CD2 4.36Å; L48-F56 HydrophobicContact CD1-CG 3.91Å; L48-R97 WeakPolarHBondContact O-CA 3.4Å; L48-I98 HydrophobicContact CB-CB 4.22Å; L48-I98 HydrophobicContact CD1-CG2 4.43Å; L48-I98 PolarHBondContact N-O 2.51Å; L48-I98 PolarHBondContact O-N 2.56Å; L48-L103 HydrophobicContact CD1-CD1 4.36Å
49E93.9Very high91.6Very high58 Ų5846 Ų4627%0.27126%0.257SS..  trans-139160.417865.3179.9151.900113.3N45 E51 E52 L53 R97N45-E49 PolarHBondContact ND2-OE1 3.29Å; E49-E51 PolarHBondContact O-N 2.98Å; E49-E52 WeakPolarHBondContact O-CB 3.28Å; E49-E52 PolarHBondContact O-N 2.77Å; E49-E52 VanDerWaalsContact O-N 3.13Å; E49-L53 PolarHBondContact O-N 3.5Å; E49-R97 HydrophobicContact CB-CB 4.26Å; E49-R97 HydrophobicContact CB-CG 3.92Å; E49-R97 VanDerWaalsContact CD-NH1 3.28Å; E49-R97 IonicContact OE1-CZ 2.86Å; E49-R97 IonicContact OE1-NH1 3.24Å; E49-R97 PolarHBondContact OE1-NH1 3.37Å; E49-R97 WeakPolarHBondContact OE2-CD 3.42Å; E49-R97 IonicContact OE2-CZ 3.18Å; E49-R97 IonicContact OE2-NE 3.69Å; E49-R97 PolarHBondContact OE2-NE 2.91Å; E49-R97 IonicContact OE2-NH1 3.89Å; E49-R97 PolarHBondContact OE2-NH1 3.14Å; E49-R97 IonicContact OE2-NH2 2.72Å; E49-R97 PolarHBondContact OE2-NH2 3.29Å
50G93.3Very high91.5Very high58 Ų5843.2 Ų43.260%0.59824%0.244SC*.Hα-helixtrans56.8-120.7177.600000114N54G50-N54 WeakPolarHBondContact O-CB 3.42Å; G50-N54 PolarHBondContact O-N 3.16Å; G50-N54 VanDerWaalsContact O-N 3.1Å
51E93.9Very high91.1Very high159 Ų15943.4 Ų43.474%0.74325%0.246SC*.Hα-helixtrans-70.7-30.8-178.8-68.4-62.114700112.8E49 N54 G55E49-E51 PolarHBondContact O-N 2.98Å; E51-N54 PolarHBondContact O-N 3.26Å; E51-G55 PolarHBondContact O-N 2.94Å
52E95.4Very high90.8Very high24 Ų2444.1 Ų44.111%0.11225%0.251CS..Hα-helixtrans-64.6-48.8177.3-64.6177.1148.300110.3Y40 T42 D43 E49 N54 G55 F56Y40-E52 VanDerWaalsContact O-CB 3.25Å; Y40-E52 WeakPolarHBondContact O-CB 3.36Å; Y40-E52 VanDerWaalsContact O-CG 3.23Å; Y40-E52 WeakPolarHBondContact O-CG 3.39Å; T42-E52 WeakPolarHBondContact CA-OE1 3.36Å; T42-E52 WeakPolarHBondContact CB-OE1 3.26Å; T42-E52 PolarHBondContact N-OE1 3.04Å; T42-E52 PolarHBondContact OG1-OE1 3.5Å; D43-E52 PolarHBondContact N-OE1 3.47Å; E49-E52 WeakPolarHBondContact O-CB 3.28Å; E49-E52 PolarHBondContact O-N 2.77Å; E49-E52 VanDerWaalsContact O-N 3.13Å; E52-N54 PolarHBondContact O-N 3.48Å; E52-G55 PolarHBondContact O-N 2.73Å; E52-F56 WeakPolarHBondContact O-CB 3.33Å; E52-F56 PolarHBondContact O-N 2.85Å
53L95.1Very high90.5Very high16 Ų1639.4 Ų39.48%0.08422%0.222CC..Hα-helixtrans-61.6-44.9175.7-178.260.2000111.6L48 E49 G55 F56 L57 M87 G96 I98L48-L53 HydrophobicContact CB-CB 4.34Å; L48-L53 HydrophobicContact CB-CD1 4.22Å; E49-L53 PolarHBondContact O-N 3.5Å; L53-G55 VanDerWaalsContact C-N 3.35Å; L53-G55 PolarHBondContact O-N 3.38Å; L53-F56 HydrophobicContact CD1-CD1 4.47Å; L53-F56 PolarHBondContact O-N 3.34Å; L53-L57 HydrophobicContact CD1-CD1 3.92Å; L53-L57 HydrophobicContact CD1-CD2 4.41Å; L53-L57 HydrophobicContact CD1-CG 3.91Å; L53-L57 HydrophobicContact CG-CD1 3.86Å; L53-L57 HydrophobicContact CG-CG 4.25Å; L53-L57 WeakPolarHBondContact O-CB 3.41Å; L53-L57 VanDerWaalsContact O-CG 3.26Å; L53-L57 WeakPolarHBondContact O-CG 3.03Å; L53-L57 PolarHBondContact O-N 3.5Å; L53-M87 HydrophobicContact CD1-SD 3.99Å; L53-M87 HydrophobicContact CD2-CE 3.83Å; L53-M87 HydrophobicContact CD2-SD 3.86Å; L53-M87 HydrophobicContact CG-SD 4.37Å; L53-G96 WeakPolarHBondContact CD2-O 3.25Å; L53-I98 HydrophobicContact CD1-CB 4.21Å; L53-I98 HydrophobicContact CD1-CG1 3.61Å
54N92.7Very high90Very high48 Ų4838 Ų3826%0.25722%0.217SC..Hα-helixtrans-61.4-44.8178.3-168.4-11.8000111.1G50 E51 E52 L57 R58 M83G50-N54 WeakPolarHBondContact O-CB 3.42Å; G50-N54 PolarHBondContact O-N 3.16Å; G50-N54 VanDerWaalsContact O-N 3.1Å; E51-N54 PolarHBondContact O-N 3.26Å; E52-N54 PolarHBondContact O-N 3.48Å; N54-L57 PolarHBondContact O-N 3.36Å; N54-R58 WeakPolarHBondContact O-CB 3.45Å; N54-R58 VanDerWaalsContact O-CG 3.31Å; N54-R58 WeakPolarHBondContact O-CG 3.25Å; N54-R58 PolarHBondContact O-N 2.75Å; N54-R58 PolarHBondContact OD1-NE 3.26Å; N54-R58 PolarHBondContact OD1-NH2 3.26Å; N54-M83 VanDerWaalsContact OD1-CE 3.25Å; N54-M83 WeakPolarHBondContact OD1-CE 3Å
55G92.8Very high89.4Confident32 Ų3238.5 Ų38.533%0.3321%0.211SC..Hα-helixtrans-58.1-51.3174.600000112.2E51 E52 L53 R58 E59E51-G55 PolarHBondContact O-N 2.94Å; E52-G55 PolarHBondContact O-N 2.73Å; L53-G55 VanDerWaalsContact C-N 3.35Å; L53-G55 PolarHBondContact O-N 3.38Å; G55-R58 PolarHBondContact O-N 3.4Å; G55-E59 PolarHBondContact O-N 3.48Å; G55-E59 VanDerWaalsContact O-N 3.09Å
56F94.6Very high88.5Confident0 Ų038.8 Ų38.80%021%0.214CC..Hα-helixtrans-55.9-53.2176.3169.5-106.2000112.1L14 Y40 L48 E52 L53 R58 E59 F60 L103 I106L14-F56 HydrophobicContact CD1-CD2 4.02Å; L14-F56 HydrophobicContact CD1-CE2 3.79Å; Y40-F56 HydrophobicContact CD1-CB 3.81Å; Y40-F56 HydrophobicContact CD2-CB 4.31Å; Y40-F56 AromaticContact CD2-CD2 3.64Å; Y40-F56 HydrophobicContact CD2-CD2 3.64Å; Y40-F56 HydrophobicContact CD2-CG 4.41Å; Y40-F56 HydrophobicContact CE1-CB 4.18Å; Y40-F56 AromaticContact CE2-CD2 3.63Å; Y40-F56 HydrophobicContact CE2-CD2 3.63Å; Y40-F56 HydrophobicContact CE2-CE2 4.36Å; Y40-F56 HydrophobicContact CG-CB 3.89Å; Y40-F56 HydrophobicContact CG-CD2 4.1Å; Y40-F56 HydrophobicContact CG-CG 4.45Å; L48-F56 HydrophobicContact CD1-CB 4.15Å; L48-F56 HydrophobicContact CD1-CD1 4.07Å; L48-F56 HydrophobicContact CD1-CD2 4.36Å; L48-F56 HydrophobicContact CD1-CG 3.91Å; E52-F56 WeakPolarHBondContact O-CB 3.33Å; E52-F56 PolarHBondContact O-N 2.85Å; L53-F56 HydrophobicContact CD1-CD1 4.47Å; L53-F56 PolarHBondContact O-N 3.34Å; F56-R58 VanDerWaalsContact C-N 3.35Å; F56-R58 PolarHBondContact O-N 3.18Å; F56-E59 PolarHBondContact O-N 2.95Å; F56-F60 HydrophobicContact CE1-CB 4.49Å; F56-F60 HydrophobicContact CE2-CB 4.46Å; F56-F60 HydrophobicContact CZ-CB 4.26Å; F56-F60 HydrophobicContact CZ-CD2 4.21Å; F56-F60 HydrophobicContact CZ-CG 4.36Å; F56-F60 VanDerWaalsContact O-CB 3.29Å; F56-F60 WeakPolarHBondContact O-CB 3.49Å; F56-F60 PolarHBondContact O-N 2.82Å; F56-L103 HydrophobicContact CD2-CD1 4.42Å; F56-L103 HydrophobicContact CE1-CD1 3.81Å; F56-L103 HydrophobicContact CE2-CD1 3.58Å; F56-L103 HydrophobicContact CZ-CD1 3.21Å; F56-I106 HydrophobicContact CE1-CD1 4.1Å; F56-I106 HydrophobicContact CE1-CG2 4.44Å; F56-I106 HydrophobicContact CZ-CD1 4.42Å; F56-I106 HydrophobicContact CZ-CG2 3.91Å
57L92.3Very high87.4Confident6 Ų646 Ų463%0.03125%0.252CS..Hα-helixtrans-64.3-38.6-175.9-67.6174.8000112.1L53 N54 F60 I61 M83 V86 M87L53-L57 HydrophobicContact CD1-CD1 3.92Å; L53-L57 HydrophobicContact CD1-CD2 4.41Å; L53-L57 HydrophobicContact CD1-CG 3.91Å; L53-L57 HydrophobicContact CG-CD1 3.86Å; L53-L57 HydrophobicContact CG-CG 4.25Å; L53-L57 WeakPolarHBondContact O-CB 3.41Å; L53-L57 VanDerWaalsContact O-CG 3.26Å; L53-L57 WeakPolarHBondContact O-CG 3.03Å; L53-L57 PolarHBondContact O-N 3.5Å; N54-L57 PolarHBondContact O-N 3.36Å; L57-F60 PolarHBondContact O-N 2.94Å; L57-I61 WeakPolarHBondContact O-CB 3.45Å; L57-I61 WeakPolarHBondContact O-CD1 3.44Å; L57-I61 VanDerWaalsContact O-CG1 3.25Å; L57-I61 WeakPolarHBondContact O-CG1 3.39Å; L57-I61 PolarHBondContact O-N 3.38Å; L57-M83 HydrophobicContact CB-CE 4.09Å; L57-M83 HydrophobicContact CB-CG 3.83Å; L57-M83 HydrophobicContact CD1-CB 3.95Å; L57-M83 HydrophobicContact CD1-CG 4.01Å; L57-V86 HydrophobicContact CD2-CB 4.04Å; L57-V86 HydrophobicContact CD2-CG1 3.5Å; L57-V86 VanDerWaalsContact CD2-CG1 3.5Å; L57-M87 HydrophobicContact CD1-CG 4.17Å; L57-M87 HydrophobicContact CD1-SD 4.16Å
58R90.9Very high85.7Confident74 Ų7451.8 Ų51.828%0.27928%0.282SS..Hα-helixtrans-60-48.8174.3-75.3-173.4-172.4-95.7-11.4111.3N54 G55 F56 F60 T62 E76 M79 M83N54-R58 WeakPolarHBondContact O-CB 3.45Å; N54-R58 VanDerWaalsContact O-CG 3.31Å; N54-R58 WeakPolarHBondContact O-CG 3.25Å; N54-R58 PolarHBondContact O-N 2.75Å; N54-R58 PolarHBondContact OD1-NE 3.26Å; N54-R58 PolarHBondContact OD1-NH2 3.26Å; G55-R58 PolarHBondContact O-N 3.4Å; F56-R58 VanDerWaalsContact C-N 3.35Å; F56-R58 PolarHBondContact O-N 3.18Å; R58-F60 VanDerWaalsContact C-N 3.32Å; R58-T62 WeakPolarHBondContact O-CB 3.48Å; R58-T62 VanDerWaalsContact O-CG2 3.28Å; R58-T62 WeakPolarHBondContact O-CG2 3.33Å; R58-T62 PolarHBondContact O-N 2.93Å; R58-T62 PolarHBondContact O-OG1 3.29Å; R58-E76 IonicContact CZ-OE1 3.71Å; R58-E76 IonicContact CZ-OE2 3.44Å; R58-E76 IonicContact NH1-OE1 3.79Å; R58-E76 IonicContact NH1-OE2 2.94Å; R58-E76 PolarHBondContact NH1-OE2 3.26Å; R58-E76 IonicContact NH2-OE1 3.97Å; R58-E76 PolarHBondContact NH2-OE1 3.03Å; R58-E76 IonicContact NH2-OE2 2.85Å; R58-E76 PolarHBondContact NH2-OE2 2.86Å; R58-M79 HydrophobicContact CG-CE 4.48Å; R58-M79 HydrophobicContact CG-CG 4.35Å; R58-M79 HydrophobicContact CG-SD 4.26Å; R58-M83 HydrophobicContact CB-CE 4.19Å; R58-M83 HydrophobicContact CG-CE 3.14Å
59E90.5Very high83.9Confident38 Ų3855.8 Ų55.818%0.17830%0.302CS..Hα-helixtrans-67.1-37.4179.3-70.9-160.6-175.500111.4N12 F13 L14 Y40 G55 F56 T62 S63N12-E59 WeakPolarHBondContact ND2-CA 3.16Å; N12-E59 PolarHBondContact ND2-O 2.92Å; F13-E59 WeakPolarHBondContact CB-OE2 3.11Å; F13-E59 PolarHBondContact N-OE2 2.83Å; L14-E59 HydrophobicContact CD1-CB 4.15Å; Y40-E59 WeakPolarHBondContact OH-CB 3.17Å; Y40-E59 PolarHBondContact OH-OE2 3.12Å; G55-E59 PolarHBondContact O-N 3.48Å; G55-E59 VanDerWaalsContact O-N 3.09Å; F56-E59 PolarHBondContact O-N 2.95Å; E59-T62 WeakPolarHBondContact CA-OG1 3.49Å; E59-T62 PolarHBondContact O-N 3.32Å; E59-T62 PolarHBondContact O-OG1 2.61Å; E59-S63 WeakPolarHBondContact O-CB 3.49Å; E59-S63 PolarHBondContact O-N 2.8Å; E59-S63 PolarHBondContact O-OG 2.9Å
60F89.7Confident81.9Confident24 Ų2454.7 Ų54.711%0.10531%0.306CS..Hα-helixtrans-61.1-50.1176.8-179.4-102.8000111.4L14 F25 F56 L57 R58 S63 V86 I106L14-F60 HydrophobicContact CD1-CB 3.81Å; L14-F60 HydrophobicContact CD1-CD2 4.28Å; F25-F60 HydrophobicContact CE2-CD2 4.4Å; F25-F60 AromaticContact CE2-CE2 3.73Å; F25-F60 HydrophobicContact CE2-CE2 3.73Å; F25-F60 HydrophobicContact CZ-CD2 4.18Å; F25-F60 AromaticContact CZ-CE2 3.95Å; F25-F60 HydrophobicContact CZ-CE2 3.95Å; F56-F60 HydrophobicContact CE1-CB 4.49Å; F56-F60 HydrophobicContact CE2-CB 4.46Å; F56-F60 HydrophobicContact CZ-CB 4.26Å; F56-F60 HydrophobicContact CZ-CD2 4.21Å; F56-F60 HydrophobicContact CZ-CG 4.36Å; F56-F60 VanDerWaalsContact O-CB 3.29Å; F56-F60 WeakPolarHBondContact O-CB 3.49Å; F56-F60 PolarHBondContact O-N 2.82Å; L57-F60 PolarHBondContact O-N 2.94Å; R58-F60 VanDerWaalsContact C-N 3.32Å; F60-S63 PolarHBondContact O-N 3.22Å; F60-S63 PolarHBondContact O-OG 3.12Å; F60-V86 HydrophobicContact CD1-CG2 4.33Å; F60-V86 HydrophobicContact CE1-CG1 4.47Å; F60-V86 HydrophobicContact CE1-CG2 4.22Å; F60-I106 HydrophobicContact CD2-CG2 3.86Å; F60-I106 HydrophobicContact CE1-CG2 4.23Å; F60-I106 HydrophobicContact CE2-CG2 3.3Å; F60-I106 HydrophobicContact CZ-CG2 3.53Å
61I87.8Confident80.2Confident16 Ų1656.2 Ų56.28%0.08231%0.308CS..Hα-helixtrans-65-48.5178.8-68.4161.5000110.7L57 S63 V64 I74 M79 L82 M83L57-I61 WeakPolarHBondContact O-CB 3.45Å; L57-I61 WeakPolarHBondContact O-CD1 3.44Å; L57-I61 VanDerWaalsContact O-CG1 3.25Å; L57-I61 WeakPolarHBondContact O-CG1 3.39Å; L57-I61 PolarHBondContact O-N 3.38Å; I61-S63 VanDerWaalsContact C-N 3.28Å; I61-S63 PolarHBondContact O-N 3.19Å; I61-V64 PolarHBondContact O-N 2.86Å; I61-I74 HydrophobicContact CG2-CD1 3.97Å; I61-M79 HydrophobicContact CB-SD 4.17Å; I61-M79 HydrophobicContact CD1-SD 3.69Å; I61-M79 HydrophobicContact CG2-CE 4.36Å; I61-M79 HydrophobicContact CG2-SD 4.04Å; I61-L82 HydrophobicContact CD1-CB 3.62Å; I61-L82 HydrophobicContact CG1-CB 4.26Å; I61-L82 HydrophobicContact CG2-CB 4.44Å; I61-L82 HydrophobicContact CG2-CD1 3.72Å; I61-M83 HydrophobicContact CD1-CG 3.79Å
62T86Confident78.5Confident29 Ų2956.2 Ų56.218%0.17831%0.308CS..Hα-helixtrans-69.5-26.1-177.854.90000112.8N12 R58 E59 V64 I65 I74 M79N12-T62 PolarHBondContact ND2-OG1 3.47Å; R58-T62 WeakPolarHBondContact O-CB 3.48Å; R58-T62 VanDerWaalsContact O-CG2 3.28Å; R58-T62 WeakPolarHBondContact O-CG2 3.33Å; R58-T62 PolarHBondContact O-N 2.93Å; R58-T62 PolarHBondContact O-OG1 3.29Å; E59-T62 WeakPolarHBondContact CA-OG1 3.49Å; E59-T62 PolarHBondContact O-N 3.32Å; E59-T62 PolarHBondContact O-OG1 2.61Å; T62-V64 PolarHBondContact O-N 3.24Å; T62-I65 PolarHBondContact O-N 3.02Å; T62-I74 HydrophobicContact CG2-CD1 4.38Å; T62-M79 HydrophobicContact CG2-CE 3.89Å
63S84.8Confident76.9Confident7 Ų760.8 Ų60.85%0.04933%0.332CS..Hα-helixtrans-67.1-20.9177.469.20000113.6N12 R18 E59 F60 I61N12-S63 PolarHBondContact ND2-N 3.11Å; R18-S63 WeakPolarHBondContact CD-O 3.27Å; R18-S63 PolarHBondContact NE-OG 3.16Å; R18-S63 PolarHBondContact NH2-OG 2.9Å; E59-S63 WeakPolarHBondContact O-CB 3.49Å; E59-S63 PolarHBondContact O-N 2.8Å; E59-S63 PolarHBondContact O-OG 2.9Å; F60-S63 PolarHBondContact O-N 3.22Å; F60-S63 PolarHBondContact O-OG 3.12Å; I61-S63 VanDerWaalsContact C-N 3.28Å; I61-S63 PolarHBondContact O-N 3.19Å
64V79.5Confident75.9Confident72 Ų7261.8 Ų61.844%0.43634%0.337SS..Hα-helixtrans-81.4-22.3174.6-1750000111.2R18 I61 T62R18-V64 VanDerWaalsContact NH2-CG2 3.28Å; I61-V64 PolarHBondContact O-N 2.86Å; T62-V64 PolarHBondContact O-N 3.24Å
65I71.7Confident75.5Confident45 Ų4562.8 Ų62.823%0.23135%0.347CS..SBendtrans-86.8125.9-174.6-63.4169.9000108.2T62 D67 I69 I74T62-I65 PolarHBondContact O-N 3.02Å; I65-D67 PolarHBondContact O-N 3.39Å; I65-I69 HydrophobicContact CG2-CB 3.84Å; I65-I69 HydrophobicContact CG2-CG2 3.94Å; I65-I74 HydrophobicContact CD1-CD1 3.12Å; I65-I74 HydrophobicContact CD1-CG1 3.82Å
66P64Low75.2Confident37 Ų3765.6 Ų65.624%0.2435%0.352CS..  trans-53.8136.4176.4-22.729.1000111.7E68 I69P66-E68 PolarHBondContact O-N 3.14Å; P66-I69 HydrophobicContact CB-CG1 4.47Å; P66-I69 HydrophobicContact CG-CD1 4.23Å; P66-I69 WeakPolarHBondContact O-CB 2.95Å; P66-I69 PolarHBondContact O-N 3.39Å
67D61.8Low74.9Confident153 Ų15370 Ų7082%0.81838%0.379SS*.THydrogen-bonded Turntrans-52.7-28.6177.7-72.8-31.7000112.4I65 I69 G70I65-D67 PolarHBondContact O-N 3.39Å; D67-I69 PolarHBondContact O-N 3.1Å; D67-G70 PolarHBondContact O-N 3.42Å
68E55.3Low74.7Confident192 Ų19271.1 Ų71.190%0.89739%0.389SS*.THydrogen-bonded Turntrans-60.8-24.4177.1-61.2177.1170.400113.5P66P66-E68 PolarHBondContact O-N 3.14Å
69I54.9Low74.5Confident84 Ų8468 Ų6843%0.43138%0.378SS..THydrogen-bonded Turntrans-89.7-22.7178.9-58.8-176.8000110I65 P66 D67 I73I65-I69 HydrophobicContact CG2-CB 3.84Å; I65-I69 HydrophobicContact CG2-CG2 3.94Å; P66-I69 HydrophobicContact CB-CG1 4.47Å; P66-I69 HydrophobicContact CG-CD1 4.23Å; P66-I69 WeakPolarHBondContact O-CB 2.95Å; P66-I69 PolarHBondContact O-N 3.39Å; D67-I69 PolarHBondContact O-N 3.1Å; I69-I73 HydrophobicContact CG2-CB 4.25Å; I69-I73 HydrophobicContact CG2-CD1 3.72Å; I69-I73 HydrophobicContact CG2-CG1 4.35Å; I69-I73 HydrophobicContact CG2-CG2 4.41Å; I69-I73 WeakPolarHBondContact O-CD1 3.19Å; I69-I73 WeakPolarHBondContact O-CG1 3.36Å
70G53.6Low74.6Confident34 Ų3471.4 Ų71.435%0.35139%0.394SS..  trans68.7139.4178.400000113.6D67 E72 I73D67-G70 PolarHBondContact O-N 3.42Å; G70-E72 PolarHBondContact O-N 2.91Å; G70-I73 PolarHBondContact O-N 3.38Å
71S56.8Low74.7Confident91 Ų9176 Ų7664%0.63642%0.416SS*.G310 helixtrans-63.3-15.4-178.967.20000114I73S71-I73 VanDerWaalsContact C-N 3.26Å; S71-I73 PolarHBondContact O-N 2.93Å
72E58.5Low74.8Confident158 Ų15878.2 Ų78.274%0.73843%0.427SS*.G310 helixtrans-76-4.8-179.1-72.5-169.9158.200114.2K7 G70K7-E72 IonicContact NZ-OE1 3.84Å; G70-E72 PolarHBondContact O-N 2.91Å
73I62.7Low75.1Confident121 Ų12177.8 Ų77.862%0.62142%0.423SS*.G310 helixtrans-85.2-23.5-177.2-62.9-165000113.2I69 G70 S71 S75I69-I73 HydrophobicContact CG2-CB 4.25Å; I69-I73 HydrophobicContact CG2-CD1 3.72Å; I69-I73 HydrophobicContact CG2-CG1 4.35Å; I69-I73 HydrophobicContact CG2-CG2 4.41Å; I69-I73 WeakPolarHBondContact O-CD1 3.19Å; I69-I73 WeakPolarHBondContact O-CG1 3.36Å; G70-I73 PolarHBondContact O-N 3.38Å; S71-I73 VanDerWaalsContact C-N 3.26Å; S71-I73 PolarHBondContact O-N 2.93Å; I73-S75 PolarHBondContact O-N 2.94Å
74I72.6Confident75.5Confident37 Ų3781.2 Ų81.219%0.1944%0.444CS..SBendtrans-80.9116.5177.6-50.2173000108.6I61 T62 I65 A78 M79I61-I74 HydrophobicContact CG2-CD1 3.97Å; T62-I74 HydrophobicContact CG2-CD1 4.38Å; I65-I74 HydrophobicContact CD1-CD1 3.12Å; I65-I74 HydrophobicContact CD1-CG1 3.82Å; I74-A78 HydrophobicContact CG2-CB 3.81Å; I74-M79 HydrophobicContact CB-CE 4.31Å; I74-M79 HydrophobicContact CD1-CE 3.74Å; I74-M79 HydrophobicContact CG2-CB 3.99Å; I74-M79 HydrophobicContact CG2-CE 4.29Å
75S84.5Confident76.2Confident68 Ų6883.8 Ų83.848%0.47645%0.451SS..  trans-61.7148.3171.173.60000110I73 T77 A78 M79I73-S75 PolarHBondContact O-N 2.94Å; S75-T77 PolarHBondContact O-N 2.94Å; S75-T77 VanDerWaalsContact O-N 3.14Å; S75-A78 PolarHBondContact O-N 2.92Å; S75-A78 WeakPolarHBondContact OG-CB 3.44Å; S75-A78 PolarHBondContact OG-N 3.43Å; S75-M79 PolarHBondContact O-N 3.35Å
76E87.1Confident77.1Confident92 Ų9282.5 Ų82.543%0.4345%0.446SS..Hα-helixtrans-55.9-35.7179.4-173.355.9-151.600112.3R58 M79 Q80R58-E76 IonicContact CZ-OE1 3.71Å; R58-E76 IonicContact CZ-OE2 3.44Å; R58-E76 IonicContact NH1-OE1 3.79Å; R58-E76 IonicContact NH1-OE2 2.94Å; R58-E76 PolarHBondContact NH1-OE2 3.26Å; R58-E76 IonicContact NH2-OE1 3.97Å; R58-E76 PolarHBondContact NH2-OE1 3.03Å; R58-E76 IonicContact NH2-OE2 2.85Å; R58-E76 PolarHBondContact NH2-OE2 2.86Å; E76-M79 PolarHBondContact O-N 2.9Å; E76-Q80 WeakPolarHBondContact O-CG 3.42Å; E76-Q80 PolarHBondContact O-N 2.99Å
77T87.8Confident78.5Confident92 Ų9282 Ų8256%0.56444%0.44SS*.Hα-helixtrans-65.4-41.2174.5-48.10000112.7S75 Q80 Q81S75-T77 PolarHBondContact O-N 2.94Å; S75-T77 VanDerWaalsContact O-N 3.14Å; T77-Q80 PolarHBondContact O-N 3.38Å; T77-Q81 WeakPolarHBondContact O-CG 3.22Å; T77-Q81 PolarHBondContact O-N 3.34Å; T77-Q81 VanDerWaalsContact O-N 3.15Å
78A87.4Confident80Confident30 Ų3080.2 Ų80.225%0.24843%0.431CS..Hα-helixtrans-69.5-36176.600000111.5I74 S75 Q81 L82I74-A78 HydrophobicContact CG2-CB 3.81Å; S75-A78 PolarHBondContact O-N 2.92Å; S75-A78 WeakPolarHBondContact OG-CB 3.44Å; S75-A78 PolarHBondContact OG-N 3.43Å; A78-Q81 PolarHBondContact O-N 3.02Å; A78-L82 WeakPolarHBondContact O-CG 3.01Å; A78-L82 PolarHBondContact O-N 3.18Å
79M88.4Confident81.7Confident9 Ų974.1 Ų74.14%0.04441%0.414CS..Hα-helixtrans-60.5-47.8174.5-176.961.976.900110.9R58 I61 T62 I74 S75 E76 Q81 L82 M83R58-M79 HydrophobicContact CG-CE 4.48Å; R58-M79 HydrophobicContact CG-CG 4.35Å; R58-M79 HydrophobicContact CG-SD 4.26Å; I61-M79 HydrophobicContact CB-SD 4.17Å; I61-M79 HydrophobicContact CD1-SD 3.69Å; I61-M79 HydrophobicContact CG2-CE 4.36Å; I61-M79 HydrophobicContact CG2-SD 4.04Å; T62-M79 HydrophobicContact CG2-CE 3.89Å; I74-M79 HydrophobicContact CB-CE 4.31Å; I74-M79 HydrophobicContact CD1-CE 3.74Å; I74-M79 HydrophobicContact CG2-CB 3.99Å; I74-M79 HydrophobicContact CG2-CE 4.29Å; S75-M79 PolarHBondContact O-N 3.35Å; E76-M79 PolarHBondContact O-N 2.9Å; M79-Q81 VanDerWaalsContact C-N 3.31Å; M79-Q81 PolarHBondContact O-N 3.2Å; M79-L82 PolarHBondContact O-N 3.25Å; M79-M83 HydrophobicContact CG-CE 3.6Å; M79-M83 HydrophobicContact CG-SD 4.07Å; M79-M83 VanDerWaalsContact O-CG 3.25Å; M79-M83 WeakPolarHBondContact O-CG 3.28Å; M79-M83 PolarHBondContact O-N 3.04Å; M79-M83 HydrophobicContact SD-CE 3.92Å
80Q91.1Very high83.5Confident109 Ų10973.4 Ų73.451%0.50941%0.406SS..Hα-helixtrans-60.2-40.1177.1-73.4-178.8-9.900112.5E76 T77 M83 T84E76-Q80 WeakPolarHBondContact O-CG 3.42Å; E76-Q80 PolarHBondContact O-N 2.99Å; T77-Q80 PolarHBondContact O-N 3.38Å; Q80-M83 WeakPolarHBondContact O-CB 3.4Å; Q80-M83 PolarHBondContact O-N 3.35Å; Q80-T84 PolarHBondContact O-N 3.09Å; Q80-T84 PolarHBondContact O-OG1 3.04Å; Q80-T84 VanDerWaalsContact O-OG1 3.05Å
81Q91.9Very high85.3Confident120 Ų12072.2 Ų72.256%0.56139%0.392SS*.Hα-helixtrans-62.7-46176.1-73.6174.9-23.100112T77 A78 M79 M83 T84 E85T77-Q81 WeakPolarHBondContact O-CG 3.22Å; T77-Q81 PolarHBondContact O-N 3.34Å; T77-Q81 VanDerWaalsContact O-N 3.15Å; A78-Q81 PolarHBondContact O-N 3.02Å; M79-Q81 VanDerWaalsContact C-N 3.31Å; M79-Q81 PolarHBondContact O-N 3.2Å; Q81-M83 VanDerWaalsContact C-N 3.33Å; Q81-M83 PolarHBondContact O-N 2.87Å; Q81-T84 PolarHBondContact O-N 2.82Å; Q81-E85 WeakPolarHBondContact O-CG 3.4Å; Q81-E85 PolarHBondContact O-N 2.73Å
82L90.7Very high86.6Confident62 Ų6273.6 Ų73.633%0.32539%0.388SS..Hα-helixtrans-64-38.6177.2-70.4170.3000111.9I61 A78 M79 E85 V86I61-L82 HydrophobicContact CD1-CB 3.62Å; I61-L82 HydrophobicContact CG1-CB 4.26Å; I61-L82 HydrophobicContact CG2-CB 4.44Å; I61-L82 HydrophobicContact CG2-CD1 3.72Å; A78-L82 WeakPolarHBondContact O-CG 3.01Å; A78-L82 PolarHBondContact O-N 3.18Å; M79-L82 PolarHBondContact O-N 3.25Å; L82-E85 PolarHBondContact O-N 2.79Å; L82-V86 WeakPolarHBondContact O-CG2 3.24Å; L82-V86 PolarHBondContact O-N 2.91Å
83M92.9Very high87.8Confident20 Ų2070.2 Ų70.210%0.09938%0.375CS..Hα-helixtrans-60.4-45.7173.6-72169.9167.700111.6N54 L57 R58 I61 M79 Q80 Q81 E85 V86 M87N54-M83 VanDerWaalsContact OD1-CE 3.25Å; N54-M83 WeakPolarHBondContact OD1-CE 3Å; L57-M83 HydrophobicContact CB-CE 4.09Å; L57-M83 HydrophobicContact CB-CG 3.83Å; L57-M83 HydrophobicContact CD1-CB 3.95Å; L57-M83 HydrophobicContact CD1-CG 4.01Å; R58-M83 HydrophobicContact CB-CE 4.19Å; R58-M83 HydrophobicContact CG-CE 3.14Å; I61-M83 HydrophobicContact CD1-CG 3.79Å; M79-M83 HydrophobicContact CG-CE 3.6Å; M79-M83 HydrophobicContact CG-SD 4.07Å; M79-M83 VanDerWaalsContact O-CG 3.25Å; M79-M83 WeakPolarHBondContact O-CG 3.28Å; M79-M83 PolarHBondContact O-N 3.04Å; M79-M83 HydrophobicContact SD-CE 3.92Å; Q80-M83 WeakPolarHBondContact O-CB 3.4Å; Q80-M83 PolarHBondContact O-N 3.35Å; Q81-M83 VanDerWaalsContact C-N 3.33Å; Q81-M83 PolarHBondContact O-N 2.87Å; M83-E85 VanDerWaalsContact C-N 3.33Å; M83-E85 PolarHBondContact O-N 3.44Å; M83-V86 PolarHBondContact O-N 3.26Å; M83-M87 WeakPolarHBondContact O-CG 3.42Å; M83-M87 PolarHBondContact O-N 2.91Å
84T93Very high89Confident79 Ų7970.2 Ų70.249%0.48538%0.376SS..Hα-helixtrans-60.7-43.1175.7-57.30000111.4Q80 Q81 V86 M87 D88Q80-T84 PolarHBondContact O-N 3.09Å; Q80-T84 PolarHBondContact O-OG1 3.04Å; Q80-T84 VanDerWaalsContact O-OG1 3.05Å; Q81-T84 PolarHBondContact O-N 2.82Å; T84-V86 VanDerWaalsContact C-N 3.31Å; T84-V86 PolarHBondContact O-N 2.93Å; T84-M87 PolarHBondContact O-N 3.45Å; T84-D88 WeakPolarHBondContact O-CB 3.29Å; T84-D88 VanDerWaalsContact O-CG 3.31Å; T84-D88 PolarHBondContact O-N 3.44Å
85E92.7Very high89.8Confident126 Ų12671.7 Ų71.759%0.58938%0.384SS*.Hα-helixtrans-62.8-36.4176.8-72.5178.4-169.700112.8Q81 L82 M83 A89Q81-E85 WeakPolarHBondContact O-CG 3.4Å; Q81-E85 PolarHBondContact O-N 2.73Å; L82-E85 PolarHBondContact O-N 2.79Å; M83-E85 VanDerWaalsContact C-N 3.33Å; M83-E85 PolarHBondContact O-N 3.44Å; E85-A89 WeakPolarHBondContact O-CB 3.5Å; E85-A89 PolarHBondContact O-N 2.87Å
86V91.7Very high90.2Very high19 Ų1970.4 Ų70.412%0.11538%0.382CS..Hα-helixtrans-67.3-45.7174.2174.70000110.3L57 F60 L82 M83 T84 A89 Y90L57-V86 HydrophobicContact CD2-CB 4.04Å; L57-V86 HydrophobicContact CD2-CG1 3.5Å; L57-V86 VanDerWaalsContact CD2-CG1 3.5Å; F60-V86 HydrophobicContact CD1-CG2 4.33Å; F60-V86 HydrophobicContact CE1-CG1 4.47Å; F60-V86 HydrophobicContact CE1-CG2 4.22Å; L82-V86 WeakPolarHBondContact O-CG2 3.24Å; L82-V86 PolarHBondContact O-N 2.91Å; M83-V86 PolarHBondContact O-N 3.26Å; T84-V86 VanDerWaalsContact C-N 3.31Å; T84-V86 PolarHBondContact O-N 2.93Å; V86-A89 PolarHBondContact O-N 2.62Å; V86-Y90 HydrophobicContact CG1-CD2 3.93Å; V86-Y90 HydrophobicContact CG1-CE2 4.36Å; V86-Y90 VanDerWaalsContact O-CD2 3.27Å; V86-Y90 WeakPolarHBondContact O-CD2 3.29Å; V86-Y90 PolarHBondContact O-N 3.49Å; V86-Y90 VanDerWaalsContact O-N 3.16Å
87M93.7Very high90.5Very high25 Ų2570.3 Ų70.312%0.12338%0.378CS..Hα-helixtrans-60.9-48.4177.1-68.5-58.4-68.500111.4L53 L57 M83 T84 A89 Y90 D91 I98L53-M87 HydrophobicContact CD1-SD 3.99Å; L53-M87 HydrophobicContact CD2-CE 3.83Å; L53-M87 HydrophobicContact CD2-SD 3.86Å; L53-M87 HydrophobicContact CG-SD 4.37Å; L57-M87 HydrophobicContact CD1-CG 4.17Å; L57-M87 HydrophobicContact CD1-SD 4.16Å; M83-M87 WeakPolarHBondContact O-CG 3.42Å; M83-M87 PolarHBondContact O-N 2.91Å; T84-M87 PolarHBondContact O-N 3.45Å; M87-A89 PolarHBondContact O-N 3.33Å; M87-Y90 PolarHBondContact O-N 2.91Å; M87-Y90 VanDerWaalsContact O-N 3.12Å; M87-D91 HydrophobicContact CE-CB 3.65Å; M87-D91 WeakPolarHBondContact CE-OD2 3.48Å; M87-D91 VanDerWaalsContact O-CB 3.29Å; M87-D91 WeakPolarHBondContact O-CB 3.38Å; M87-D91 PolarHBondContact O-N 3.48Å; M87-I98 HydrophobicContact CE-CD1 4.1Å; M87-I98 HydrophobicContact CE-CG1 4.18Å; M87-I98 HydrophobicContact SD-CD1 3.87Å; M87-I98 HydrophobicContact SD-CG1 3.87Å
88D93.1Very high90.7Very high117 Ų11766 Ų6663%0.62635%0.351SS*.Hα-helixtrans-58-24.5178.2-73.6-11.2000113.2T84T84-D88 WeakPolarHBondContact O-CB 3.29Å; T84-D88 VanDerWaalsContact O-CG 3.31Å; T84-D88 PolarHBondContact O-N 3.44Å
89A91.5Very high90.7Very high64 Ų6465.8 Ų65.853%0.52935%0.346SS..Hα-helixtrans-87.8-30.7179.900000114E85 V86 M87E85-A89 WeakPolarHBondContact O-CB 3.5Å; E85-A89 PolarHBondContact O-N 2.87Å; V86-A89 PolarHBondContact O-N 2.62Å; M87-A89 PolarHBondContact O-N 3.33Å
90Y91Very high90.6Very high68 Ų6865.5 Ų65.527%0.26735%0.345SS..Hα-helixtrans-125.9-22.9-167.7-62.5-75000115.3V86 M87 E92 E102 Q105 I106V86-Y90 HydrophobicContact CG1-CD2 3.93Å; V86-Y90 HydrophobicContact CG1-CE2 4.36Å; V86-Y90 VanDerWaalsContact O-CD2 3.27Å; V86-Y90 WeakPolarHBondContact O-CD2 3.29Å; V86-Y90 PolarHBondContact O-N 3.49Å; V86-Y90 VanDerWaalsContact O-N 3.16Å; M87-Y90 PolarHBondContact O-N 2.91Å; M87-Y90 VanDerWaalsContact O-N 3.12Å; Y90-E92 VanDerWaalsContact C-N 3.32Å; Y90-E92 PolarHBondContact O-N 3.24Å; Y90-E102 VanDerWaalsContact O-CG 3.3Å; Y90-E102 WeakPolarHBondContact O-CG 3.33Å; Y90-Q105 HydrophobicContact CD1-CB 3.87Å; Y90-Q105 HydrophobicContact CE1-CB 4.15Å; Y90-I106 HydrophobicContact CD1-CG1 3.63Å; Y90-I106 HydrophobicContact CD2-CD1 4.16Å; Y90-I106 HydrophobicContact CD2-CG1 3.6Å; Y90-I106 HydrophobicContact CE1-CG1 4.03Å; Y90-I106 HydrophobicContact CE2-CG1 4.03Å; Y90-I106 HydrophobicContact CG-CD1 4.02Å; Y90-I106 HydrophobicContact CG-CG1 3.39Å
91D91.3Very high90.1Very high10 Ų1061 Ų615%0.05332%0.324CS..  trans-77.485.2170.2176.80.3000108.2M87 N93 N94 D95 G96 I98M87-D91 HydrophobicContact CE-CB 3.65Å; M87-D91 WeakPolarHBondContact CE-OD2 3.48Å; M87-D91 VanDerWaalsContact O-CB 3.29Å; M87-D91 WeakPolarHBondContact O-CB 3.38Å; M87-D91 PolarHBondContact O-N 3.48Å; D91-N93 VanDerWaalsContact C-N 3.29Å; D91-N93 PolarHBondContact O-N 3.5Å; D91-N93 PolarHBondContact OD1-OD1 3.41Å; D91-N94 WeakPolarHBondContact OD1-CA 3.29Å; D91-N94 PolarHBondContact OD1-N 2.87Å; D91-N94 WeakPolarHBondContact OD2-CA 3.29Å; D91-D95 PolarHBondContact OD1-N 2.9Å; D91-G96 WeakPolarHBondContact OD2-CA 3.5Å; D91-G96 PolarHBondContact OD2-N 3.28Å; D91-I98 HydrophobicContact CB-CD1 4.21Å
92E85.1Confident90Very high120 Ų12055.5 Ų55.556%0.56130%0.299SS*.SBendtrans-68.1-33.6-172.9-71.9-175.4171.100111.3Y90 N94 E102 Q105Y90-E92 VanDerWaalsContact C-N 3.32Å; Y90-E92 PolarHBondContact O-N 3.24Å; E92-N94 PolarHBondContact O-ND2 3.29Å; E92-E102 PolarHBondContact N-OE1 2.89Å; E92-Q105 PolarHBondContact OE1-NE2 2.68Å
93N83.6Confident89.9Confident86 Ų8652.6 Ų52.646%0.4628%0.283SS..SBendtrans-90.8-9.2-174.777.616.6000112.9D91 D95D91-N93 VanDerWaalsContact C-N 3.29Å; D91-N93 PolarHBondContact O-N 3.5Å; D91-N93 PolarHBondContact OD1-OD1 3.41Å; N93-D95 VanDerWaalsContact C-N 3.28Å; N93-D95 PolarHBondContact ND2-OD2 3.31Å; N93-D95 PolarHBondContact O-N 2.85Å; N93-D95 WeakPolarHBondContact OD1-CB 3.34Å; N93-D95 PolarHBondContact OD1-N 2.97Å; N93-D95 PolarHBondContact OD1-OD1 3.26Å; N93-D95 PolarHBondContact OD1-OD2 3.37Å
94N87.9Confident89.4Confident122 Ų12252 Ų5265%0.65228%0.281SS*.  trans56.935.6-178.3-61.6-98.6000113.3D91 E92 G96D91-N94 WeakPolarHBondContact OD1-CA 3.29Å; D91-N94 PolarHBondContact OD1-N 2.87Å; D91-N94 WeakPolarHBondContact OD2-CA 3.29Å; E92-N94 PolarHBondContact O-ND2 3.29Å; N94-G96 VanDerWaalsContact C-N 3.29Å
95D89.4Confident89Confident67 Ų6752.4 Ų52.436%0.35828%0.277SS..SBendtrans-85.4-5.1176.875.814.4000113.1D91 N93 R97D91-D95 PolarHBondContact OD1-N 2.9Å; N93-D95 VanDerWaalsContact C-N 3.28Å; N93-D95 PolarHBondContact ND2-OD2 3.31Å; N93-D95 PolarHBondContact O-N 2.85Å; N93-D95 WeakPolarHBondContact OD1-CB 3.34Å; N93-D95 PolarHBondContact OD1-N 2.97Å; N93-D95 PolarHBondContact OD1-OD1 3.26Å; N93-D95 PolarHBondContact OD1-OD2 3.37Å; D95-R97 VanDerWaalsContact C-N 3.32Å; D95-R97 WeakPolarHBondContact OD1-CA 3.26Å; D95-R97 WeakPolarHBondContact OD1-CB 3.47Å; D95-R97 WeakPolarHBondContact OD1-CG 3.41Å; D95-R97 PolarHBondContact OD1-N 3.42Å
96G91.9Very high88.7Confident42 Ų4246.8 Ų46.843%0.43325%0.251SS..SBendtrans79.414178.700000113.7L53 D91 N94L53-G96 WeakPolarHBondContact CD2-O 3.25Å; D91-G96 WeakPolarHBondContact OD2-CA 3.5Å; D91-G96 PolarHBondContact OD2-N 3.28Å; N94-G96 VanDerWaalsContact C-N 3.29Å
97R94Very high88.4Confident90 Ų9046 Ų4634%0.3425%0.246SC..SBendtrans-124.1168.6178.1-41.8176.9-165.1-140-11.5108.7Y47 L48 E49 D95Y47-R97 HydrophobicContact CD1-CB 4.33Å; L48-R97 WeakPolarHBondContact O-CA 3.4Å; E49-R97 HydrophobicContact CB-CB 4.26Å; E49-R97 HydrophobicContact CB-CG 3.92Å; E49-R97 VanDerWaalsContact CD-NH1 3.28Å; E49-R97 IonicContact OE1-CZ 2.86Å; E49-R97 IonicContact OE1-NH1 3.24Å; E49-R97 PolarHBondContact OE1-NH1 3.37Å; E49-R97 WeakPolarHBondContact OE2-CD 3.42Å; E49-R97 IonicContact OE2-CZ 3.18Å; E49-R97 IonicContact OE2-NE 3.69Å; E49-R97 PolarHBondContact OE2-NE 2.91Å; E49-R97 IonicContact OE2-NH1 3.89Å; E49-R97 PolarHBondContact OE2-NH1 3.14Å; E49-R97 IonicContact OE2-NH2 2.72Å; E49-R97 PolarHBondContact OE2-NH2 3.29Å; D95-R97 VanDerWaalsContact C-N 3.32Å; D95-R97 WeakPolarHBondContact OD1-CA 3.26Å; D95-R97 WeakPolarHBondContact OD1-CB 3.47Å; D95-R97 WeakPolarHBondContact OD1-CG 3.41Å; D95-R97 PolarHBondContact OD1-N 3.42Å
98I91.7Very high87.7Confident0 Ų047.7 Ų47.70%026%0.259CS..EExtended strand (participates in β ladder)trans-118.4115.3170.1-66.6-66.2000108.5Y47 L48 L53 M87 D91 E102 L103 I106Y47-I98 WeakPolarHBondContact CA-O 3.34Å; L48-I98 HydrophobicContact CB-CB 4.22Å; L48-I98 HydrophobicContact CD1-CG2 4.43Å; L48-I98 PolarHBondContact N-O 2.51Å; L48-I98 PolarHBondContact O-N 2.56Å; L53-I98 HydrophobicContact CD1-CB 4.21Å; L53-I98 HydrophobicContact CD1-CG1 3.61Å; M87-I98 HydrophobicContact CE-CD1 4.1Å; M87-I98 HydrophobicContact CE-CG1 4.18Å; M87-I98 HydrophobicContact SD-CD1 3.87Å; M87-I98 HydrophobicContact SD-CG1 3.87Å; D91-I98 HydrophobicContact CB-CD1 4.21Å; I98-E102 WeakPolarHBondContact CA-OE2 3.13Å; I98-E102 HydrophobicContact CD1-CB 4.18Å; I98-E102 HydrophobicContact CG2-CB 3.99Å; I98-L103 HydrophobicContact CG2-CB 3.94Å; I98-L103 HydrophobicContact CG2-CD1 4.49Å; I98-I106 HydrophobicContact CD1-CD1 4.25Å; I98-I106 HydrophobicContact CG2-CD1 4.28Å
99D88.6Confident87Confident26 Ų2642.5 Ų42.514%0.13923%0.232CC..EExtended strand (participates in β ladder)trans-80.1168.5170.286.834.8000111.7Y47 N101 E102 L103Y47-D99 HydrophobicContact CD1-CB 3.95Å; Y47-D99 HydrophobicContact CE1-CB 3.94Å; D99-N101 PolarHBondContact O-N 3.36Å; D99-N101 VanDerWaalsContact OD1-CA 3.29Å; D99-N101 WeakPolarHBondContact OD1-CA 3.48Å; D99-N101 WeakPolarHBondContact OD1-CB 3.44Å; D99-N101 PolarHBondContact OD1-N 3.2Å; D99-N101 PolarHBondContact OD1-ND2 2.96Å; D99-E102 PolarHBondContact N-OE2 2.92Å; D99-E102 PolarHBondContact O-N 3.01Å; D99-E102 VanDerWaalsContact O-N 3.17Å; D99-E102 PolarHBondContact OD1-N 3.08Å; D99-L103 PolarHBondContact O-N 3.36Å
100I85.8Confident86.3Confident4 Ų441 Ų412%0.02121%0.214CC..Hα-helixtrans-58-32.1-177.3-166.7173000114.1F33 W37 C104 F117 L179 F180F33-I100 HydrophobicContact CE1-CD1 4.04Å; F33-I100 HydrophobicContact CE1-CG1 3.64Å; F33-I100 HydrophobicContact CZ-CG1 3.82Å; W37-I100 HydrophobicContact CD2-CG1 4.31Å; W37-I100 HydrophobicContact CE3-CB 4.26Å; W37-I100 HydrophobicContact CE3-CG1 4.07Å; W37-I100 HydrophobicContact CH2-CB 4.13Å; W37-I100 HydrophobicContact CZ2-CB 4.42Å; W37-I100 VanDerWaalsContact CZ3-CA 3.43Å; W37-I100 HydrophobicContact CZ3-CB 4.05Å; W37-I100 HydrophobicContact CZ3-CG1 4.34Å; I100-C104 WeakPolarHBondContact O-CB 3.29Å; I100-C104 PolarHBondContact O-N 3.47Å; I100-C104 PolarHBondContact O-SG 3.44Å; I100-F117 HydrophobicContact CD1-CE1 4.5Å; I100-L179 HydrophobicContact CD1-CB 4Å; I100-L179 HydrophobicContact CD1-CD1 3.82Å; I100-L179 HydrophobicContact CD1-CD2 3.81Å; I100-L179 HydrophobicContact CD1-CG 4.06Å; I100-F180 HydrophobicContact CD1-CE2 3.72Å; I100-F180 HydrophobicContact CD1-CZ 3.83Å; I100-F180 HydrophobicContact CG2-CE1 4.27Å; I100-F180 HydrophobicContact CG2-CZ 3.7Å
101N81.4Confident85.4Confident15 Ų1546 Ų468%0.0824%0.24CC..Hα-helixtrans-78.7-36.9-179.3-48.4-89.2000110.8D99 L103 C104 Q105 F117 K198D99-N101 PolarHBondContact O-N 3.36Å; D99-N101 VanDerWaalsContact OD1-CA 3.29Å; D99-N101 WeakPolarHBondContact OD1-CA 3.48Å; D99-N101 WeakPolarHBondContact OD1-CB 3.44Å; D99-N101 PolarHBondContact OD1-N 3.2Å; D99-N101 PolarHBondContact OD1-ND2 2.96Å; N101-L103 VanDerWaalsContact C-N 3.35Å; N101-C104 VanDerWaalsContact O-CB 3.3Å; N101-C104 WeakPolarHBondContact O-CB 3.39Å; N101-C104 PolarHBondContact O-N 3.28Å; N101-Q105 PolarHBondContact O-N 2.99Å; N101-F117 WeakPolarHBondContact OD1-CD1 3.31Å; N101-K198 VanDerWaalsContact CB-NZ 3.28Å; N101-K198 WeakPolarHBondContact ND2-CE 3.04Å; N101-K198 WeakPolarHBondContact OD1-CE 3.3Å
102E87.9Confident84.6Confident4 Ų447.8 Ų47.82%0.01925%0.251CS..Hα-helixtrans-65-42.4172.3-65.3170.7149.500109.8Y90 E92 I98 D99 C104 Q105 I106Y90-E102 VanDerWaalsContact O-CG 3.3Å; Y90-E102 WeakPolarHBondContact O-CG 3.33Å; E92-E102 PolarHBondContact N-OE1 2.89Å; I98-E102 WeakPolarHBondContact CA-OE2 3.13Å; I98-E102 HydrophobicContact CD1-CB 4.18Å; I98-E102 HydrophobicContact CG2-CB 3.99Å; D99-E102 PolarHBondContact N-OE2 2.92Å; D99-E102 PolarHBondContact O-N 3.01Å; D99-E102 VanDerWaalsContact O-N 3.17Å; D99-E102 PolarHBondContact OD1-N 3.08Å; E102-C104 VanDerWaalsContact C-N 3.3Å; E102-C104 PolarHBondContact O-N 3.41Å; E102-Q105 WeakPolarHBondContact O-CB 3.39Å; E102-Q105 PolarHBondContact O-N 2.74Å; E102-I106 WeakPolarHBondContact O-CG1 3.09Å; E102-I106 PolarHBondContact O-N 3.44Å
103L89.1Confident84.2Confident0 Ų042 Ų420%022%0.224CC..Hα-helixtrans-62.8-36.5172.8-169.370.8000112.6F33 W37 L48 F56 I98 D99 N101 Q105 I106 L107F33-L103 HydrophobicContact CE2-CB 4.24Å; F33-L103 HydrophobicContact CE2-CD2 3.9Å; F33-L103 HydrophobicContact CE2-CG 3.93Å; F33-L103 HydrophobicContact CZ-CB 4.16Å; F33-L103 HydrophobicContact CZ-CD2 3.92Å; F33-L103 HydrophobicContact CZ-CG 4.19Å; W37-L103 HydrophobicContact CE3-CB 4.18Å; W37-L103 HydrophobicContact CE3-CD2 3.39Å; W37-L103 HydrophobicContact CE3-CG 4.39Å; W37-L103 HydrophobicContact CZ3-CB 3.82Å; W37-L103 HydrophobicContact CZ3-CD2 3.8Å; W37-L103 HydrophobicContact CZ3-CG 4.4Å; L48-L103 HydrophobicContact CD1-CD1 4.36Å; F56-L103 HydrophobicContact CD2-CD1 4.42Å; F56-L103 HydrophobicContact CE1-CD1 3.81Å; F56-L103 HydrophobicContact CE2-CD1 3.58Å; F56-L103 HydrophobicContact CZ-CD1 3.21Å; I98-L103 HydrophobicContact CG2-CB 3.94Å; I98-L103 HydrophobicContact CG2-CD1 4.49Å; D99-L103 PolarHBondContact O-N 3.36Å; N101-L103 VanDerWaalsContact C-N 3.35Å; L103-Q105 PolarHBondContact O-N 2.83Å; L103-I106 HydrophobicContact CD1-CB 4.34Å; L103-I106 HydrophobicContact CD1-CD1 4.3Å; L103-I106 PolarHBondContact O-N 2.98Å; L103-L107 HydrophobicContact CD1-CD1 4.29Å; L103-L107 HydrophobicContact CD1-CG 4.28Å; L103-L107 HydrophobicContact CD2-CD1 4.03Å; L103-L107 HydrophobicContact CG-CD1 4.01Å; L103-L107 HydrophobicContact CG-CG 4.25Å; L103-L107 PolarHBondContact O-N 2.92Å
104C83.7Confident83.6Confident7 Ų739 Ų395%0.04721%0.208CC..Hα-helixtrans-60.3-24.2173.8-81.40000113.2F33 I100 N101 E102 L114F33-C104 HydrophobicContact CE2-CB 4.36Å; F33-C104 VanDerWaalsContact CE2-SG 3.55Å; F33-C104 WeakPolarHBondContact CZ-SG 3.24Å; I100-C104 WeakPolarHBondContact O-CB 3.29Å; I100-C104 PolarHBondContact O-N 3.47Å; I100-C104 PolarHBondContact O-SG 3.44Å; N101-C104 VanDerWaalsContact O-CB 3.3Å; N101-C104 WeakPolarHBondContact O-CB 3.39Å; N101-C104 PolarHBondContact O-N 3.28Å; E102-C104 VanDerWaalsContact C-N 3.3Å; E102-C104 PolarHBondContact O-N 3.41Å; C104-L114 HydrophobicContact CB-CD2 3.48Å; C104-L114 VanDerWaalsContact CB-CD2 3.48Å
105Q83.1Confident82.7Confident88 Ų8834.2 Ų34.241%0.41119%0.185SC..Hα-helixtrans-82.5-30.8172.7-59.2-167.626.200112.3Y90 E92 N101 E102 L103Y90-Q105 HydrophobicContact CD1-CB 3.87Å; Y90-Q105 HydrophobicContact CE1-CB 4.15Å; E92-Q105 PolarHBondContact OE1-NE2 2.68Å; N101-Q105 PolarHBondContact O-N 2.99Å; E102-Q105 WeakPolarHBondContact O-CB 3.39Å; E102-Q105 PolarHBondContact O-N 2.74Å; L103-Q105 PolarHBondContact O-N 2.83Å
106I88.1Confident81.7Confident8 Ų831.6 Ų31.64%0.04117%0.171CC..Hα-helixtrans-73.6-42.7178.7-62.6169.4000111.3F56 F60 Y90 I98 E102 L103F56-I106 HydrophobicContact CE1-CD1 4.1Å; F56-I106 HydrophobicContact CE1-CG2 4.44Å; F56-I106 HydrophobicContact CZ-CD1 4.42Å; F56-I106 HydrophobicContact CZ-CG2 3.91Å; F60-I106 HydrophobicContact CD2-CG2 3.86Å; F60-I106 HydrophobicContact CE1-CG2 4.23Å; F60-I106 HydrophobicContact CE2-CG2 3.3Å; F60-I106 HydrophobicContact CZ-CG2 3.53Å; Y90-I106 HydrophobicContact CD1-CG1 3.63Å; Y90-I106 HydrophobicContact CD2-CD1 4.16Å; Y90-I106 HydrophobicContact CD2-CG1 3.6Å; Y90-I106 HydrophobicContact CE1-CG1 4.03Å; Y90-I106 HydrophobicContact CE2-CG1 4.03Å; Y90-I106 HydrophobicContact CG-CD1 4.02Å; Y90-I106 HydrophobicContact CG-CG1 3.39Å; I98-I106 HydrophobicContact CD1-CD1 4.25Å; I98-I106 HydrophobicContact CG2-CD1 4.28Å; E102-I106 WeakPolarHBondContact O-CG1 3.09Å; E102-I106 PolarHBondContact O-N 3.44Å; L103-I106 HydrophobicContact CD1-CB 4.34Å; L103-I106 HydrophobicContact CD1-CD1 4.3Å; L103-I106 PolarHBondContact O-N 2.98Å
107L85.1Confident80.5Confident2 Ų230.8 Ų30.81%0.0116%0.155CC..THydrogen-bonded Turntrans-94.8128.8179.1-61.2-179.6000110.1L14 F25 F33 C36 L103 T109L14-L107 HydrophobicContact CD2-CD2 4.13Å; F25-L107 HydrophobicContact CE1-CD2 3.93Å; F25-L107 HydrophobicContact CE2-CD2 4.23Å; F25-L107 HydrophobicContact CZ-CD2 3.61Å; F33-L107 HydrophobicContact CD2-CB 4.4Å; F33-L107 HydrophobicContact CD2-CD1 3.93Å; F33-L107 HydrophobicContact CE2-CD1 4.13Å; C36-L107 HydrophobicContact CB-CD1 4.12Å; L103-L107 HydrophobicContact CD1-CD1 4.29Å; L103-L107 HydrophobicContact CD1-CG 4.28Å; L103-L107 HydrophobicContact CD2-CD1 4.03Å; L103-L107 HydrophobicContact CG-CD1 4.01Å; L103-L107 HydrophobicContact CG-CG 4.25Å; L103-L107 PolarHBondContact O-N 2.92Å; L107-T109 PolarHBondContact O-N 3.27Å; L107-T109 PolarHBondContact O-OG1 2.93Å
108P79Confident79Confident61 Ų6132.9 Ų32.940%0.39617%0.169SC..THydrogen-bonded Turntrans-75.379178.529.3-29.7000110.2F25 V28F25-P108 HydrophobicContact CB-CG 3.25Å; F25-P108 HydrophobicContact CD2-CG 3.93Å; F25-P108 HydrophobicContact CG-CG 3.78Å; V28-P108 PolarHBondContact N-O 2.73Å
109T78.5Confident77.5Confident8 Ų834 Ų345%0.04918%0.175CC..BIsolated β-bridgetrans-80151.1-178.7-42.70000109.3V28 F33 L107 E111 F113 L114V28-T109 WeakPolarHBondContact O-CA 3.28Å; F33-T109 HydrophobicContact CB-CG2 4.07Å; F33-T109 HydrophobicContact CD2-CG2 4.21Å; F33-T109 WeakPolarHBondContact CD2-OG1 3.13Å; F33-T109 HydrophobicContact CG-CG2 4.29Å; L107-T109 PolarHBondContact O-N 3.27Å; L107-T109 PolarHBondContact O-OG1 2.93Å; T109-E111 PolarHBondContact O-N 2.73Å; T109-F113 HydrophobicContact CG2-CD1 3.58Å; T109-F113 HydrophobicContact CG2-CE1 4.23Å; T109-F113 HydrophobicContact CG2-CG 4.46Å; T109-L114 WeakPolarHBondContact O-CD1 3.04Å
110E76.6Confident75.9Confident34 Ų3440.2 Ų40.216%0.15921%0.208CC..  trans-47.7126.6178.9-69.1177.3178.200111.9V28 T112 F113 L114 K168 Y172V28-E110 PolarHBondContact O-N 2.81Å; V28-E110 VanDerWaalsContact O-N 3.16Å; E110-T112 PolarHBondContact O-N 3.23Å; E110-T112 VanDerWaalsContact O-N 3.09Å; E110-F113 HydrophobicContact CB-CB 4.32Å; E110-F113 WeakPolarHBondContact O-CA 3.39Å; E110-F113 WeakPolarHBondContact O-CB 3.48Å; E110-F113 PolarHBondContact O-N 3.25Å; E110-L114 PolarHBondContact O-N 3.45Å; E110-K168 IonicContact OE1-NZ 3.24Å; E110-K168 IonicContact OE2-NZ 4Å; E110-K168 PolarHBondContact OE2-NZ 2.83Å; E110-Y172 PolarHBondContact OE2-OH 3.26Å
111E72.3Confident74.6Confident172 Ų17241.1 Ų41.180%0.80421%0.214SC*.Hα-helixtrans-53.7-34.9-179.2-77-173.4167.200112.4T109 F113 L114 A115T109-E111 PolarHBondContact O-N 2.73Å; E111-F113 VanDerWaalsContact C-N 3.33Å; E111-F113 PolarHBondContact O-N 3.1Å; E111-L114 PolarHBondContact O-N 2.96Å; E111-A115 WeakPolarHBondContact O-CB 3.48Å; E111-A115 PolarHBondContact O-N 3.45Å
112T73Confident73.2Confident47 Ų4744.2 Ų44.229%0.28824%0.235SC..Hα-helixtrans-67.7-31.4177.944.40000113.4E110 V162 L164 Y172E110-T112 PolarHBondContact O-N 3.23Å; E110-T112 VanDerWaalsContact O-N 3.09Å; T112-V162 HydrophobicContact CG2-CG1 4.2Å; T112-L164 HydrophobicContact CG2-CD2 4.27Å; T112-L164 HydrophobicContact CG2-CG 4.48Å; T112-Y172 PolarHBondContact OG1-OH 3.49Å
113F76.7Confident72Confident0 Ų044.4 Ų44.40%024%0.236CC..Hα-helixtrans-77.5-45.1173.3-177.8-109.3000110.3A30 F33 T109 E110 E111 A115 L116 F117 Y172 T175 L176 L179A30-F113 HydrophobicContact CB-CB 4.44Å; A30-F113 HydrophobicContact CB-CD1 4.3Å; A30-F113 HydrophobicContact CB-CD2 3.57Å; A30-F113 HydrophobicContact CB-CE1 4.41Å; A30-F113 HydrophobicContact CB-CE2 3.75Å; A30-F113 HydrophobicContact CB-CG 3.86Å; A30-F113 HydrophobicContact CB-CZ 4.15Å; F33-F113 HydrophobicContact CD1-CE1 4.25Å; T109-F113 HydrophobicContact CG2-CD1 3.58Å; T109-F113 HydrophobicContact CG2-CE1 4.23Å; T109-F113 HydrophobicContact CG2-CG 4.46Å; E110-F113 HydrophobicContact CB-CB 4.32Å; E110-F113 WeakPolarHBondContact O-CA 3.39Å; E110-F113 WeakPolarHBondContact O-CB 3.48Å; E110-F113 PolarHBondContact O-N 3.25Å; E111-F113 VanDerWaalsContact C-N 3.33Å; E111-F113 PolarHBondContact O-N 3.1Å; F113-A115 PolarHBondContact O-N 3.49Å; F113-L116 VanDerWaalsContact O-CB 3.32Å; F113-L116 WeakPolarHBondContact O-CB 3.47Å; F113-L116 PolarHBondContact O-N 3.34Å; F113-F117 HydrophobicContact CD1-CD2 4.46Å; F113-F117 AromaticContact CD1-CE2 3.81Å; F113-F117 HydrophobicContact CD1-CE2 3.81Å; F113-F117 HydrophobicContact CD2-CE2 4.38Å; F113-F117 HydrophobicContact CE1-CD2 4.35Å; F113-F117 AromaticContact CE1-CE2 3.36Å; F113-F117 HydrophobicContact CE1-CE2 3.36Å; F113-F117 AromaticContact CE1-CZ 3.97Å; F113-F117 HydrophobicContact CE1-CZ 3.97Å; F113-F117 AromaticContact CE2-CE2 3.97Å; F113-F117 HydrophobicContact CE2-CE2 3.97Å; F113-F117 HydrophobicContact CE2-CZ 4.44Å; F113-F117 HydrophobicContact CG-CE2 4.33Å; F113-F117 AromaticContact CZ-CE2 3.45Å; F113-F117 HydrophobicContact CZ-CE2 3.45Å; F113-F117 VanDerWaalsContact CZ-CE2 3.45Å; F113-F117 AromaticContact CZ-CZ 3.76Å; F113-F117 HydrophobicContact CZ-CZ 3.76Å; F113-F117 WeakPolarHBondContact O-CD2 3.32Å; F113-Y172 HydrophobicContact CB-CE1 4.03Å; F113-Y172 HydrophobicContact CB-CE2 4.3Å; F113-Y172 AromaticContact CD2-CD1 3.67Å; F113-Y172 HydrophobicContact CD2-CD1 3.67Å; F113-Y172 HydrophobicContact CD2-CD2 4.39Å; F113-Y172 AromaticContact CD2-CE1 3.9Å; F113-Y172 HydrophobicContact CD2-CE1 3.9Å; F113-Y172 AromaticContact CD2-CG 3.93Å; F113-Y172 HydrophobicContact CD2-CG 3.93Å; F113-Y172 HydrophobicContact CE2-CD1 4.34Å; F113-Y172 HydrophobicContact CG-CE1 4.38Å; F113-T175 HydrophobicContact CE2-CG2 4.37Å; F113-T175 HydrophobicContact CZ-CG2 4.29Å; F113-L176 HydrophobicContact CE2-CD2 3.98Å; F113-L176 HydrophobicContact CE2-CG 4.34Å; F113-L176 HydrophobicContact CZ-CD2 4.05Å; F113-L179 HydrophobicContact CZ-CD1 4.02Å
114L71.6Confident70.9Confident23 Ų2347 Ų4712%0.1226%0.255CS..Hα-helixtrans-57.9-36.6175.6-69.4179.6000112.4C104 T109 E110 E111 L116 F117 Q118C104-L114 HydrophobicContact CB-CD2 3.48Å; C104-L114 VanDerWaalsContact CB-CD2 3.48Å; T109-L114 WeakPolarHBondContact O-CD1 3.04Å; E110-L114 PolarHBondContact O-N 3.45Å; E111-L114 PolarHBondContact O-N 2.96Å; L114-L116 PolarHBondContact O-N 2.77Å; L114-L116 VanDerWaalsContact O-N 3.15Å; L114-F117 PolarHBondContact O-N 3.46Å; L114-Q118 WeakPolarHBondContact O-CB 3.03Å; L114-Q118 WeakPolarHBondContact O-CG 3.3Å; L114-Q118 PolarHBondContact O-N 2.96Å
115A69.5Low70.6Confident21 Ų2147.3 Ų47.317%0.17426%0.257CS..Hα-helixtrans-54.1-34.2175.100000111.4E111 F113 F117 Q118 I119 V162E111-A115 WeakPolarHBondContact O-CB 3.48Å; E111-A115 PolarHBondContact O-N 3.45Å; F113-A115 PolarHBondContact O-N 3.49Å; A115-F117 VanDerWaalsContact C-N 3.27Å; A115-F117 PolarHBondContact O-N 2.96Å; A115-Q118 PolarHBondContact O-N 2.83Å; A115-I119 WeakPolarHBondContact O-CB 3.37Å; A115-I119 VanDerWaalsContact O-CD1 3.28Å; A115-I119 WeakPolarHBondContact O-CD1 3.39Å; A115-I119 WeakPolarHBondContact O-CG1 3.36Å; A115-I119 PolarHBondContact O-N 2.88Å; A115-V162 HydrophobicContact CB-CG2 4.29Å
116L68.9Low70.6Confident11 Ų1143.2 Ų43.26%0.05824%0.237CC..Hα-helixtrans-65.1-30.5177.9-58.9179.8000113.2F113 L114 I119 L153 I157 Y172 L176F113-L116 VanDerWaalsContact O-CB 3.32Å; F113-L116 WeakPolarHBondContact O-CB 3.47Å; F113-L116 PolarHBondContact O-N 3.34Å; L114-L116 PolarHBondContact O-N 2.77Å; L114-L116 VanDerWaalsContact O-N 3.15Å; L116-I119 HydrophobicContact CD2-CD1 4.38Å; L116-L153 HydrophobicContact CD1-CD1 4.41Å; L116-L153 HydrophobicContact CD1-CD2 4.09Å; L116-L153 HydrophobicContact CD2-CD2 4.14Å; L116-I157 HydrophobicContact CD2-CD1 4.33Å; L116-I157 HydrophobicContact CD2-CG1 4.05Å; L116-Y172 HydrophobicContact CD1-CD2 3.68Å; L116-Y172 HydrophobicContact CD1-CG 4.11Å; L116-L176 HydrophobicContact CD1-CD1 4.24Å
117F65.7Low70.4Confident25 Ų2542.8 Ų42.811%0.1124%0.235CC..Hα-helixtrans-89.8-23.4176.8-60.7-87.2000113.2I100 N101 F113 L114 A115 L176 F180 L196I100-F117 HydrophobicContact CD1-CE1 4.5Å; N101-F117 WeakPolarHBondContact OD1-CD1 3.31Å; F113-F117 HydrophobicContact CD1-CD2 4.46Å; F113-F117 AromaticContact CD1-CE2 3.81Å; F113-F117 HydrophobicContact CD1-CE2 3.81Å; F113-F117 HydrophobicContact CD2-CE2 4.38Å; F113-F117 HydrophobicContact CE1-CD2 4.35Å; F113-F117 AromaticContact CE1-CE2 3.36Å; F113-F117 HydrophobicContact CE1-CE2 3.36Å; F113-F117 AromaticContact CE1-CZ 3.97Å; F113-F117 HydrophobicContact CE1-CZ 3.97Å; F113-F117 AromaticContact CE2-CE2 3.97Å; F113-F117 HydrophobicContact CE2-CE2 3.97Å; F113-F117 HydrophobicContact CE2-CZ 4.44Å; F113-F117 HydrophobicContact CG-CE2 4.33Å; F113-F117 AromaticContact CZ-CE2 3.45Å; F113-F117 HydrophobicContact CZ-CE2 3.45Å; F113-F117 VanDerWaalsContact CZ-CE2 3.45Å; F113-F117 AromaticContact CZ-CZ 3.76Å; F113-F117 HydrophobicContact CZ-CZ 3.76Å; F113-F117 WeakPolarHBondContact O-CD2 3.32Å; L114-F117 PolarHBondContact O-N 3.46Å; A115-F117 VanDerWaalsContact C-N 3.27Å; A115-F117 PolarHBondContact O-N 2.96Å; F117-L176 HydrophobicContact CE1-CD2 4.03Å; F117-L176 HydrophobicContact CE2-CD2 4.02Å; F117-L176 HydrophobicContact CZ-CD2 3.33Å; F117-F180 AromaticContact CE1-CE2 3.97Å; F117-F180 HydrophobicContact CE1-CE2 3.97Å; F117-F180 HydrophobicContact CE1-CZ 4.1Å; F117-F180 HydrophobicContact CZ-CE2 4.48Å; F117-L196 HydrophobicContact CD1-CD1 4.46Å; F117-L196 HydrophobicContact CE1-CD1 3.84Å; F117-L196 HydrophobicContact CZ-CD1 4.43Å
118Q62.8Low70.3Confident135 Ų13545.2 Ų45.263%0.63125%0.246SC*.Hα-helixtrans-99.9-6.4-178.2-66.6-178.518.100113.8L114 A115 D120L114-Q118 WeakPolarHBondContact O-CB 3.03Å; L114-Q118 WeakPolarHBondContact O-CG 3.3Å; L114-Q118 PolarHBondContact O-N 2.96Å; A115-Q118 PolarHBondContact O-N 2.83Å; Q118-D120 PolarHBondContact O-N 3.31Å
119I60.1Low70.5Confident23 Ų2342.4 Ų42.412%0.11823%0.228CC..SBendtrans-57.1115.7168.6-77.7156.2000105.3A115 L116 T121 L156A115-I119 WeakPolarHBondContact O-CB 3.37Å; A115-I119 VanDerWaalsContact O-CD1 3.28Å; A115-I119 WeakPolarHBondContact O-CD1 3.39Å; A115-I119 WeakPolarHBondContact O-CG1 3.36Å; A115-I119 PolarHBondContact O-N 2.88Å; L116-I119 HydrophobicContact CD2-CD1 4.38Å; I119-T121 HydrophobicContact CB-CG2 4.31Å; I119-T121 HydrophobicContact CG2-CG2 3.73Å; I119-T121 PolarHBondContact O-N 3.16Å; I119-L156 HydrophobicContact CD1-CB 4.02Å
120D55.5Low70.9Confident157 Ų15742.4 Ų42.484%0.8423%0.228SC*.  trans-56.778.8160.5-91.2-35.8000106Q118 P122Q118-D120 PolarHBondContact O-N 3.31Å; D120-P122 WeakPolarHBondContact O-CD 3.34Å
121T57.6Low71.3Confident22 Ų2245.8 Ų45.814%0.13524%0.239CC..  trans-62.8129.3179.545.50000103.9I119 L123 L156 L197I119-T121 HydrophobicContact CB-CG2 4.31Å; I119-T121 HydrophobicContact CG2-CG2 3.73Å; I119-T121 PolarHBondContact O-N 3.16Å; T121-L123 HydrophobicContact CG2-CD1 4.45Å; T121-L123 PolarHBondContact O-N 3.49Å; T121-L156 HydrophobicContact CG2-CD1 4.12Å; T121-L156 HydrophobicContact CG2-CD2 3.92Å; T121-L197 HydrophobicContact CG2-CD2 4.37Å
122P53.5Low71.9Confident81 Ų8138.6 Ų38.653%0.52621%0.207SC..SBendtrans-63.14.5-179.623.9-32.3000113D120 S124D120-P122 WeakPolarHBondContact O-CD 3.34Å; P122-S124 PolarHBondContact O-N 2.85Å; P122-S124 PolarHBondContact O-OG 3Å
123L62.3Low72.5Confident7 Ų736.8 Ų36.84%0.03720%0.195CC..  trans-64.760.8171.8-55179.1000111.3T121 S125 E128 F129 V132 L197T121-L123 HydrophobicContact CG2-CD1 4.45Å; T121-L123 PolarHBondContact O-N 3.49Å; L123-S125 PolarHBondContact O-N 3.06Å; L123-E128 HydrophobicContact CD2-CB 4.23Å; L123-E128 HydrophobicContact CD2-CG 3.93Å; L123-F129 HydrophobicContact CD1-CD2 4.29Å; L123-V132 HydrophobicContact CD2-CB 4.02Å; L123-V132 HydrophobicContact CD2-CG1 4.5Å; L123-V132 HydrophobicContact CD2-CG2 3.68Å; L123-L197 HydrophobicContact CD1-CB 4.05Å; L123-L197 HydrophobicContact CD1-CD1 3.64Å; L123-L197 HydrophobicContact CD1-CG 4.35Å
124S66.2Low73.1Confident56 Ų5642 Ų4239%0.39222%0.217SC..  trans-76.5-6.7178.560.40000113.2P122 Y203P122-S124 PolarHBondContact O-N 2.85Å; P122-S124 PolarHBondContact O-OG 3Å; S124-Y203 PolarHBondContact O-OH 2.92Å
125S77.1Confident73.8Confident13 Ų1346.4 Ų46.49%0.09124%0.237CC..SBendtrans-150.7157.3178.770.50000111.7L123 V127 E128 F129L123-S125 PolarHBondContact O-N 3.06Å; S125-V127 PolarHBondContact O-N 3.49Å; S125-V127 PolarHBondContact OG-N 2.95Å; S125-E128 PolarHBondContact O-N 2.77Å; S125-E128 VanDerWaalsContact O-N 3.16Å; S125-E128 PolarHBondContact OG-N 2.8Å; S125-F129 PolarHBondContact O-N 2.87Å
126S82.5Confident74.7Confident1 Ų146.1 Ų46.11%0.00723%0.232CC..Hα-helixtrans-60.8-25171.9-67.90000113.3F129 M130 D247S126-F129 PolarHBondContact O-N 3.09Å; S126-M130 WeakPolarHBondContact O-CB 3.35Å; S126-M130 VanDerWaalsContact O-CG 3.29Å; S126-M130 WeakPolarHBondContact O-CG 3.49Å; S126-M130 PolarHBondContact O-N 2.83Å; S126-D247 VanDerWaalsContact CB-OD1 3.25Å; S126-D247 WeakPolarHBondContact CB-OD1 3.44Å; S126-D247 VanDerWaalsContact OG-CG 3.24Å; S126-D247 PolarHBondContact OG-OD1 2.83Å; S126-D247 PolarHBondContact OG-OD2 3.2Å
127V84.4Confident75.8Confident0 Ų045.6 Ų45.60%023%0.23CC..Hα-helixtrans-66.8-47173.2-178.30000111.2S125 F129 M130 R131 Y228 T230 E239 E240S125-V127 PolarHBondContact O-N 3.49Å; S125-V127 PolarHBondContact OG-N 2.95Å; V127-F129 VanDerWaalsContact C-N 3.29Å; V127-F129 PolarHBondContact O-N 3.42Å; V127-M130 PolarHBondContact O-N 3.36Å; V127-R131 PolarHBondContact O-N 3.48Å; V127-Y228 HydrophobicContact CG2-CD1 3.84Å; V127-T230 HydrophobicContact CB-CG2 4.14Å; V127-T230 HydrophobicContact CG1-CG2 3.89Å; V127-T230 HydrophobicContact CG2-CG2 4.35Å; V127-E239 HydrophobicContact CG1-CB 4.46Å; V127-E240 HydrophobicContact CG1-CB 4.45Å; V127-E240 HydrophobicContact CG1-CG 3.89Å
128E81.6Confident76.8Confident52 Ų5248.9 Ų48.924%0.24325%0.252CS..Hα-helixtrans-65.7-38.3177.3-161.964.7-137.900110.7L123 S125 M130 R131 V132L123-E128 HydrophobicContact CD2-CB 4.23Å; L123-E128 HydrophobicContact CD2-CG 3.93Å; S125-E128 PolarHBondContact O-N 2.77Å; S125-E128 VanDerWaalsContact O-N 3.16Å; S125-E128 PolarHBondContact OG-N 2.8Å; E128-M130 PolarHBondContact O-N 2.72Å; E128-R131 PolarHBondContact O-N 2.96Å; E128-R131 IonicContact OE1-NH1 3.08Å; E128-R131 PolarHBondContact OE1-NH1 3.3Å; E128-R131 VanDerWaalsContact OE1-NH1 3.08Å; E128-R131 IonicContact OE2-CZ 3.47Å; E128-R131 IonicContact OE2-NH1 2.68Å; E128-R131 PolarHBondContact OE2-NH1 3.33Å; E128-V132 WeakPolarHBondContact O-CG2 3.44Å; E128-V132 PolarHBondContact O-N 2.82Å
129F84.1Confident78Confident2 Ų247 Ų471%0.00925%0.246CC..Hα-helixtrans-57.4-49.3172.4177-91.2000111.4L123 S125 S126 V127 R131 V132 W133 L190 M193 A194 L197 V199 K246L123-F129 HydrophobicContact CD1-CD2 4.29Å; S125-F129 PolarHBondContact O-N 2.87Å; S126-F129 PolarHBondContact O-N 3.09Å; V127-F129 VanDerWaalsContact C-N 3.29Å; V127-F129 PolarHBondContact O-N 3.42Å; F129-R131 VanDerWaalsContact C-N 3.29Å; F129-R131 PolarHBondContact O-N 3.15Å; F129-V132 PolarHBondContact O-N 3.28Å; F129-W133 HydrophobicContact CE1-CB 4.49Å; F129-W133 HydrophobicContact CE1-CE3 4.35Å; F129-W133 HydrophobicContact CZ-CE3 4.07Å; F129-W133 VanDerWaalsContact O-CB 3.24Å; F129-W133 WeakPolarHBondContact O-CB 3.32Å; F129-W133 PolarHBondContact O-N 3.47Å; F129-L190 HydrophobicContact CE1-CD2 3.69Å; F129-L190 HydrophobicContact CE1-CG 4.02Å; F129-L190 HydrophobicContact CZ-CD2 4.48Å; F129-M193 HydrophobicContact CE2-CB 4.49Å; F129-M193 HydrophobicContact CE2-CG 4.05Å; F129-M193 HydrophobicContact CZ-CB 4.15Å; F129-M193 HydrophobicContact CZ-CG 4.06Å; F129-A194 HydrophobicContact CE1-CB 4.34Å; F129-A194 HydrophobicContact CE2-CB 4.11Å; F129-A194 HydrophobicContact CZ-CB 3.82Å; F129-L197 HydrophobicContact CD2-CD1 4.32Å; F129-L197 HydrophobicContact CE2-CD1 4.03Å; F129-V199 HydrophobicContact CB-CG1 4.13Å; F129-V199 HydrophobicContact CB-CG2 4.09Å; F129-V199 HydrophobicContact CD2-CG2 3.26Å; F129-V199 HydrophobicContact CE2-CG2 3.81Å; F129-V199 HydrophobicContact CG-CG2 3.79Å; F129-K246 HydrophobicContact CD1-CD 4.11Å; F129-K246 HydrophobicContact CE1-CD 4.37Å
130M86.8Confident79.3Confident8 Ų850.9 Ų50.94%0.03927%0.267CS..Hα-helixtrans-63.8-33.9178.8-73.2-49.1-55.700112.9S126 V127 E128 K134 L190 E239 M242 K246S126-M130 WeakPolarHBondContact O-CB 3.35Å; S126-M130 VanDerWaalsContact O-CG 3.29Å; S126-M130 WeakPolarHBondContact O-CG 3.49Å; S126-M130 PolarHBondContact O-N 2.83Å; V127-M130 PolarHBondContact O-N 3.36Å; E128-M130 PolarHBondContact O-N 2.72Å; M130-K134 WeakPolarHBondContact O-CB 3.48Å; M130-K134 PolarHBondContact O-N 3.09Å; M130-K134 VanDerWaalsContact O-N 3.09Å; M130-L190 HydrophobicContact CE-CD1 3.82Å; M130-L190 HydrophobicContact SD-CD1 3.83Å; M130-L190 HydrophobicContact SD-CD2 4.16Å; M130-L190 HydrophobicContact SD-CG 4.35Å; M130-E239 HydrophobicContact CB-CB 4.28Å; M130-M242 HydrophobicContact CB-CB 4.4Å; M130-M242 HydrophobicContact CE-CB 3.97Å; M130-M242 HydrophobicContact CE-CE 3.95Å; M130-M242 HydrophobicContact CG-CB 3.93Å; M130-K246 HydrophobicContact SD-CD 4.34Å
131R85.8Confident80.9Confident105 Ų10545.9 Ų45.940%0.39624%0.244SC..Hα-helixtrans-65.4-47175.2-171.1-175.1-65.4143.22.5111.6V127 E128 F129 Q135 E239V127-R131 PolarHBondContact O-N 3.48Å; E128-R131 PolarHBondContact O-N 2.96Å; E128-R131 IonicContact OE1-NH1 3.08Å; E128-R131 PolarHBondContact OE1-NH1 3.3Å; E128-R131 VanDerWaalsContact OE1-NH1 3.08Å; E128-R131 IonicContact OE2-CZ 3.47Å; E128-R131 IonicContact OE2-NH1 2.68Å; E128-R131 PolarHBondContact OE2-NH1 3.33Å; F129-R131 VanDerWaalsContact C-N 3.29Å; F129-R131 PolarHBondContact O-N 3.15Å; R131-Q135 PolarHBondContact O-N 3.17Å; R131-E239 HydrophobicContact CB-CG 4.28Å
132V83.6Confident82.4Confident22 Ų2245.4 Ų45.413%0.13324%0.244CC..Hα-helixtrans-66.8-45.2178.1170.20000110.6L123 E128 F129 K134 Q135 F136 F152L123-V132 HydrophobicContact CD2-CB 4.02Å; L123-V132 HydrophobicContact CD2-CG1 4.5Å; L123-V132 HydrophobicContact CD2-CG2 3.68Å; E128-V132 WeakPolarHBondContact O-CG2 3.44Å; E128-V132 PolarHBondContact O-N 2.82Å; F129-V132 PolarHBondContact O-N 3.28Å; V132-K134 VanDerWaalsContact C-N 3.35Å; V132-K134 PolarHBondContact O-N 2.9Å; V132-Q135 WeakPolarHBondContact O-CB 3.32Å; V132-Q135 PolarHBondContact O-N 2.86Å; V132-F136 HydrophobicContact CG1-CD2 3.87Å; V132-F136 HydrophobicContact CG1-CE2 3.9Å; V132-F136 VanDerWaalsContact O-CD2 3.22Å; V132-F136 WeakPolarHBondContact O-CD2 3.48Å; V132-F136 PolarHBondContact O-N 2.9Å; V132-F152 HydrophobicContact CG1-CD2 3.94Å; V132-F152 HydrophobicContact CG1-CE2 3.56Å
133W87Confident84.2Confident8 Ų842.2 Ų42.23%0.0322%0.223CC..Hα-helixtrans-49.1-55174.4176.2-88.4000111.6F129 Q135 F136 D137 I144 L188 Q189 L190 M193 E258F129-W133 HydrophobicContact CE1-CB 4.49Å; F129-W133 HydrophobicContact CE1-CE3 4.35Å; F129-W133 HydrophobicContact CZ-CE3 4.07Å; F129-W133 VanDerWaalsContact O-CB 3.24Å; F129-W133 WeakPolarHBondContact O-CB 3.32Å; F129-W133 PolarHBondContact O-N 3.47Å; W133-Q135 PolarHBondContact O-N 3.42Å; W133-F136 PolarHBondContact O-N 3.33Å; W133-D137 PolarHBondContact O-N 2.91Å; W133-I144 HydrophobicContact CE3-CG1 3.98Å; W133-I144 HydrophobicContact CH2-CG1 3.8Å; W133-I144 HydrophobicContact CZ2-CG1 4.37Å; W133-I144 HydrophobicContact CZ3-CB 4.49Å; W133-I144 HydrophobicContact CZ3-CG1 3.56Å; W133-L188 WeakPolarHBondContact CH2-O 3.09Å; W133-Q189 VanDerWaalsContact CH2-C 3.48Å; W133-L190 HydrophobicContact CD2-CD1 4.48Å; W133-L190 HydrophobicContact CD2-CG 4.25Å; W133-L190 HydrophobicContact CE3-CG 4.46Å; W133-L190 VanDerWaalsContact CH2-CA 3.49Å; W133-L190 HydrophobicContact CH2-CB 4.08Å; W133-L190 HydrophobicContact CZ2-CB 4.03Å; W133-L190 HydrophobicContact CZ2-CD1 4.46Å; W133-L190 HydrophobicContact CZ2-CG 4.3Å; W133-L190 HydrophobicContact CZ3-CB 4.48Å; W133-M193 HydrophobicContact CE3-CB 4.02Å; W133-M193 HydrophobicContact CE3-CG 3.86Å; W133-M193 HydrophobicContact CH2-CB 4.46Å; W133-M193 HydrophobicContact CZ3-CB 3.42Å; W133-M193 VanDerWaalsContact CZ3-CB 3.42Å; W133-M193 HydrophobicContact CZ3-CG 3.68Å; W133-E258 PolarHBondContact NE1-OE2 3.04Å
134K87.9Confident85.7Confident110 Ų11041.9 Ų41.948%0.47822%0.221SC..Hα-helixtrans-63.7-24.8-179.8-174.1178.2174.3-178.50114M130 V132 F136 E239M130-K134 WeakPolarHBondContact O-CB 3.48Å; M130-K134 PolarHBondContact O-N 3.09Å; M130-K134 VanDerWaalsContact O-N 3.09Å; V132-K134 VanDerWaalsContact C-N 3.35Å; V132-K134 PolarHBondContact O-N 2.9Å; K134-F136 VanDerWaalsContact C-N 3.34Å; K134-E239 WeakPolarHBondContact CD-OE1 3.49Å; K134-E239 WeakPolarHBondContact CE-OE1 3.47Å; K134-E239 IonicContact NZ-OE1 3.38Å; K134-E239 PolarHBondContact NZ-OE1 3.43Å
135Q87.7Confident86.9Confident115 Ų11541.5 Ų41.554%0.53722%0.215SC..Hα-helixtrans-72.7-31.5175.9-177.6179.6-14.700111.8R131 V132 W133R131-Q135 PolarHBondContact O-N 3.17Å; V132-Q135 WeakPolarHBondContact O-CB 3.32Å; V132-Q135 PolarHBondContact O-N 2.86Å; W133-Q135 PolarHBondContact O-N 3.42Å
136F88.3Confident87.6Confident15 Ų1543 Ų437%0.06623%0.225CC..Hα-helixtrans-101.4-26.5-175.1-70.3-75.4000114V132 W133 K134 T138 I144 E148 Q151 F152 H155V132-F136 HydrophobicContact CG1-CD2 3.87Å; V132-F136 HydrophobicContact CG1-CE2 3.9Å; V132-F136 VanDerWaalsContact O-CD2 3.22Å; V132-F136 WeakPolarHBondContact O-CD2 3.48Å; V132-F136 PolarHBondContact O-N 2.9Å; W133-F136 PolarHBondContact O-N 3.33Å; K134-F136 VanDerWaalsContact C-N 3.34Å; F136-T138 PolarHBondContact O-N 3.44Å; F136-I144 HydrophobicContact CB-CD1 3.97Å; F136-E148 WeakPolarHBondContact O-CB 3.37Å; F136-E148 VanDerWaalsContact O-CD 3.24Å; F136-E148 WeakPolarHBondContact O-CG 3.44Å; F136-E148 VanDerWaalsContact O-OE1 3.12Å; F136-Q151 HydrophobicContact CD1-CB 4.12Å; F136-Q151 HydrophobicContact CE1-CB 4.16Å; F136-F152 HydrophobicContact CB-CB 4.49Å; F136-F152 HydrophobicContact CD1-CB 3.82Å; F136-F152 HydrophobicContact CD2-CB 4.14Å; F136-F152 AromaticContact CD2-CD2 3.6Å; F136-F152 HydrophobicContact CD2-CD2 3.6Å; F136-F152 HydrophobicContact CD2-CG 4.35Å; F136-F152 VanDerWaalsContact CE1-CA 3.42Å; F136-F152 HydrophobicContact CE1-CB 4.05Å; F136-F152 HydrophobicContact CE2-CB 4.38Å; F136-F152 AromaticContact CE2-CD2 3.62Å; F136-F152 HydrophobicContact CE2-CD2 3.62Å; F136-F152 HydrophobicContact CE2-CE2 4.46Å; F136-F152 HydrophobicContact CE2-CG 4.49Å; F136-F152 HydrophobicContact CG-CB 3.88Å; F136-F152 HydrophobicContact CG-CD2 4.19Å; F136-F152 HydrophobicContact CZ-CB 4.33Å; F136-F152 HydrophobicContact CZ-CD2 4.19Å; F136-H155 HydrophobicContact CE1-CB 4.29Å; F136-H155 HydrophobicContact CZ-CB 3.66Å; F136-H155 AromaticContact CZ-CG 3.9Å
137D90.5Very high88Confident1 Ų147.6 Ų47.61%0.00525%0.25CC..  trans-75.376.9165.3-179.311000108.7W133 D139 L140 S141 G142 I144W133-D137 PolarHBondContact O-N 2.91Å; D137-D139 VanDerWaalsContact OD1-OD1 3.1Å; D137-L140 PolarHBondContact O-N 2.95Å; D137-L140 VanDerWaalsContact OD1-CA 3.27Å; D137-L140 WeakPolarHBondContact OD1-CA 3.24Å; D137-L140 PolarHBondContact OD1-N 3.48Å; D137-L140 WeakPolarHBondContact OD2-CA 3.33Å; D137-S141 PolarHBondContact OD1-N 3.41Å; D137-S141 PolarHBondContact OD1-OG 3.16Å; D137-S141 PolarHBondContact OD2-N 3.41Å; D137-G142 WeakPolarHBondContact OD2-CA 3.49Å; D137-G142 PolarHBondContact OD2-N 2.66Å; D137-I144 HydrophobicContact CB-CD1 3.83Å; D137-I144 VanDerWaalsContact N-CD1 3.32Å
138T86.5Confident88.4Confident93 Ų9347.8 Ų47.857%0.57125%0.251SS*.  trans-76.3-28.1-169.254.20000112.5F136 E148F136-T138 PolarHBondContact O-N 3.44Å; T138-E148 PolarHBondContact N-OE1 3.4Å; T138-E148 PolarHBondContact OG1-OE1 3.46Å
139D89.7Confident88.8Confident97 Ų9745.3 Ų45.352%0.51924%0.239SC..SBendtrans-91.3-2177.275.2-6.9000113.1D137 S141D137-D139 VanDerWaalsContact OD1-OD1 3.1Å; D139-S141 PolarHBondContact O-N 3.13Å; D139-S141 WeakPolarHBondContact OD1-CB 3.32Å; D139-S141 PolarHBondContact OD1-N 3.41Å; D139-S141 PolarHBondContact OD1-OG 2.96Å
140L86.2Confident89.1Confident104 Ų10447.2 Ų47.255%0.54525%0.247SC..  trans57.832.8-178.4-56.7172.4000111.9D137 G142D137-L140 PolarHBondContact O-N 2.95Å; D137-L140 VanDerWaalsContact OD1-CA 3.27Å; D137-L140 WeakPolarHBondContact OD1-CA 3.24Å; D137-L140 PolarHBondContact OD1-N 3.48Å; D137-L140 WeakPolarHBondContact OD2-CA 3.33Å; L140-G142 PolarHBondContact O-N 3.3Å
141S90.6Very high89.2Confident51 Ų5151.2 Ų51.236%0.35727%0.266SS..  trans-71.2-15.217964.10000112.6D137 D139 S143D137-S141 PolarHBondContact OD1-N 3.41Å; D137-S141 PolarHBondContact OD1-OG 3.16Å; D137-S141 PolarHBondContact OD2-N 3.41Å; D139-S141 PolarHBondContact O-N 3.13Å; D139-S141 WeakPolarHBondContact OD1-CB 3.32Å; D139-S141 PolarHBondContact OD1-N 3.41Å; D139-S141 PolarHBondContact OD1-OG 2.96Å; S141-S143 VanDerWaalsContact C-N 3.29Å; S141-S143 PolarHBondContact OG-O 2.87Å; S141-S143 PolarHBondContact OG-OG 3.06Å; S141-S143 VanDerWaalsContact OG-OG 3.06Å
142G87.6Confident89.2Confident13 Ų1346.3 Ų46.313%0.13425%0.248CC..SBendtrans79.514.7-17500000113.6D137 L140 E258D137-G142 WeakPolarHBondContact OD2-CA 3.49Å; D137-G142 PolarHBondContact OD2-N 2.66Å; L140-G142 PolarHBondContact O-N 3.3Å; G142-E258 WeakPolarHBondContact CA-OE2 3.4Å
143S92.7Very high89.2Confident14 Ų1445.4 Ų45.410%0.09824%0.242CC..SBendtrans-151.1147.3-178.159.20000109.5S141 K187 L188S141-S143 VanDerWaalsContact C-N 3.29Å; S141-S143 PolarHBondContact OG-O 2.87Å; S141-S143 PolarHBondContact OG-OG 3.06Å; S141-S143 VanDerWaalsContact OG-OG 3.06Å; S143-K187 WeakPolarHBondContact OG-CD 3.15Å; S143-L188 CarbonylContact C-O 3.52Å; S143-L188 WeakPolarHBondContact CA-O 3.41Å
144I92Very high89.1Confident0 Ų049.9 Ų49.90%026%0.262CS..BIsolated β-bridgetrans-99.4117.3176.8-65.3-66.4000109W133 F136 D137 E148 L149 K187 L188W133-I144 HydrophobicContact CE3-CG1 3.98Å; W133-I144 HydrophobicContact CH2-CG1 3.8Å; W133-I144 HydrophobicContact CZ2-CG1 4.37Å; W133-I144 HydrophobicContact CZ3-CB 4.49Å; W133-I144 HydrophobicContact CZ3-CG1 3.56Å; F136-I144 HydrophobicContact CB-CD1 3.97Å; D137-I144 HydrophobicContact CB-CD1 3.83Å; D137-I144 VanDerWaalsContact N-CD1 3.32Å; I144-E148 HydrophobicContact CD1-CB 4.28Å; I144-E148 HydrophobicContact CG2-CB 3.85Å; I144-L149 HydrophobicContact CG2-CB 3.81Å; I144-K187 WeakPolarHBondContact O-CA 3.29Å; I144-L188 HydrophobicContact CB-CB 4.44Å; I144-L188 PolarHBondContact N-O 3.32Å; I144-L188 PolarHBondContact O-N 3.46Å
145D92.8Very high88.8Confident48 Ų4848.5 Ų48.526%0.25726%0.257SS..  trans-81.6178.1174.480.323.5000113.1N147 E148 L149 K187D145-N147 VanDerWaalsContact C-N 3.29Å; D145-N147 PolarHBondContact O-N 3.37Å; D145-N147 WeakPolarHBondContact OD1-CA 3.48Å; D145-N147 WeakPolarHBondContact OD1-CB 3.42Å; D145-N147 PolarHBondContact OD1-N 3.26Å; D145-E148 PolarHBondContact N-OE2 2.92Å; D145-E148 VanDerWaalsContact N-OE2 3.16Å; D145-E148 PolarHBondContact O-N 2.95Å; D145-E148 PolarHBondContact OD1-N 2.78Å; D145-L149 VanDerWaalsContact O-CB 3.31Å; D145-L149 WeakPolarHBondContact O-CB 3.48Å; D145-L149 PolarHBondContact O-N 3.3Å; D145-K187 HydrophobicContact CB-CD 4.37Å; D145-K187 HydrophobicContact CB-CG 4.24Å
146S90.3Very high88.3Confident44 Ų4443.3 Ų43.331%0.30823%0.233SC..Hα-helixtrans-59-36.1180-175.30000114K150S146-K150 WeakPolarHBondContact O-CB 3.29Å; S146-K150 PolarHBondContact O-N 3.15Å
147N91.2Very high87.7Confident98 Ų9843.3 Ų43.352%0.52423%0.233SC..Hα-helixtrans-78.1-36.1-178.6-173.764.2000111.6D145 K150 Q151D145-N147 VanDerWaalsContact C-N 3.29Å; D145-N147 PolarHBondContact O-N 3.37Å; D145-N147 WeakPolarHBondContact OD1-CA 3.48Å; D145-N147 WeakPolarHBondContact OD1-CB 3.42Å; D145-N147 PolarHBondContact OD1-N 3.26Å; N147-K150 WeakPolarHBondContact O-CB 3.42Å; N147-K150 PolarHBondContact O-N 3.42Å; N147-Q151 WeakPolarHBondContact O-CG 3.46Å; N147-Q151 PolarHBondContact O-N 3.5Å; N147-Q151 VanDerWaalsContact O-N 3.14Å
148E92.8Very high87Confident4 Ų448.5 Ų48.52%0.01927%0.265CS..Hα-helixtrans-68.2-43.6172.4-68.7177.9140.700111.3F136 T138 I144 D145 K150 Q151 F152F136-E148 WeakPolarHBondContact O-CB 3.37Å; F136-E148 VanDerWaalsContact O-CD 3.24Å; F136-E148 WeakPolarHBondContact O-CG 3.44Å; F136-E148 VanDerWaalsContact O-OE1 3.12Å; T138-E148 PolarHBondContact N-OE1 3.4Å; T138-E148 PolarHBondContact OG1-OE1 3.46Å; I144-E148 HydrophobicContact CD1-CB 4.28Å; I144-E148 HydrophobicContact CG2-CB 3.85Å; D145-E148 PolarHBondContact N-OE2 2.92Å; D145-E148 VanDerWaalsContact N-OE2 3.16Å; D145-E148 PolarHBondContact O-N 2.95Å; D145-E148 PolarHBondContact OD1-N 2.78Å; E148-K150 VanDerWaalsContact C-N 3.29Å; E148-K150 PolarHBondContact O-N 3.24Å; E148-Q151 WeakPolarHBondContact O-CB 3.31Å; E148-Q151 PolarHBondContact O-N 2.98Å; E148-Q151 VanDerWaalsContact O-N 3.1Å; E148-F152 PolarHBondContact O-N 2.95Å
149L90.6Very high86.3Confident0 Ų048.1 Ų48.10%026%0.258CS..Hα-helixtrans-60-42173.8-175.160.3000110.9I144 D145 Q151 F152 L153 A173 L176 I177 L188 M193 L196I144-L149 HydrophobicContact CG2-CB 3.81Å; D145-L149 VanDerWaalsContact O-CB 3.31Å; D145-L149 WeakPolarHBondContact O-CB 3.48Å; D145-L149 PolarHBondContact O-N 3.3Å; L149-Q151 VanDerWaalsContact C-N 3.32Å; L149-Q151 PolarHBondContact O-N 3.23Å; L149-F152 HydrophobicContact CD1-CD1 4.03Å; L149-F152 WeakPolarHBondContact O-CB 3.12Å; L149-F152 PolarHBondContact O-N 3.41Å; L149-L153 HydrophobicContact CD1-CG 4.35Å; L149-L153 HydrophobicContact CG-CD1 4.26Å; L149-L153 HydrophobicContact CG-CG 4.3Å; L149-L153 VanDerWaalsContact O-CG 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.23Å; L149-L153 PolarHBondContact O-N 2.87Å; L149-A173 HydrophobicContact CD2-CB 4.33Å; L149-A173 HydrophobicContact CG-CB 4.38Å; L149-L176 HydrophobicContact CD2-CB 4.02Å; L149-I177 HydrophobicContact CD2-CD1 4.25Å; L149-I177 HydrophobicContact CD2-CG1 3.69Å; L149-L188 HydrophobicContact CD1-CD1 4.24Å; L149-L188 HydrophobicContact CD2-CD1 3.9Å; L149-M193 HydrophobicContact CD1-CE 3.99Å; L149-M193 HydrophobicContact CD1-SD 4.13Å; L149-L196 HydrophobicContact CD1-CD2 4.19Å
150K90.1Very high85.2Confident41 Ų4145.4 Ų45.418%0.17825%0.247CC..Hα-helixtrans-57.1-45.3174.5-175.2-166-177.6160.50111.8S146 N147 E148 F152 L153 K154 L169 N170 A173S146-K150 WeakPolarHBondContact O-CB 3.29Å; S146-K150 PolarHBondContact O-N 3.15Å; N147-K150 WeakPolarHBondContact O-CB 3.42Å; N147-K150 PolarHBondContact O-N 3.42Å; E148-K150 VanDerWaalsContact C-N 3.29Å; E148-K150 PolarHBondContact O-N 3.24Å; K150-F152 VanDerWaalsContact C-N 3.31Å; K150-L153 PolarHBondContact O-N 3.32Å; K150-K154 WeakPolarHBondContact O-CB 3.23Å; K150-K154 PolarHBondContact O-N 2.95Å; K150-L169 HydrophobicContact CD-CD2 4.47Å; K150-L169 HydrophobicContact CG-CD2 3.65Å; K150-L169 HydrophobicContact CG-CG 3.84Å; K150-N170 WeakPolarHBondContact CD-OD1 3.45Å; K150-N170 WeakPolarHBondContact CE-OD1 3.49Å; K150-N170 PolarHBondContact NZ-OD1 3.28Å; K150-A173 HydrophobicContact CB-CB 4.34Å
151Q88.9Confident84.6Confident93 Ų9349.4 Ų49.444%0.43526%0.26SS..Hα-helixtrans-63.8-40.1178-72.4-177.672.100111.7F136 N147 E148 L149 K154 H155F136-Q151 HydrophobicContact CD1-CB 4.12Å; F136-Q151 HydrophobicContact CE1-CB 4.16Å; N147-Q151 WeakPolarHBondContact O-CG 3.46Å; N147-Q151 PolarHBondContact O-N 3.5Å; N147-Q151 VanDerWaalsContact O-N 3.14Å; E148-Q151 WeakPolarHBondContact O-CB 3.31Å; E148-Q151 PolarHBondContact O-N 2.98Å; E148-Q151 VanDerWaalsContact O-N 3.1Å; L149-Q151 VanDerWaalsContact C-N 3.32Å; L149-Q151 PolarHBondContact O-N 3.23Å; Q151-K154 WeakPolarHBondContact O-CB 3.47Å; Q151-K154 PolarHBondContact O-N 3.01Å; Q151-H155 PolarHBondContact O-N 3.34Å
152F86.3Confident83.6Confident2 Ų248.9 Ų48.91%0.00925%0.254CS..Hα-helixtrans-61.4-50.4174.3171-96.6000112.1V132 F136 E148 L149 K150 K154 H155 L156 M193 L197V132-F152 HydrophobicContact CG1-CD2 3.94Å; V132-F152 HydrophobicContact CG1-CE2 3.56Å; F136-F152 HydrophobicContact CB-CB 4.49Å; F136-F152 HydrophobicContact CD1-CB 3.82Å; F136-F152 HydrophobicContact CD2-CB 4.14Å; F136-F152 AromaticContact CD2-CD2 3.6Å; F136-F152 HydrophobicContact CD2-CD2 3.6Å; F136-F152 HydrophobicContact CD2-CG 4.35Å; F136-F152 VanDerWaalsContact CE1-CA 3.42Å; F136-F152 HydrophobicContact CE1-CB 4.05Å; F136-F152 HydrophobicContact CE2-CB 4.38Å; F136-F152 AromaticContact CE2-CD2 3.62Å; F136-F152 HydrophobicContact CE2-CD2 3.62Å; F136-F152 HydrophobicContact CE2-CE2 4.46Å; F136-F152 HydrophobicContact CE2-CG 4.49Å; F136-F152 HydrophobicContact CG-CB 3.88Å; F136-F152 HydrophobicContact CG-CD2 4.19Å; F136-F152 HydrophobicContact CZ-CB 4.33Å; F136-F152 HydrophobicContact CZ-CD2 4.19Å; E148-F152 PolarHBondContact O-N 2.95Å; L149-F152 HydrophobicContact CD1-CD1 4.03Å; L149-F152 WeakPolarHBondContact O-CB 3.12Å; L149-F152 PolarHBondContact O-N 3.41Å; K150-F152 VanDerWaalsContact C-N 3.31Å; F152-K154 VanDerWaalsContact C-N 3.28Å; F152-K154 PolarHBondContact O-N 2.97Å; F152-H155 WeakPolarHBondContact O-CA 3.35Å; F152-H155 VanDerWaalsContact O-CB 3.31Å; F152-H155 WeakPolarHBondContact O-CB 3.42Å; F152-H155 PolarHBondContact O-N 3.08Å; F152-L156 HydrophobicContact CD1-CD1 4.2Å; F152-L156 HydrophobicContact CD1-CG 4.45Å; F152-L156 HydrophobicContact CE1-CD1 3.32Å; F152-L156 HydrophobicContact CE1-CG 3.86Å; F152-L156 HydrophobicContact CE2-CD1 4.37Å; F152-L156 HydrophobicContact CE2-CD2 4.26Å; F152-L156 HydrophobicContact CE2-CG 4.19Å; F152-L156 HydrophobicContact CZ-CD1 3.44Å; F152-L156 VanDerWaalsContact CZ-CD1 3.44Å; F152-L156 HydrophobicContact CZ-CD2 3.99Å; F152-L156 HydrophobicContact CZ-CG 3.72Å; F152-L156 PolarHBondContact O-N 3.5Å; F152-M193 HydrophobicContact CD1-CE 3.67Å; F152-M193 HydrophobicContact CD2-CE 4.16Å; F152-M193 HydrophobicContact CE1-CE 3.84Å; F152-M193 HydrophobicContact CE2-CE 4.32Å; F152-M193 HydrophobicContact CG-CE 3.83Å; F152-M193 HydrophobicContact CZ-CE 4.16Å; F152-L197 HydrophobicContact CE1-CD1 4Å; F152-L197 HydrophobicContact CE1-CD2 3.63Å; F152-L197 HydrophobicContact CE1-CG 4.4Å; F152-L197 HydrophobicContact CE2-CD1 4.16Å; F152-L197 HydrophobicContact CZ-CD1 3.43Å; F152-L197 VanDerWaalsContact CZ-CD1 3.43Å; F152-L197 HydrophobicContact CZ-CD2 3.56Å; F152-L197 HydrophobicContact CZ-CG 4.16Å
153L84Confident83Confident2 Ų257.3 Ų57.31%0.0129%0.29CS..Hα-helixtrans-60.6-39.8177.2-65.8177.8000111.3L116 L149 K150 H155 L156 I157 L169 A173 L176L116-L153 HydrophobicContact CD1-CD1 4.41Å; L116-L153 HydrophobicContact CD1-CD2 4.09Å; L116-L153 HydrophobicContact CD2-CD2 4.14Å; L149-L153 HydrophobicContact CD1-CG 4.35Å; L149-L153 HydrophobicContact CG-CD1 4.26Å; L149-L153 HydrophobicContact CG-CG 4.3Å; L149-L153 VanDerWaalsContact O-CG 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.23Å; L149-L153 PolarHBondContact O-N 2.87Å; K150-L153 PolarHBondContact O-N 3.32Å; L153-H155 VanDerWaalsContact C-N 3.28Å; L153-H155 PolarHBondContact O-N 3.25Å; L153-L156 PolarHBondContact O-N 3.18Å; L153-I157 WeakPolarHBondContact O-CB 3.26Å; L153-I157 WeakPolarHBondContact O-CD1 3.49Å; L153-I157 WeakPolarHBondContact O-CG1 3.35Å; L153-I157 PolarHBondContact O-N 2.91Å; L153-L169 HydrophobicContact CB-CD1 3.54Å; L153-L169 HydrophobicContact CD1-CD1 4.32Å; L153-A173 HydrophobicContact CD1-CB 4Å; L153-L176 HydrophobicContact CD1-CD1 3.95Å; L153-L176 HydrophobicContact CD2-CD1 3.86Å; L153-L176 HydrophobicContact CG-CD1 4.49Å
154K84.8Confident82.3Confident102 Ų10258.5 Ų58.544%0.44330%0.295SS..Hα-helixtrans-58-43.6174.1-165.1165.3-173.3149.60111.3K150 Q151 F152 I157 V158 D166 L169K150-K154 WeakPolarHBondContact O-CB 3.23Å; K150-K154 PolarHBondContact O-N 2.95Å; Q151-K154 WeakPolarHBondContact O-CB 3.47Å; Q151-K154 PolarHBondContact O-N 3.01Å; F152-K154 VanDerWaalsContact C-N 3.28Å; F152-K154 PolarHBondContact O-N 2.97Å; K154-I157 PolarHBondContact O-N 3.42Å; K154-V158 WeakPolarHBondContact O-CG2 3.5Å; K154-V158 PolarHBondContact O-N 2.96Å; K154-V158 VanDerWaalsContact O-N 3.12Å; K154-D166 IonicContact NZ-OD1 3.23Å; K154-D166 PolarHBondContact NZ-OD1 3.16Å; K154-D166 IonicContact NZ-OD2 2.95Å; K154-L169 HydrophobicContact CB-CD2 3.9Å; K154-L169 HydrophobicContact CD-CD2 4.39Å; K154-L169 HydrophobicContact CG-CD2 4.3Å
155H81.7Confident82Confident81 Ų8161.1 Ų61.138%0.37531%0.313SS..Hα-helixtrans-61.8-45.2176.5-174.877.5000112F136 Q151 F152 L153 I157 V158 I159F136-H155 HydrophobicContact CE1-CB 4.29Å; F136-H155 HydrophobicContact CZ-CB 3.66Å; F136-H155 AromaticContact CZ-CG 3.9Å; Q151-H155 PolarHBondContact O-N 3.34Å; F152-H155 WeakPolarHBondContact O-CA 3.35Å; F152-H155 VanDerWaalsContact O-CB 3.31Å; F152-H155 WeakPolarHBondContact O-CB 3.42Å; F152-H155 PolarHBondContact O-N 3.08Å; L153-H155 VanDerWaalsContact C-N 3.28Å; L153-H155 PolarHBondContact O-N 3.25Å; H155-I157 PolarHBondContact O-N 3.14Å; H155-V158 PolarHBondContact O-N 3.24Å; H155-I159 WeakPolarHBondContact O-CG1 3.25Å; H155-I159 PolarHBondContact O-N 3.45Å
156L76.3Confident81.7Confident6 Ų662.5 Ų62.53%0.03132%0.321CS..Hα-helixtrans-61.2-42.3176.3-70.3-169.5000112.9I119 T121 F152 L153 V158 I159 S160 L197I119-L156 HydrophobicContact CD1-CB 4.02Å; T121-L156 HydrophobicContact CG2-CD1 4.12Å; T121-L156 HydrophobicContact CG2-CD2 3.92Å; F152-L156 HydrophobicContact CD1-CD1 4.2Å; F152-L156 HydrophobicContact CD1-CG 4.45Å; F152-L156 HydrophobicContact CE1-CD1 3.32Å; F152-L156 HydrophobicContact CE1-CG 3.86Å; F152-L156 HydrophobicContact CE2-CD1 4.37Å; F152-L156 HydrophobicContact CE2-CD2 4.26Å; F152-L156 HydrophobicContact CE2-CG 4.19Å; F152-L156 HydrophobicContact CZ-CD1 3.44Å; F152-L156 VanDerWaalsContact CZ-CD1 3.44Å; F152-L156 HydrophobicContact CZ-CD2 3.99Å; F152-L156 HydrophobicContact CZ-CG 3.72Å; F152-L156 PolarHBondContact O-N 3.5Å; L153-L156 PolarHBondContact O-N 3.18Å; L156-V158 VanDerWaalsContact C-N 3.33Å; L156-V158 PolarHBondContact O-N 2.96Å; L156-I159 WeakPolarHBondContact O-CB 3.31Å; L156-I159 PolarHBondContact O-N 2.85Å; L156-I159 VanDerWaalsContact O-N 3.12Å; L156-S160 PolarHBondContact O-N 3.24Å; L156-S160 PolarHBondContact O-OG 2.86Å; L156-L197 HydrophobicContact CD1-CD2 4.39Å
157I76Confident81.6Confident15 Ų1567 Ų678%0.07734%0.337CS..Hα-helixtrans-63.8-38.6179.6-70.7163.2000111.4L116 L153 K154 H155 I159 S160 K161 V162 L164 L169L116-I157 HydrophobicContact CD2-CD1 4.33Å; L116-I157 HydrophobicContact CD2-CG1 4.05Å; L153-I157 WeakPolarHBondContact O-CB 3.26Å; L153-I157 WeakPolarHBondContact O-CD1 3.49Å; L153-I157 WeakPolarHBondContact O-CG1 3.35Å; L153-I157 PolarHBondContact O-N 2.91Å; K154-I157 PolarHBondContact O-N 3.42Å; H155-I157 PolarHBondContact O-N 3.14Å; I157-I159 VanDerWaalsContact C-N 3.3Å; I157-I159 PolarHBondContact O-N 3.29Å; I157-S160 WeakPolarHBondContact CA-OG 3.46Å; I157-S160 PolarHBondContact O-N 3.02Å; I157-S160 PolarHBondContact O-OG 3.34Å; I157-K161 PolarHBondContact O-N 2.67Å; I157-V162 HydrophobicContact CG2-CB 4.26Å; I157-V162 WeakPolarHBondContact CG2-O 3.5Å; I157-V162 PolarHBondContact O-N 3.05Å; I157-L164 HydrophobicContact CD1-CB 4.1Å; I157-L164 HydrophobicContact CD1-CD1 3.45Å; I157-L164 VanDerWaalsContact CD1-CD1 3.45Å; I157-L164 HydrophobicContact CD1-CG 4.41Å; I157-L164 HydrophobicContact CG1-CD1 3.89Å; I157-L164 HydrophobicContact CG2-CB 4.41Å; I157-L169 HydrophobicContact CD1-CD1 3.31Å
158V76.4Confident81.3Confident110 Ų11065 Ų6567%0.66732%0.324SS*.Hα-helixtrans-62.5-39174173.80000111.2K154 H155 L156K154-V158 WeakPolarHBondContact O-CG2 3.5Å; K154-V158 PolarHBondContact O-N 2.96Å; K154-V158 VanDerWaalsContact O-N 3.12Å; H155-V158 PolarHBondContact O-N 3.24Å; L156-V158 VanDerWaalsContact C-N 3.33Å; L156-V158 PolarHBondContact O-N 2.96Å
159I70.6Confident81.1Confident86 Ų8665 Ų6544%0.44132%0.324SS..Hα-helixtrans-67.4-42.4177.3-65.1167.8000110.7H155 L156 I157 K161H155-I159 WeakPolarHBondContact O-CG1 3.25Å; H155-I159 PolarHBondContact O-N 3.45Å; L156-I159 WeakPolarHBondContact O-CB 3.31Å; L156-I159 PolarHBondContact O-N 2.85Å; L156-I159 VanDerWaalsContact O-N 3.12Å; I157-I159 VanDerWaalsContact C-N 3.3Å; I157-I159 PolarHBondContact O-N 3.29Å; I159-K161 VanDerWaalsContact C-N 3.31Å; I159-K161 PolarHBondContact O-N 2.85Å
160S68Low81Confident40 Ų4068.1 Ų68.128%0.2834%0.341SS..Hα-helixtrans-81-7.8-176.2690000114.5L156 I157 V162L156-S160 PolarHBondContact O-N 3.24Å; L156-S160 PolarHBondContact O-OG 2.86Å; I157-S160 WeakPolarHBondContact CA-OG 3.46Å; I157-S160 PolarHBondContact O-N 3.02Å; I157-S160 PolarHBondContact O-OG 3.34Å; S160-V162 PolarHBondContact O-N 3.41Å; S160-V162 WeakPolarHBondContact OG-CG2 3.18Å
161K72Confident80.9Confident188 Ų18869 Ų6982%0.81735%0.345SS*.THydrogen-bonded Turntrans58.626-176.9-55.4177.1179.9172.80113.6I157 I159I157-K161 PolarHBondContact O-N 2.67Å; I159-K161 VanDerWaalsContact C-N 3.31Å; I159-K161 PolarHBondContact O-N 2.85Å
162V70.9Confident80.9Confident39 Ų3964.5 Ų64.524%0.23632%0.324CS..  trans-79.8136.4172.2176.60000108.2T112 A115 I157 S160 L164T112-V162 HydrophobicContact CG2-CG1 4.2Å; A115-V162 HydrophobicContact CB-CG2 4.29Å; I157-V162 HydrophobicContact CG2-CB 4.26Å; I157-V162 WeakPolarHBondContact CG2-O 3.5Å; I157-V162 PolarHBondContact O-N 3.05Å; S160-V162 PolarHBondContact O-N 3.41Å; S160-V162 WeakPolarHBondContact OG-CG2 3.18Å; V162-L164 HydrophobicContact CG1-CD1 3.9Å; V162-L164 HydrophobicContact CG1-CG 4.01Å
163E74.8Confident81Confident191 Ų19164.4 Ų64.489%0.89332%0.324SS*.  trans-93.1116.8170.4-72.2-166.3164.900109.2
164L78.4Confident81.3Confident38 Ų3869 Ų6920%0.19935%0.345CS..  trans-129.7138.6178-91.2161.6000109.8T112 I157 V162 K168 Y172T112-L164 HydrophobicContact CG2-CD2 4.27Å; T112-L164 HydrophobicContact CG2-CG 4.48Å; I157-L164 HydrophobicContact CD1-CB 4.1Å; I157-L164 HydrophobicContact CD1-CD1 3.45Å; I157-L164 VanDerWaalsContact CD1-CD1 3.45Å; I157-L164 HydrophobicContact CD1-CG 4.41Å; I157-L164 HydrophobicContact CG1-CD1 3.89Å; I157-L164 HydrophobicContact CG2-CB 4.41Å; V162-L164 HydrophobicContact CG1-CD1 3.9Å; V162-L164 HydrophobicContact CG1-CG 4.01Å; L164-K168 HydrophobicContact CD2-CB 3.82Å; L164-Y172 HydrophobicContact CD1-CD2 4.36Å; L164-Y172 HydrophobicContact CD1-CE2 4.06Å; L164-Y172 HydrophobicContact CD2-CD2 4.41Å; L164-Y172 HydrophobicContact CD2-CE2 3.69Å
165S85.8Confident81.5Confident55 Ų5564.4 Ų64.439%0.38533%0.326SS..  trans-73.5153.4174.490.50000110.7E167 K168 L169S165-E167 VanDerWaalsContact CB-OE2 3.28Å; S165-E167 WeakPolarHBondContact CB-OE2 3.26Å; S165-E167 PolarHBondContact O-N 3Å; S165-E167 PolarHBondContact OG-N 3.46Å; S165-E167 PolarHBondContact OG-OE2 2.84Å; S165-K168 PolarHBondContact O-N 3Å; S165-K168 PolarHBondContact OG-N 3.24Å; S165-L169 WeakPolarHBondContact O-CB 3.24Å; S165-L169 PolarHBondContact O-N 3.42Å
166D86.8Confident81.8Confident78 Ų7860.6 Ų60.642%0.41731%0.308SS..Hα-helixtrans-62.9-27.2178.6-86.5-21.2000111.7K154 N170K154-D166 IonicContact NZ-OD1 3.23Å; K154-D166 PolarHBondContact NZ-OD1 3.16Å; K154-D166 IonicContact NZ-OD2 2.95Å; D166-N170 PolarHBondContact O-N 2.98Å; D166-N170 VanDerWaalsContact O-N 3.1Å
167E87.9Confident82.4Confident137 Ų13760.9 Ų60.964%0.6431%0.31SS*.Hα-helixtrans-69.3-46174.6-58.975.4-162.500111.9S165 L169 N170 E171S165-E167 VanDerWaalsContact CB-OE2 3.28Å; S165-E167 WeakPolarHBondContact CB-OE2 3.26Å; S165-E167 PolarHBondContact O-N 3Å; S165-E167 PolarHBondContact OG-N 3.46Å; S165-E167 PolarHBondContact OG-OE2 2.84Å; E167-L169 VanDerWaalsContact C-N 3.27Å; E167-L169 PolarHBondContact O-N 3.03Å; E167-N170 WeakPolarHBondContact O-CB 3.35Å; E167-N170 PolarHBondContact O-N 3.28Å; E167-E171 PolarHBondContact O-N 3.26Å
168K85.4Confident83Confident58 Ų5866.9 Ų66.925%0.25233%0.331SS..Hα-helixtrans-65.3-35.1175.5-86.7-75.5173.1-172.80111.6E110 L164 S165 N170 E171 Y172E110-K168 IonicContact OE1-NZ 3.24Å; E110-K168 IonicContact OE2-NZ 4Å; E110-K168 PolarHBondContact OE2-NZ 2.83Å; L164-K168 HydrophobicContact CD2-CB 3.82Å; S165-K168 PolarHBondContact O-N 3Å; S165-K168 PolarHBondContact OG-N 3.24Å; K168-N170 VanDerWaalsContact C-N 3.34Å; K168-N170 PolarHBondContact O-N 2.98Å; K168-E171 WeakPolarHBondContact CD-OE2 3.49Å; K168-E171 VanDerWaalsContact CE-OE2 3.26Å; K168-E171 WeakPolarHBondContact CE-OE2 3.4Å; K168-E171 IonicContact NZ-OE1 2.73Å; K168-E171 PolarHBondContact NZ-OE1 2.77Å; K168-E171 IonicContact NZ-OE2 2.74Å; K168-E171 PolarHBondContact NZ-OE2 3.06Å; K168-E171 WeakPolarHBondContact O-CB 3.35Å; K168-E171 PolarHBondContact O-N 3.09Å; K168-Y172 HydrophobicContact CD-CE1 4.14Å; K168-Y172 WeakPolarHBondContact O-CB 3.4Å; K168-Y172 VanDerWaalsContact O-CG 3.23Å; K168-Y172 PolarHBondContact O-N 3.34Å
169L87.1Confident83.5Confident4 Ų462.2 Ų62.22%0.02130%0.302CS..Hα-helixtrans-61.9-41.8174.2-169.865.3000112.3K150 L153 K154 I157 S165 E167 Y172 A173K150-L169 HydrophobicContact CD-CD2 4.47Å; K150-L169 HydrophobicContact CG-CD2 3.65Å; K150-L169 HydrophobicContact CG-CG 3.84Å; L153-L169 HydrophobicContact CB-CD1 3.54Å; L153-L169 HydrophobicContact CD1-CD1 4.32Å; K154-L169 HydrophobicContact CB-CD2 3.9Å; K154-L169 HydrophobicContact CD-CD2 4.39Å; K154-L169 HydrophobicContact CG-CD2 4.3Å; I157-L169 HydrophobicContact CD1-CD1 3.31Å; S165-L169 WeakPolarHBondContact O-CB 3.24Å; S165-L169 PolarHBondContact O-N 3.42Å; E167-L169 VanDerWaalsContact C-N 3.27Å; E167-L169 PolarHBondContact O-N 3.03Å; L169-Y172 PolarHBondContact O-N 3.39Å; L169-A173 WeakPolarHBondContact O-CB 3.44Å; L169-A173 PolarHBondContact O-N 2.79Å
170N89.3Confident84.3Confident65 Ų6558.1 Ų58.135%0.34828%0.282SS..Hα-helixtrans-63-47.1173.4-80.2-4.8000111.5K150 D166 E167 K168 Y172 A173 E174K150-N170 WeakPolarHBondContact CD-OD1 3.45Å; K150-N170 WeakPolarHBondContact CE-OD1 3.49Å; K150-N170 PolarHBondContact NZ-OD1 3.28Å; D166-N170 PolarHBondContact O-N 2.98Å; D166-N170 VanDerWaalsContact O-N 3.1Å; E167-N170 WeakPolarHBondContact O-CB 3.35Å; E167-N170 PolarHBondContact O-N 3.28Å; K168-N170 VanDerWaalsContact C-N 3.34Å; K168-N170 PolarHBondContact O-N 2.98Å; N170-Y172 VanDerWaalsContact C-N 3.27Å; N170-Y172 PolarHBondContact O-N 2.72Å; N170-A173 PolarHBondContact O-N 3.19Å; N170-E174 WeakPolarHBondContact O-CG 3.39Å; N170-E174 PolarHBondContact O-N 3.42Å
171E88.2Confident85.3Confident58 Ų5857.4 Ų57.427%0.27128%0.275SS..Hα-helixtrans-55.6-44.5177.5-174.5-170.6151.200110.9E167 K168 T175E167-E171 PolarHBondContact O-N 3.26Å; K168-E171 WeakPolarHBondContact CD-OE2 3.49Å; K168-E171 VanDerWaalsContact CE-OE2 3.26Å; K168-E171 WeakPolarHBondContact CE-OE2 3.4Å; K168-E171 IonicContact NZ-OE1 2.73Å; K168-E171 PolarHBondContact NZ-OE1 2.77Å; K168-E171 IonicContact NZ-OE2 2.74Å; K168-E171 PolarHBondContact NZ-OE2 3.06Å; K168-E171 WeakPolarHBondContact O-CB 3.35Å; K168-E171 PolarHBondContact O-N 3.09Å; E171-T175 VanDerWaalsContact O-CB 3.31Å; E171-T175 WeakPolarHBondContact O-CB 3.49Å; E171-T175 PolarHBondContact O-N 2.95Å; E171-T175 PolarHBondContact O-OG1 3.38Å
172Y88Confident85.8Confident0 Ų053.7 Ų53.70%026%0.255CS..Hα-helixtrans-68.1-43.7178.6-65.6-12000112.2A30 E110 T112 F113 L116 L164 K168 L169 N170 E174 T175 L176A30-Y172 HydrophobicContact CB-CD1 3.76Å; A30-Y172 HydrophobicContact CB-CE1 3.68Å; E110-Y172 PolarHBondContact OE2-OH 3.26Å; T112-Y172 PolarHBondContact OG1-OH 3.49Å; F113-Y172 HydrophobicContact CB-CE1 4.03Å; F113-Y172 HydrophobicContact CB-CE2 4.3Å; F113-Y172 AromaticContact CD2-CD1 3.67Å; F113-Y172 HydrophobicContact CD2-CD1 3.67Å; F113-Y172 HydrophobicContact CD2-CD2 4.39Å; F113-Y172 AromaticContact CD2-CE1 3.9Å; F113-Y172 HydrophobicContact CD2-CE1 3.9Å; F113-Y172 AromaticContact CD2-CG 3.93Å; F113-Y172 HydrophobicContact CD2-CG 3.93Å; F113-Y172 HydrophobicContact CE2-CD1 4.34Å; F113-Y172 HydrophobicContact CG-CE1 4.38Å; L116-Y172 HydrophobicContact CD1-CD2 3.68Å; L116-Y172 HydrophobicContact CD1-CG 4.11Å; L164-Y172 HydrophobicContact CD1-CD2 4.36Å; L164-Y172 HydrophobicContact CD1-CE2 4.06Å; L164-Y172 HydrophobicContact CD2-CD2 4.41Å; L164-Y172 HydrophobicContact CD2-CE2 3.69Å; K168-Y172 HydrophobicContact CD-CE1 4.14Å; K168-Y172 WeakPolarHBondContact O-CB 3.4Å; K168-Y172 VanDerWaalsContact O-CG 3.23Å; K168-Y172 PolarHBondContact O-N 3.34Å; L169-Y172 PolarHBondContact O-N 3.39Å; N170-Y172 VanDerWaalsContact C-N 3.27Å; N170-Y172 PolarHBondContact O-N 2.72Å; Y172-E174 PolarHBondContact O-N 2.85Å; Y172-T175 PolarHBondContact O-N 2.76Å; Y172-L176 WeakPolarHBondContact O-CB 3.35Å; Y172-L176 VanDerWaalsContact O-CG 3.24Å; Y172-L176 WeakPolarHBondContact O-CG 3.4Å; Y172-L176 PolarHBondContact O-N 2.96Å
173A89.2Confident86.5Confident0 Ų055.9 Ų55.90%027%0.266CS..Hα-helixtrans-59.2-46.8176.400000111.9L149 K150 L153 L169 N170 T175 L176 I177L149-A173 HydrophobicContact CD2-CB 4.33Å; L149-A173 HydrophobicContact CG-CB 4.38Å; K150-A173 HydrophobicContact CB-CB 4.34Å; L153-A173 HydrophobicContact CD1-CB 4Å; L169-A173 WeakPolarHBondContact O-CB 3.44Å; L169-A173 PolarHBondContact O-N 2.79Å; N170-A173 PolarHBondContact O-N 3.19Å; A173-T175 VanDerWaalsContact C-N 3.33Å; A173-T175 PolarHBondContact O-N 3.25Å; A173-L176 PolarHBondContact O-N 3.37Å; A173-I177 WeakPolarHBondContact O-CG1 3.45Å; A173-I177 PolarHBondContact O-N 3.33Å
174E89.8Confident87Confident98 Ų9849.7 Ų49.746%0.45825%0.253SS..Hα-helixtrans-63.6-39.3176.9-71.6-179-164.200112.4N170 Y172 R178N170-E174 WeakPolarHBondContact O-CG 3.39Å; N170-E174 PolarHBondContact O-N 3.42Å; Y172-E174 PolarHBondContact O-N 2.85Å; E174-R178 WeakPolarHBondContact O-CG 3.43Å; E174-R178 PolarHBondContact O-N 3.34Å
175T88Confident87.6Confident6 Ų651.9 Ų51.94%0.03727%0.265CS..Hα-helixtrans-66.6-44.2178.4-57.10000111A30 L34 F113 E171 Y172 A173 R178 L179A30-T175 HydrophobicContact CB-CG2 4.19Å; A30-T175 WeakPolarHBondContact O-CG2 3.41Å; L34-T175 HydrophobicContact CB-CG2 3.81Å; L34-T175 HydrophobicContact CD2-CG2 4.12Å; L34-T175 HydrophobicContact CG-CG2 4.48Å; F113-T175 HydrophobicContact CE2-CG2 4.37Å; F113-T175 HydrophobicContact CZ-CG2 4.29Å; E171-T175 VanDerWaalsContact O-CB 3.31Å; E171-T175 WeakPolarHBondContact O-CB 3.49Å; E171-T175 PolarHBondContact O-N 2.95Å; E171-T175 PolarHBondContact O-OG1 3.38Å; Y172-T175 PolarHBondContact O-N 2.76Å; A173-T175 VanDerWaalsContact C-N 3.33Å; A173-T175 PolarHBondContact O-N 3.25Å; T175-R178 PolarHBondContact O-N 2.92Å; T175-L179 HydrophobicContact CG2-CD1 4Å; T175-L179 WeakPolarHBondContact O-CG 3.4Å; T175-L179 PolarHBondContact O-N 3.33Å
176L88.4Confident87.8Confident1 Ų151.1 Ų51.11%0.00527%0.266CS..Hα-helixtrans-65.9-39.8179.8-71179.2000112.4F113 L116 F117 L149 L153 Y172 A173 R178 L179 F180 L196F113-L176 HydrophobicContact CE2-CD2 3.98Å; F113-L176 HydrophobicContact CE2-CG 4.34Å; F113-L176 HydrophobicContact CZ-CD2 4.05Å; L116-L176 HydrophobicContact CD1-CD1 4.24Å; F117-L176 HydrophobicContact CE1-CD2 4.03Å; F117-L176 HydrophobicContact CE2-CD2 4.02Å; F117-L176 HydrophobicContact CZ-CD2 3.33Å; L149-L176 HydrophobicContact CD2-CB 4.02Å; L153-L176 HydrophobicContact CD1-CD1 3.95Å; L153-L176 HydrophobicContact CD2-CD1 3.86Å; L153-L176 HydrophobicContact CG-CD1 4.49Å; Y172-L176 WeakPolarHBondContact O-CB 3.35Å; Y172-L176 VanDerWaalsContact O-CG 3.24Å; Y172-L176 WeakPolarHBondContact O-CG 3.4Å; Y172-L176 PolarHBondContact O-N 2.96Å; A173-L176 PolarHBondContact O-N 3.37Å; L176-R178 VanDerWaalsContact C-N 3.33Å; L176-R178 PolarHBondContact O-N 3.19Å; L176-L179 HydrophobicContact CD2-CD1 4.2Å; L176-L179 PolarHBondContact O-N 3.43Å; L176-F180 HydrophobicContact CD2-CE2 4.36Å; L176-F180 WeakPolarHBondContact O-CD2 3.43Å; L176-F180 PolarHBondContact O-N 3.45Å; L176-F180 VanDerWaalsContact O-N 3.12Å; L176-L196 HydrophobicContact CD1-CD1 4.13Å; L176-L196 HydrophobicContact CD1-CD2 4.26Å; L176-L196 HydrophobicContact CD2-CD1 3.65Å; L176-L196 HydrophobicContact CG-CD1 4.32Å
177I90.2Very high88.1Confident12 Ų1250.6 Ų50.66%0.06226%0.26CS..Hα-helixtrans-57-51.6171.9-72.3178.3000109.4L149 A173 L179 F180 D181 L188L149-I177 HydrophobicContact CD2-CD1 4.25Å; L149-I177 HydrophobicContact CD2-CG1 3.69Å; A173-I177 WeakPolarHBondContact O-CG1 3.45Å; A173-I177 PolarHBondContact O-N 3.33Å; I177-L179 PolarHBondContact O-N 3Å; I177-L179 VanDerWaalsContact O-N 3.1Å; I177-F180 PolarHBondContact O-N 3.5Å; I177-F180 VanDerWaalsContact O-N 3.11Å; I177-D181 HydrophobicContact CG2-CB 3.92Å; I177-D181 WeakPolarHBondContact O-CA 3.43Å; I177-D181 WeakPolarHBondContact O-CB 3.3Å; I177-D181 PolarHBondContact O-N 3.47Å; I177-L188 HydrophobicContact CG1-CD1 4.4Å; I177-L188 HydrophobicContact CG1-CG 4.18Å
178R88.4Confident88.3Confident140 Ų14044 Ų4453%0.52823%0.23SC..Hα-helixtrans-64.2-19.9-179-68.3178.1-173.1-1798.5115.2L34 E174 T175 L176L34-R178 HydrophobicContact CD1-CB 3.99Å; L34-R178 HydrophobicContact CD2-CB 3.83Å; L34-R178 HydrophobicContact CD2-CG 4.5Å; E174-R178 WeakPolarHBondContact O-CG 3.43Å; E174-R178 PolarHBondContact O-N 3.34Å; T175-R178 PolarHBondContact O-N 2.92Å; L176-R178 VanDerWaalsContact C-N 3.33Å; L176-R178 PolarHBondContact O-N 3.19Å
179L86.2Confident88.6Confident12 Ų1242.4 Ų42.46%0.06322%0.223CC..Hα-helixtrans-83.3-31.2176.5-76.5166.5000112.6F33 L34 W37 I100 F113 T175 L176 I177F33-L179 HydrophobicContact CE1-CD2 4.42Å; L34-L179 HydrophobicContact CB-CD2 4.34Å; L34-L179 HydrophobicContact CD1-CD2 3.48Å; L34-L179 VanDerWaalsContact CD1-CD2 3.48Å; L34-L179 HydrophobicContact CD1-CG 3.74Å; W37-L179 HydrophobicContact CB-CD2 3.95Å; W37-L179 HydrophobicContact CG-CD2 3.89Å; I100-L179 HydrophobicContact CD1-CB 4Å; I100-L179 HydrophobicContact CD1-CD1 3.82Å; I100-L179 HydrophobicContact CD1-CD2 3.81Å; I100-L179 HydrophobicContact CD1-CG 4.06Å; F113-L179 HydrophobicContact CZ-CD1 4.02Å; T175-L179 HydrophobicContact CG2-CD1 4Å; T175-L179 WeakPolarHBondContact O-CG 3.4Å; T175-L179 PolarHBondContact O-N 3.33Å; L176-L179 HydrophobicContact CD2-CD1 4.2Å; L176-L179 PolarHBondContact O-N 3.43Å; I177-L179 PolarHBondContact O-N 3Å; I177-L179 VanDerWaalsContact O-N 3.1Å
180F86.6Confident88.6Confident1 Ų142.2 Ų42.20%0.00422%0.222CC..Hα-helixtrans-118.8-21.5-168.8-72.5-88.7000114.5I100 F117 L176 I177 R182 L188 E192 R195 L196I100-F180 HydrophobicContact CD1-CE2 3.72Å; I100-F180 HydrophobicContact CD1-CZ 3.83Å; I100-F180 HydrophobicContact CG2-CE1 4.27Å; I100-F180 HydrophobicContact CG2-CZ 3.7Å; F117-F180 AromaticContact CE1-CE2 3.97Å; F117-F180 HydrophobicContact CE1-CE2 3.97Å; F117-F180 HydrophobicContact CE1-CZ 4.1Å; F117-F180 HydrophobicContact CZ-CE2 4.48Å; L176-F180 HydrophobicContact CD2-CE2 4.36Å; L176-F180 WeakPolarHBondContact O-CD2 3.43Å; L176-F180 PolarHBondContact O-N 3.45Å; L176-F180 VanDerWaalsContact O-N 3.12Å; I177-F180 PolarHBondContact O-N 3.5Å; I177-F180 VanDerWaalsContact O-N 3.11Å; F180-R182 PolarHBondContact O-N 3.36Å; F180-L188 HydrophobicContact CB-CD2 3.63Å; F180-E192 HydrophobicContact CB-CB 4.44Å; F180-E192 WeakPolarHBondContact O-CB 3.23Å; F180-E192 VanDerWaalsContact O-CD 3.28Å; F180-E192 WeakPolarHBondContact O-CG 3.22Å; F180-R195 HydrophobicContact CD1-CB 3.93Å; F180-R195 HydrophobicContact CE1-CB 3.98Å; F180-L196 HydrophobicContact CD1-CB 4.14Å; F180-L196 HydrophobicContact CD2-CB 4.21Å; F180-L196 HydrophobicContact CD2-CD1 3.84Å; F180-L196 HydrophobicContact CE1-CB 4.14Å; F180-L196 HydrophobicContact CE2-CB 4.21Å; F180-L196 HydrophobicContact CE2-CD1 3.41Å; F180-L196 VanDerWaalsContact CE2-CD1 3.41Å; F180-L196 HydrophobicContact CE2-CG 4.4Å; F180-L196 HydrophobicContact CG-CB 4.17Å; F180-L196 HydrophobicContact CZ-CB 4.15Å; F180-L196 HydrophobicContact CZ-CD1 3.86Å
181D89.3Confident88.3Confident25 Ų2540.1 Ų40.113%0.13421%0.212CC..  trans-69.692.7172.8174.511.5000109.5I177 N183 G184 D185 G186 K187 L188I177-D181 HydrophobicContact CG2-CB 3.92Å; I177-D181 WeakPolarHBondContact O-CA 3.43Å; I177-D181 WeakPolarHBondContact O-CB 3.3Å; I177-D181 PolarHBondContact O-N 3.47Å; D181-N183 PolarHBondContact OD1-N 3Å; D181-N183 PolarHBondContact OD1-OD1 2.72Å; D181-G184 WeakPolarHBondContact OD1-CA 3.36Å; D181-G184 PolarHBondContact OD1-N 3.24Å; D181-G184 WeakPolarHBondContact OD2-CA 3.43Å; D181-D185 PolarHBondContact OD1-N 3.13Å; D181-D185 PolarHBondContact OD2-N 3.26Å; D181-G186 VanDerWaalsContact OD2-CA 3.23Å; D181-G186 WeakPolarHBondContact OD2-CA 3.16Å; D181-G186 PolarHBondContact OD2-N 3.03Å; D181-K187 WeakPolarHBondContact CB-O 3.42Å; D181-L188 HydrophobicContact CB-CD2 4.25Å
182R83.1Confident88.3Confident109 Ų10937.6 Ų37.641%0.41120%0.201SC..SBendtrans-78.8-32.4-178.6-79-175.6172171.12.4111.8N45 F180 G184 E192 E255N45-R182 PolarHBondContact O-NH2 2.76Å; F180-R182 PolarHBondContact O-N 3.36Å; R182-G184 VanDerWaalsContact C-N 3.29Å; R182-E192 PolarHBondContact N-OE1 2.79Å; R182-E255 IonicContact NH1-OE1 2.65Å; R182-E255 PolarHBondContact NH1-OE1 3.26Å
183N85.4Confident88.1Confident86 Ų8637.9 Ų37.946%0.4620%0.202SC..SBendtrans-81.3-14.6-175.87814000112D181 D185D181-N183 PolarHBondContact OD1-N 3Å; D181-N183 PolarHBondContact OD1-OD1 2.72Å; N183-D185 PolarHBondContact ND2-OD2 2.96Å; N183-D185 WeakPolarHBondContact OD1-CB 2.99Å; N183-D185 PolarHBondContact OD1-N 3.46Å; N183-D185 PolarHBondContact OD1-OD1 3.23Å; N183-D185 PolarHBondContact OD1-OD2 3.45Å
184G86.4Confident87.7Confident61 Ų6138.3 Ų38.363%0.62921%0.205SC*.  trans74.722.1176.500000113.9D181 R182 G186D181-G184 WeakPolarHBondContact OD1-CA 3.36Å; D181-G184 PolarHBondContact OD1-N 3.24Å; D181-G184 WeakPolarHBondContact OD2-CA 3.43Å; R182-G184 VanDerWaalsContact C-N 3.29Å; G184-G186 VanDerWaalsContact C-N 3.26Å
185D90.1Very high87.2Confident84 Ų8436.3 Ų36.345%0.44919%0.194SC..SBendtrans-81.8-4.9-179.174.817.1000113.6D181 N183 K187D181-D185 PolarHBondContact OD1-N 3.13Å; D181-D185 PolarHBondContact OD2-N 3.26Å; N183-D185 PolarHBondContact ND2-OD2 2.96Å; N183-D185 WeakPolarHBondContact OD1-CB 2.99Å; N183-D185 PolarHBondContact OD1-N 3.46Å; N183-D185 PolarHBondContact OD1-OD1 3.23Å; N183-D185 PolarHBondContact OD1-OD2 3.45Å; D185-K187 VanDerWaalsContact C-N 3.35Å; D185-K187 WeakPolarHBondContact OD1-CA 3.45Å; D185-K187 VanDerWaalsContact OD1-CB 3.26Å; D185-K187 WeakPolarHBondContact OD1-CB 3.41Å; D185-K187 PolarHBondContact OD1-N 2.87Å
186G90.7Very high86.8Confident39 Ų3936.5 Ų36.540%0.40219%0.194SC..SBendtrans82.211.5-179.800000113.8D181 G184D181-G186 VanDerWaalsContact OD2-CA 3.23Å; D181-G186 WeakPolarHBondContact OD2-CA 3.16Å; D181-G186 PolarHBondContact OD2-N 3.03Å; G184-G186 VanDerWaalsContact C-N 3.26Å
187K92.9Very high86.1Confident66 Ų6637 Ų3729%0.28720%0.197SC..SBendtrans-132.1167.3179.3-50.7-172.5178.2-167.10109.8S143 I144 D145 D181 D185S143-K187 WeakPolarHBondContact OG-CD 3.15Å; I144-K187 WeakPolarHBondContact O-CA 3.29Å; D145-K187 HydrophobicContact CB-CD 4.37Å; D145-K187 HydrophobicContact CB-CG 4.24Å; D181-K187 WeakPolarHBondContact CB-O 3.42Å; D185-K187 VanDerWaalsContact C-N 3.35Å; D185-K187 WeakPolarHBondContact OD1-CA 3.45Å; D185-K187 VanDerWaalsContact OD1-CB 3.26Å; D185-K187 WeakPolarHBondContact OD1-CB 3.41Å; D185-K187 PolarHBondContact OD1-N 2.87Å
188L91.1Very high84.9Confident0 Ų041.1 Ų41.10%021%0.214CC..BIsolated β-bridgetrans-105.5119.6173.5-64.7176.3000109.5W133 S143 I144 L149 I177 F180 D181 E192 M193 L196W133-L188 WeakPolarHBondContact CH2-O 3.09Å; S143-L188 CarbonylContact C-O 3.52Å; S143-L188 WeakPolarHBondContact CA-O 3.41Å; I144-L188 HydrophobicContact CB-CB 4.44Å; I144-L188 PolarHBondContact N-O 3.32Å; I144-L188 PolarHBondContact O-N 3.46Å; L149-L188 HydrophobicContact CD1-CD1 4.24Å; L149-L188 HydrophobicContact CD2-CD1 3.9Å; I177-L188 HydrophobicContact CG1-CD1 4.4Å; I177-L188 HydrophobicContact CG1-CG 4.18Å; F180-L188 HydrophobicContact CB-CD2 3.63Å; D181-L188 HydrophobicContact CB-CD2 4.25Å; L188-E192 WeakPolarHBondContact CA-OE2 3.44Å; L188-E192 HydrophobicContact CB-CB 4.46Å; L188-E192 HydrophobicContact CD2-CB 3.97Å; L188-M193 HydrophobicContact CB-CB 4.45Å; L188-M193 HydrophobicContact CD1-SD 4.07Å; L188-L196 HydrophobicContact CD1-CD2 4.16Å
189Q91.4Very high83.7Confident23 Ų2335.6 Ų35.611%0.10720%0.196CC..  trans-78.1172.7166.576.9-168-63.500110.9W133 S191 E192 M193W133-Q189 VanDerWaalsContact CH2-C 3.48Å; Q189-S191 WeakPolarHBondContact CG-OG 3.35Å; Q189-S191 PolarHBondContact O-N 3.21Å; Q189-E192 HydrophobicContact CG-CB 4.31Å; Q189-E192 HydrophobicContact CG-CG 3.76Å; Q189-E192 WeakPolarHBondContact CG-OE2 3.27Å; Q189-E192 PolarHBondContact N-OE2 3.24Å; Q189-E192 PolarHBondContact NE2-OE1 3.04Å; Q189-E192 PolarHBondContact O-N 2.77Å; Q189-E192 VanDerWaalsContact O-N 3.09Å; Q189-M193 PolarHBondContact O-N 3.29Å
190L87.8Confident82.4Confident0 Ų040.7 Ų40.70%022%0.218CC..Hα-helixtrans-59.3-43.9-170.1-157.4153.9000113F129 M130 W133 A194 K246 V256 E258 L261F129-L190 HydrophobicContact CE1-CD2 3.69Å; F129-L190 HydrophobicContact CE1-CG 4.02Å; F129-L190 HydrophobicContact CZ-CD2 4.48Å; M130-L190 HydrophobicContact CE-CD1 3.82Å; M130-L190 HydrophobicContact SD-CD1 3.83Å; M130-L190 HydrophobicContact SD-CD2 4.16Å; M130-L190 HydrophobicContact SD-CG 4.35Å; W133-L190 HydrophobicContact CD2-CD1 4.48Å; W133-L190 HydrophobicContact CD2-CG 4.25Å; W133-L190 HydrophobicContact CE3-CG 4.46Å; W133-L190 VanDerWaalsContact CH2-CA 3.49Å; W133-L190 HydrophobicContact CH2-CB 4.08Å; W133-L190 HydrophobicContact CZ2-CB 4.03Å; W133-L190 HydrophobicContact CZ2-CD1 4.46Å; W133-L190 HydrophobicContact CZ2-CG 4.3Å; W133-L190 HydrophobicContact CZ3-CB 4.48Å; L190-A194 WeakPolarHBondContact O-CB 3.43Å; L190-A194 PolarHBondContact O-N 3.35Å; L190-K246 HydrophobicContact CD2-CD 3.76Å; L190-K246 HydrophobicContact CD2-CG 4Å; L190-V256 HydrophobicContact CD2-CG1 3.98Å; L190-E258 HydrophobicContact CD1-CB 4.27Å; L190-L261 HydrophobicContact CD1-CD1 3.62Å; L190-L261 HydrophobicContact CD2-CD1 4.3Å
191S83.6Confident81.3Confident22 Ų2246.5 Ų46.515%0.15425%0.245CC..Hα-helixtrans-62.6-39.1175.256.30000113.1Q189 A194 R195 V256Q189-S191 WeakPolarHBondContact CG-OG 3.35Å; Q189-S191 PolarHBondContact O-N 3.21Å; S191-A194 PolarHBondContact O-N 2.85Å; S191-R195 PolarHBondContact O-N 3.29Å; S191-V256 WeakPolarHBondContact CB-O 3.3Å; S191-V256 PolarHBondContact N-O 3.11Å; S191-V256 PolarHBondContact OG-O 3.1Å
192E86.9Confident80.4Confident5 Ų546.1 Ų46.12%0.02324%0.243CC..Hα-helixtrans-70.3-43.6-178.5-65.2168165.300111.2F180 R182 L188 Q189 A194 R195 L196F180-E192 HydrophobicContact CB-CB 4.44Å; F180-E192 WeakPolarHBondContact O-CB 3.23Å; F180-E192 VanDerWaalsContact O-CD 3.28Å; F180-E192 WeakPolarHBondContact O-CG 3.22Å; R182-E192 PolarHBondContact N-OE1 2.79Å; L188-E192 WeakPolarHBondContact CA-OE2 3.44Å; L188-E192 HydrophobicContact CB-CB 4.46Å; L188-E192 HydrophobicContact CD2-CB 3.97Å; Q189-E192 HydrophobicContact CG-CB 4.31Å; Q189-E192 HydrophobicContact CG-CG 3.76Å; Q189-E192 WeakPolarHBondContact CG-OE2 3.27Å; Q189-E192 PolarHBondContact N-OE2 3.24Å; Q189-E192 PolarHBondContact NE2-OE1 3.04Å; Q189-E192 PolarHBondContact O-N 2.77Å; Q189-E192 VanDerWaalsContact O-N 3.09Å; E192-A194 VanDerWaalsContact C-N 3.35Å; E192-R195 WeakPolarHBondContact O-CB 3.49Å; E192-R195 PolarHBondContact O-N 3.12Å; E192-L196 PolarHBondContact O-N 3.2Å
193M84.9Confident79.8Confident5 Ų544 Ų443%0.02524%0.236CC..Hα-helixtrans-66.8-35.1174.1-173.368.7155.400112.4F129 W133 L149 F152 L188 Q189 R195 L196 L197F129-M193 HydrophobicContact CE2-CB 4.49Å; F129-M193 HydrophobicContact CE2-CG 4.05Å; F129-M193 HydrophobicContact CZ-CB 4.15Å; F129-M193 HydrophobicContact CZ-CG 4.06Å; W133-M193 HydrophobicContact CE3-CB 4.02Å; W133-M193 HydrophobicContact CE3-CG 3.86Å; W133-M193 HydrophobicContact CH2-CB 4.46Å; W133-M193 HydrophobicContact CZ3-CB 3.42Å; W133-M193 VanDerWaalsContact CZ3-CB 3.42Å; W133-M193 HydrophobicContact CZ3-CG 3.68Å; L149-M193 HydrophobicContact CD1-CE 3.99Å; L149-M193 HydrophobicContact CD1-SD 4.13Å; F152-M193 HydrophobicContact CD1-CE 3.67Å; F152-M193 HydrophobicContact CD2-CE 4.16Å; F152-M193 HydrophobicContact CE1-CE 3.84Å; F152-M193 HydrophobicContact CE2-CE 4.32Å; F152-M193 HydrophobicContact CG-CE 3.83Å; F152-M193 HydrophobicContact CZ-CE 4.16Å; L188-M193 HydrophobicContact CB-CB 4.45Å; L188-M193 HydrophobicContact CD1-SD 4.07Å; Q189-M193 PolarHBondContact O-N 3.29Å; M193-R195 VanDerWaalsContact C-N 3.3Å; M193-R195 PolarHBondContact O-N 3.26Å; M193-L196 WeakPolarHBondContact O-CB 3.37Å; M193-L196 PolarHBondContact O-N 2.96Å; M193-L196 HydrophobicContact SD-CD2 3.86Å; M193-L197 HydrophobicContact CE-CD1 4.02Å; M193-L197 HydrophobicContact CG-CD1 4.12Å; M193-L197 WeakPolarHBondContact O-CG 3.49Å; M193-L197 PolarHBondContact O-N 2.77Å; M193-L197 VanDerWaalsContact O-N 3.13Å; M193-L197 HydrophobicContact SD-CD1 4.17Å
194A81Confident79.2Confident9 Ų939.9 Ų39.97%0.07421%0.214CC..Hα-helixtrans-64-37.6174.200000111.8F129 L190 S191 E192 L197 K198 V199F129-A194 HydrophobicContact CE1-CB 4.34Å; F129-A194 HydrophobicContact CE2-CB 4.11Å; F129-A194 HydrophobicContact CZ-CB 3.82Å; L190-A194 WeakPolarHBondContact O-CB 3.43Å; L190-A194 PolarHBondContact O-N 3.35Å; S191-A194 PolarHBondContact O-N 2.85Å; E192-A194 VanDerWaalsContact C-N 3.35Å; A194-L197 PolarHBondContact O-N 3.4Å; A194-K198 PolarHBondContact O-N 3.01Å; A194-V199 HydrophobicContact CB-CG2 4.34Å
195R79Confident78.4Confident57 Ų5740.7 Ų40.722%0.21520%0.203CC..Hα-helixtrans-64.5-42.9172.8-113.3176.657.11043.9112.1G46 F180 S191 E192 M193 L197G46-R195 PolarHBondContact O-NH1 2.87Å; F180-R195 HydrophobicContact CD1-CB 3.93Å; F180-R195 HydrophobicContact CE1-CB 3.98Å; S191-R195 PolarHBondContact O-N 3.29Å; E192-R195 WeakPolarHBondContact O-CB 3.49Å; E192-R195 PolarHBondContact O-N 3.12Å; M193-R195 VanDerWaalsContact C-N 3.3Å; M193-R195 PolarHBondContact O-N 3.26Å; R195-L197 VanDerWaalsContact C-N 3.29Å; R195-L197 PolarHBondContact O-N 3.06Å
196L79.2Confident77.4Confident9 Ų942 Ų425%0.04720%0.204CC..Hα-helixtrans-58.7-40.8176.9172.662.4000112.2F117 L149 L176 F180 L188 E192 M193F117-L196 HydrophobicContact CD1-CD1 4.46Å; F117-L196 HydrophobicContact CE1-CD1 3.84Å; F117-L196 HydrophobicContact CZ-CD1 4.43Å; L149-L196 HydrophobicContact CD1-CD2 4.19Å; L176-L196 HydrophobicContact CD1-CD1 4.13Å; L176-L196 HydrophobicContact CD1-CD2 4.26Å; L176-L196 HydrophobicContact CD2-CD1 3.65Å; L176-L196 HydrophobicContact CG-CD1 4.32Å; F180-L196 HydrophobicContact CD1-CB 4.14Å; F180-L196 HydrophobicContact CD2-CB 4.21Å; F180-L196 HydrophobicContact CD2-CD1 3.84Å; F180-L196 HydrophobicContact CE1-CB 4.14Å; F180-L196 HydrophobicContact CE2-CB 4.21Å; F180-L196 HydrophobicContact CE2-CD1 3.41Å; F180-L196 VanDerWaalsContact CE2-CD1 3.41Å; F180-L196 HydrophobicContact CE2-CG 4.4Å; F180-L196 HydrophobicContact CG-CB 4.17Å; F180-L196 HydrophobicContact CZ-CB 4.15Å; F180-L196 HydrophobicContact CZ-CD1 3.86Å; L188-L196 HydrophobicContact CD1-CD2 4.16Å; E192-L196 PolarHBondContact O-N 3.2Å; M193-L196 WeakPolarHBondContact O-CB 3.37Å; M193-L196 PolarHBondContact O-N 2.96Å; M193-L196 HydrophobicContact SD-CD2 3.86Å
197L73.5Confident76.3Confident12 Ų1240.5 Ų40.56%0.06319%0.188CC..THydrogen-bonded Turntrans-95.45.9-169.6-63176.5000115.2T121 L123 F129 F152 L156 M193 A194 R195 V199T121-L197 HydrophobicContact CG2-CD2 4.37Å; L123-L197 HydrophobicContact CD1-CB 4.05Å; L123-L197 HydrophobicContact CD1-CD1 3.64Å; L123-L197 HydrophobicContact CD1-CG 4.35Å; F129-L197 HydrophobicContact CD2-CD1 4.32Å; F129-L197 HydrophobicContact CE2-CD1 4.03Å; F152-L197 HydrophobicContact CE1-CD1 4Å; F152-L197 HydrophobicContact CE1-CD2 3.63Å; F152-L197 HydrophobicContact CE1-CG 4.4Å; F152-L197 HydrophobicContact CE2-CD1 4.16Å; F152-L197 HydrophobicContact CZ-CD1 3.43Å; F152-L197 VanDerWaalsContact CZ-CD1 3.43Å; F152-L197 HydrophobicContact CZ-CD2 3.56Å; F152-L197 HydrophobicContact CZ-CG 4.16Å; L156-L197 HydrophobicContact CD1-CD2 4.39Å; M193-L197 HydrophobicContact CE-CD1 4.02Å; M193-L197 HydrophobicContact CG-CD1 4.12Å; M193-L197 WeakPolarHBondContact O-CG 3.49Å; M193-L197 PolarHBondContact O-N 2.77Å; M193-L197 VanDerWaalsContact O-N 3.13Å; M193-L197 HydrophobicContact SD-CD1 4.17Å; A194-L197 PolarHBondContact O-N 3.4Å; R195-L197 VanDerWaalsContact C-N 3.29Å; R195-L197 PolarHBondContact O-N 3.06Å; L197-V199 HydrophobicContact CB-CG2 4.37Å; L197-V199 PolarHBondContact O-N 3.05Å; L197-V199 VanDerWaalsContact O-N 3.16Å
198K66.5Low75.2Confident98 Ų9838 Ų3843%0.42618%0.177SC..THydrogen-bonded Turntrans40.451.8-174.3-68.5-161.2-177.7-162.40112.2N101 A194 K200N101-K198 VanDerWaalsContact CB-NZ 3.28Å; N101-K198 WeakPolarHBondContact ND2-CE 3.04Å; N101-K198 WeakPolarHBondContact OD1-CE 3.3Å; A194-K198 PolarHBondContact O-N 3.01Å; K198-K200 PolarHBondContact O-N 2.92Å; K198-K200 VanDerWaalsContact O-N 3.14Å
199V61.4Low74.1Confident25 Ų2542.8 Ų42.815%0.15220%0.198CC..  trans-54.9128.3179.4-174.20000108.4F129 A194 L197F129-V199 HydrophobicContact CB-CG1 4.13Å; F129-V199 HydrophobicContact CB-CG2 4.09Å; F129-V199 HydrophobicContact CD2-CG2 3.26Å; F129-V199 HydrophobicContact CE2-CG2 3.81Å; F129-V199 HydrophobicContact CG-CG2 3.79Å; A194-V199 HydrophobicContact CB-CG2 4.34Å; L197-V199 HydrophobicContact CB-CG2 4.37Å; L197-V199 PolarHBondContact O-N 3.05Å; L197-V199 VanDerWaalsContact O-N 3.16Å
200K59.7Low72.8Confident119 Ų11947.6 Ų47.652%0.51723%0.225SC..  trans-52.3148.7-173.3-75.2-168.6-178.8176.70112.2K198 N202K198-K200 PolarHBondContact O-N 2.92Å; K198-K200 VanDerWaalsContact O-N 3.14Å; K200-N202 PolarHBondContact O-N 2.99Å
201E63.7Low71.2Confident123 Ų12350.3 Ų50.358%0.57524%0.239SC*.  trans-16.2113.4176.9-132.4-174.7-164.500114Y203 K206E201-Y203 PolarHBondContact O-N 2.74Å; E201-K206 VanDerWaalsContact OE1-CE 3.31Å; E201-K206 WeakPolarHBondContact OE1-CE 3.19Å; E201-K206 IonicContact OE1-NZ 2.86Å; E201-K206 PolarHBondContact OE1-NZ 3.23Å; E201-K206 IonicContact OE2-NZ 2.68Å; E201-K206 PolarHBondContact OE2-NZ 3.06Å
202N70.7Confident69.8Low17 Ų1756.5 Ų56.59%0.09127%0.271CS..  trans-53.6110.1171.6173.6-26000109.3K200 L204 I205 D247 E250K200-N202 PolarHBondContact O-N 2.99Å; N202-L204 PolarHBondContact O-N 3.18Å; N202-L204 VanDerWaalsContact O-N 3.08Å; N202-L204 WeakPolarHBondContact OD1-CB 3.33Å; N202-L204 PolarHBondContact OD1-N 3.36Å; N202-I205 HydrophobicContact CB-CD1 3.79Å; N202-I205 HydrophobicContact CB-CG1 3.91Å; N202-I205 PolarHBondContact O-N 2.99Å; N202-D247 WeakPolarHBondContact ND2-CA 3.39Å; N202-D247 PolarHBondContact ND2-O 2.91Å; N202-D247 WeakPolarHBondContact OD1-CB 3.49Å; N202-E250 WeakPolarHBondContact ND2-CB 3.42Å
203Y70.5Confident68Low64 Ų6462.4 Ų62.425%0.25130%0.303SS..THydrogen-bonded Turntrans-69.2-11.8-168.4-64.1-78.3000113.2S124 E201 P207 K227S124-Y203 PolarHBondContact O-OH 2.92Å; E201-Y203 PolarHBondContact O-N 2.74Å; Y203-P207 WeakPolarHBondContact O-CD 3.35Å; Y203-P207 WeakPolarHBondContact O-CG 3.43Å; Y203-K227 HydrophobicContact CD1-CD 4.36Å; Y203-K227 HydrophobicContact CE1-CD 4.23Å
204L72.2Confident66.6Low0 Ų069 Ų690%033%0.333CS..THydrogen-bonded Turntrans-89.6-21.5179.9-61.8176.8000113.3N202 K206 P207 L208 I224 Y228 F244 D247 L248N202-L204 PolarHBondContact O-N 3.18Å; N202-L204 VanDerWaalsContact O-N 3.08Å; N202-L204 WeakPolarHBondContact OD1-CB 3.33Å; N202-L204 PolarHBondContact OD1-N 3.36Å; L204-K206 PolarHBondContact O-N 2.98Å; L204-P207 VanDerWaalsContact O-CD 3.29Å; L204-P207 WeakPolarHBondContact O-CD 3.43Å; L204-L208 HydrophobicContact CB-CD1 3.77Å; L204-L208 HydrophobicContact CB-CG 4.3Å; L204-L208 VanDerWaalsContact O-CB 3.23Å; L204-L208 WeakPolarHBondContact O-CB 3.12Å; L204-L208 WeakPolarHBondContact O-CD1 3.4Å; L204-L208 WeakPolarHBondContact O-CG 3.46Å; L204-L208 PolarHBondContact O-N 2.6Å; L204-I224 HydrophobicContact CD2-CD1 4.16Å; L204-I224 HydrophobicContact CD2-CG1 4.32Å; L204-I224 HydrophobicContact CD2-CG2 3.56Å; L204-Y228 HydrophobicContact CD2-CE2 4.13Å; L204-Y228 HydrophobicContact CG-CE2 4.34Å; L204-Y228 WeakPolarHBondContact CG-OH 3.48Å; L204-F244 HydrophobicContact CD1-CD2 4.02Å; L204-F244 HydrophobicContact CD1-CE2 3.88Å; L204-F244 HydrophobicContact CD2-CD2 4.46Å; L204-F244 HydrophobicContact CD2-CE2 4.06Å; L204-D247 HydrophobicContact CD1-CB 3.8Å; L204-D247 HydrophobicContact CG-CB 4.21Å; L204-L248 HydrophobicContact CD1-CB 3.91Å; L204-L248 HydrophobicContact CD1-CD1 4Å
205I69Low65.4Low78 Ų7872.6 Ų72.640%0.436%0.356SS..Hα-helixtrans-56.8-54.1-178.9-65179.9000110.6N202 L208 F209 A251N202-I205 HydrophobicContact CB-CD1 3.79Å; N202-I205 HydrophobicContact CB-CG1 3.91Å; N202-I205 PolarHBondContact O-N 2.99Å; I205-L208 PolarHBondContact O-N 3.44Å; I205-F209 HydrophobicContact CB-CD2 4.37Å; I205-F209 HydrophobicContact CG2-CD2 3.79Å; I205-F209 HydrophobicContact CG2-CE2 4.33Å; I205-F209 WeakPolarHBondContact O-CB 3.48Å; I205-F209 VanDerWaalsContact O-CD2 3.23Å; I205-F209 WeakPolarHBondContact O-CD2 3.4Å; I205-F209 PolarHBondContact O-N 3.28Å; I205-A251 HydrophobicContact CG1-CB 4.4Å
206K70.6Confident64.8Low110 Ų11070 Ų7048%0.47835%0.347SS..Hα-helixtrans-59-51.5-178.2-75.9171.6-176158.20112.5E201 L204 L208 N210E201-K206 VanDerWaalsContact OE1-CE 3.31Å; E201-K206 WeakPolarHBondContact OE1-CE 3.19Å; E201-K206 IonicContact OE1-NZ 2.86Å; E201-K206 PolarHBondContact OE1-NZ 3.23Å; E201-K206 IonicContact OE2-NZ 2.68Å; E201-K206 PolarHBondContact OE2-NZ 3.06Å; L204-K206 PolarHBondContact O-N 2.98Å; K206-L208 PolarHBondContact O-N 3.22Å; K206-N210 VanDerWaalsContact O-CB 3.25Å; K206-N210 WeakPolarHBondContact O-CB 3.48Å; K206-N210 PolarHBondContact O-N 3.04Å; K206-N210 VanDerWaalsContact O-N 3.08Å
207P67.2Low64.7Low9 Ų972.3 Ų72.36%0.05836%0.359CS..Hα-helixtrans-60.5-40.1176.6-22.529.5000114.8Y203 L204 L216 T220 I224Y203-P207 WeakPolarHBondContact O-CD 3.35Å; Y203-P207 WeakPolarHBondContact O-CG 3.43Å; L204-P207 VanDerWaalsContact O-CD 3.29Å; L204-P207 WeakPolarHBondContact O-CD 3.43Å; P207-L216 HydrophobicContact CB-CD2 3.97Å; P207-T220 HydrophobicContact CB-CG2 4.15Å; P207-I224 HydrophobicContact CB-CD1 3.79Å; P207-I224 HydrophobicContact CG-CD1 3.86Å; P207-I224 HydrophobicContact CG-CG1 4.13Å
208L69.1Low64.9Low13 Ų1377.1 Ų77.17%0.06839%0.385CS..Hα-helixtrans-73.1-39.1-175.8-69.7172.9000112.3L204 I205 K206 L248 A251 I289 I293L204-L208 HydrophobicContact CB-CD1 3.77Å; L204-L208 HydrophobicContact CB-CG 4.3Å; L204-L208 VanDerWaalsContact O-CB 3.23Å; L204-L208 WeakPolarHBondContact O-CB 3.12Å; L204-L208 WeakPolarHBondContact O-CD1 3.4Å; L204-L208 WeakPolarHBondContact O-CG 3.46Å; L204-L208 PolarHBondContact O-N 2.6Å; I205-L208 PolarHBondContact O-N 3.44Å; K206-L208 PolarHBondContact O-N 3.22Å; L208-L248 HydrophobicContact CD1-CD1 4.33Å; L208-A251 HydrophobicContact CD1-CB 3.54Å; L208-I289 HydrophobicContact CD2-CG2 3.65Å; L208-I293 HydrophobicContact CD2-CD1 3.96Å; L208-I293 HydrophobicContact CD2-CG1 3.47Å; L208-I293 VanDerWaalsContact CD2-CG1 3.47Å
209F67.9Low65.7Low101 Ų10181.4 Ų81.444%0.44340%0.399SS..Hα-helixtrans-98.5-19.7-172.4-67.7-73.7000115.1I205 A251I205-F209 HydrophobicContact CB-CD2 4.37Å; I205-F209 HydrophobicContact CG2-CD2 3.79Å; I205-F209 HydrophobicContact CG2-CE2 4.33Å; I205-F209 WeakPolarHBondContact O-CB 3.48Å; I205-F209 VanDerWaalsContact O-CD2 3.23Å; I205-F209 WeakPolarHBondContact O-CD2 3.4Å; I205-F209 PolarHBondContact O-N 3.28Å; F209-A251 HydrophobicContact CE2-CB 4.34Å; F209-A251 WeakPolarHBondContact CE2-O 3.39Å; F209-A251 WeakPolarHBondContact CZ-O 3.42Å
210N64.2Low66.6Low124 Ų12481.5 Ų81.566%0.66340%0.399SS*.Hα-helixtrans-89.4-9176.8-75.3-19.5000114.2K206 N212K206-N210 VanDerWaalsContact O-CB 3.25Å; K206-N210 WeakPolarHBondContact O-CB 3.48Å; K206-N210 PolarHBondContact O-N 3.04Å; K206-N210 VanDerWaalsContact O-N 3.08Å; N210-N212 PolarHBondContact O-N 3.02Å
211N54.8Low67.6Low57 Ų5776 Ų7631%0.30538%0.375SS..  trans-9090.9-179.5-93.1-0.2000111.8N213 L216N211-N213 PolarHBondContact O-N 2.91Å; N211-N213 VanDerWaalsContact O-N 3.14Å; N211-L216 WeakPolarHBondContact ND2-CD2 3.27Å
212N54Low68.5Low151 Ų15172.1 Ų72.181%0.80736%0.358SS*.  trans-64.7-6.6165.3-72.2-16.9000113.4N210N210-N212 PolarHBondContact O-N 3.02Å
213N48.2Very low69.2Low130 Ų13078.6 Ų78.670%0.69538%0.382SS*.SBendtrans-108127.7176.3-74.1-14.5000109.3N211 C215N211-N213 PolarHBondContact O-N 2.91Å; N211-N213 VanDerWaalsContact O-N 3.14Å; N213-C215 PolarHBondContact O-N 3.04Å
214H56Low69.9Low144 Ų14475.8 Ų75.867%0.66737%0.371SS*.SBendtrans-60.526.9-177.1-67.6-79000116.4Q297H214-Q297 PolarHBondContact CE1-OE1 3.49Å; H214-Q297 VanDerWaalsContact CE1-OE1 3.26Å; H214-Q297 PolarHBondContact ND1-OE1 3.03Å
215C56.5Low70.6Confident83 Ų8376.4 Ų76.456%0.56137%0.374SS*.SBendtrans-156.8124.6-179.7173.30000109.4N213N213-C215 PolarHBondContact O-N 3.04Å
216L67.1Low71.4Confident3 Ų381 Ų812%0.01639%0.386CS..  trans-74.8131.5164.7-71.9160.9000108.1P207 N211 T220 I221 I224 I289 I293P207-L216 HydrophobicContact CB-CD2 3.97Å; N211-L216 WeakPolarHBondContact ND2-CD2 3.27Å; L216-T220 HydrophobicContact CD2-CG2 3.55Å; L216-I221 HydrophobicContact CB-CD1 4.25Å; L216-I221 HydrophobicContact CB-CG1 3.89Å; L216-I224 HydrophobicContact CD1-CD1 4.43Å; L216-I289 HydrophobicContact CD1-CB 4.2Å; L216-I289 HydrophobicContact CD1-CD1 4.37Å; L216-I289 HydrophobicContact CD1-CG2 3.25Å; L216-I293 HydrophobicContact CD1-CD1 4.21Å; L216-I293 HydrophobicContact CG-CD1 4.45Å
217D75.9Confident72.2Confident58 Ų5880.5 Ų80.531%0.3138%0.384SS..  trans-67.1152.9173.580.4-9.6000110.7R219 T220 I221D217-R219 PolarHBondContact O-N 3.17Å; D217-R219 IonicContact OD2-CZ 2.77Å; D217-R219 IonicContact OD2-NE 3.88Å; D217-R219 PolarHBondContact OD2-NE 2.71Å; D217-R219 IonicContact OD2-NH2 3.02Å; D217-R219 PolarHBondContact OD2-NH2 3.19Å; D217-T220 WeakPolarHBondContact O-CB 3.3Å; D217-T220 PolarHBondContact O-N 2.78Å; D217-T220 VanDerWaalsContact OD1-CB 3.25Å; D217-T220 WeakPolarHBondContact OD1-CB 3.36Å; D217-T220 PolarHBondContact OD1-N 2.84Å; D217-T220 PolarHBondContact OD1-OG1 3.05Å; D217-I221 PolarHBondContact O-N 3.16Å; D217-I221 VanDerWaalsContact O-N 3.12Å
218D78.3Confident73.3Confident112 Ų11280.2 Ų80.260%0.59938%0.382SS*.Hα-helixtrans-51.7-31.3-179.2-86.6-31.9000112.9D222 R282D218-D222 WeakPolarHBondContact O-CB 3.36Å; D218-D222 PolarHBondContact O-N 3.12Å; D218-R282 PolarHBondContact O-NH2 3.37Å; D218-R282 IonicContact OD1-NH2 3.5Å
219R82.4Confident74.3Confident189 Ų18980 Ų8071%0.71338%0.381SS*.Hα-helixtrans-71.1-37.1178.9-64.7178.5-65.5-171.5-2.3112.3D217 D222 R223D217-R219 PolarHBondContact O-N 3.17Å; D217-R219 IonicContact OD2-CZ 2.77Å; D217-R219 IonicContact OD2-NE 3.88Å; D217-R219 PolarHBondContact OD2-NE 2.71Å; D217-R219 IonicContact OD2-NH2 3.02Å; D217-R219 PolarHBondContact OD2-NH2 3.19Å; R219-D222 WeakPolarHBondContact O-CB 3.18Å; R219-R223 WeakPolarHBondContact O-CB 3.39Å; R219-R223 PolarHBondContact O-N 2.96Å
220T80.8Confident75.3Confident27 Ų2777.9 Ų77.917%0.16638%0.376CS..Hα-helixtrans-69.1-42.4175.9-57.60000110P207 L216 D217 R223 I224P207-T220 HydrophobicContact CB-CG2 4.15Å; L216-T220 HydrophobicContact CD2-CG2 3.55Å; D217-T220 WeakPolarHBondContact O-CB 3.3Å; D217-T220 PolarHBondContact O-N 2.78Å; D217-T220 VanDerWaalsContact OD1-CB 3.25Å; D217-T220 WeakPolarHBondContact OD1-CB 3.36Å; D217-T220 PolarHBondContact OD1-N 2.84Å; D217-T220 PolarHBondContact OD1-OG1 3.05Å; T220-R223 PolarHBondContact O-N 3.29Å; T220-I224 HydrophobicContact CG2-CD1 4.17Å; T220-I224 WeakPolarHBondContact O-CG1 3.42Å; T220-I224 PolarHBondContact O-N 3.32Å
221I81Confident76.5Confident3 Ų376.2 Ų76.22%0.01537%0.367CS..Hα-helixtrans-60.2-46.9174-62.6159.5000110.2L216 D217 R223 I224 F225 R282 N286L216-I221 HydrophobicContact CB-CD1 4.25Å; L216-I221 HydrophobicContact CB-CG1 3.89Å; D217-I221 PolarHBondContact O-N 3.16Å; D217-I221 VanDerWaalsContact O-N 3.12Å; I221-R223 VanDerWaalsContact C-N 3.27Å; I221-R223 PolarHBondContact O-N 2.83Å; I221-I224 PolarHBondContact O-N 3.02Å; I221-F225 WeakPolarHBondContact O-CB 3.44Å; I221-F225 PolarHBondContact O-N 3.27Å; I221-R282 HydrophobicContact CG2-CG 4.29Å; I221-N286 HydrophobicContact CD1-CB 3.92Å; I221-N286 WeakPolarHBondContact CD1-OD1 3.4Å; I221-N286 HydrophobicContact CG2-CB 4.49Å
222D83.5Confident78.1Confident41 Ų4179.3 Ų79.322%0.21938%0.384CS..Hα-helixtrans-56.1-42.2174.9-96.9-41.6000112.9D218 R219 R226 R282D218-D222 WeakPolarHBondContact O-CB 3.36Å; D218-D222 PolarHBondContact O-N 3.12Å; R219-D222 WeakPolarHBondContact O-CB 3.18Å; D222-R226 WeakPolarHBondContact O-CB 3.29Å; D222-R226 VanDerWaalsContact O-CG 3.27Å; D222-R226 WeakPolarHBondContact O-CG 3.48Å; D222-R226 PolarHBondContact O-N 2.92Å; D222-R282 IonicContact OD1-CZ 3.63Å; D222-R282 IonicContact OD1-NE 3.19Å; D222-R282 IonicContact OD1-NH1 2.63Å; D222-R282 PolarHBondContact OD1-NH1 3.46Å; D222-R282 IonicContact OD1-NH2 2.92Å; D222-R282 PolarHBondContact OD1-NH2 3.06Å; D222-R282 IonicContact OD2-CZ 3.15Å; D222-R282 IonicContact OD2-NH1 2.89Å; D222-R282 PolarHBondContact OD2-NH1 2.91Å; D222-R282 IonicContact OD2-NH2 3.93Å; D222-R282 PolarHBondContact OD2-NH2 3.25Å
223R85Confident79.9Confident153 Ų15375.3 Ų75.358%0.57736%0.362SS*.Hα-helixtrans-68.3-39.9180-174.1177.164.5152.40.2111.5R219 T220 I221 K227R219-R223 WeakPolarHBondContact O-CB 3.39Å; R219-R223 PolarHBondContact O-N 2.96Å; T220-R223 PolarHBondContact O-N 3.29Å; I221-R223 VanDerWaalsContact C-N 3.27Å; I221-R223 PolarHBondContact O-N 2.83Å; R223-K227 VanDerWaalsContact O-CG 3.28Å; R223-K227 WeakPolarHBondContact O-CG 3.33Å; R223-K227 PolarHBondContact O-N 3.03Å
224I84.6Confident81.8Confident6 Ų670.9 Ų70.93%0.03135%0.348CS..Hα-helixtrans-64.2-52.2174.7-68.6168.7000109.1L204 P207 L216 T220 I221 R226 K227 Y228 F244 I289L204-I224 HydrophobicContact CD2-CD1 4.16Å; L204-I224 HydrophobicContact CD2-CG1 4.32Å; L204-I224 HydrophobicContact CD2-CG2 3.56Å; P207-I224 HydrophobicContact CB-CD1 3.79Å; P207-I224 HydrophobicContact CG-CD1 3.86Å; P207-I224 HydrophobicContact CG-CG1 4.13Å; L216-I224 HydrophobicContact CD1-CD1 4.43Å; T220-I224 HydrophobicContact CG2-CD1 4.17Å; T220-I224 WeakPolarHBondContact O-CG1 3.42Å; T220-I224 PolarHBondContact O-N 3.32Å; I221-I224 PolarHBondContact O-N 3.02Å; I224-R226 VanDerWaalsContact C-N 3.35Å; I224-R226 PolarHBondContact O-N 3.26Å; I224-K227 WeakPolarHBondContact O-CB 3.18Å; I224-K227 PolarHBondContact O-N 2.83Å; I224-Y228 HydrophobicContact CG2-CD2 4.07Å; I224-Y228 HydrophobicContact CG2-CE2 3.91Å; I224-Y228 VanDerWaalsContact O-CD2 3.26Å; I224-Y228 WeakPolarHBondContact O-CD2 3.13Å; I224-Y228 PolarHBondContact O-N 3.38Å; I224-F244 HydrophobicContact CG2-CE2 4.4Å; I224-I289 HydrophobicContact CD1-CD1 4.03Å; I224-I289 HydrophobicContact CG2-CD1 4.17Å
225F86Confident83.4Confident12 Ų1265.6 Ų65.65%0.05333%0.325CS..Hα-helixtrans-53.5-50.8-178.3-161.6-80.5000111.7I221 K227 Y228 D229 G234 L236 R282 I285I221-F225 WeakPolarHBondContact O-CB 3.44Å; I221-F225 PolarHBondContact O-N 3.27Å; F225-K227 PolarHBondContact O-N 2.95Å; F225-K227 VanDerWaalsContact O-N 3.09Å; F225-Y228 PolarHBondContact O-N 2.77Å; F225-D229 HydrophobicContact CD1-CB 3.73Å; F225-D229 HydrophobicContact CE1-CB 3.58Å; F225-D229 WeakPolarHBondContact CE1-OD2 3.46Å; F225-D229 WeakPolarHBondContact O-CB 3.44Å; F225-D229 PolarHBondContact O-N 3.47Å; F225-G234 VanDerWaalsContact CZ-O 3.31Å; F225-G234 WeakPolarHBondContact CZ-O 3.45Å; F225-L236 HydrophobicContact CE1-CD2 4.4Å; F225-L236 HydrophobicContact CE2-CG 4.16Å; F225-L236 HydrophobicContact CZ-CD2 4.24Å; F225-L236 HydrophobicContact CZ-CG 4.18Å; F225-R282 HydrophobicContact CD2-CB 4.15Å; F225-R282 HydrophobicContact CE2-CB 4.17Å; F225-I285 HydrophobicContact CD2-CB 4.47Å; F225-I285 HydrophobicContact CD2-CD1 3.42Å; F225-I285 VanDerWaalsContact CD2-CD1 3.42Å; F225-I285 HydrophobicContact CD2-CG1 4.09Å; F225-I285 HydrophobicContact CE2-CD1 3.48Å; F225-I285 VanDerWaalsContact CE2-CD1 3.48Å; F225-I285 HydrophobicContact CE2-CG1 4.02Å; F225-I285 HydrophobicContact CG-CD1 4.49Å
226R87.6Confident85Confident174 Ų17461.7 Ų61.766%0.65730%0.299SS*.Hα-helixtrans-62.8-16.8178.3-73.3178-171.5176.74.4115.2D222 I224D222-R226 WeakPolarHBondContact O-CB 3.29Å; D222-R226 VanDerWaalsContact O-CG 3.27Å; D222-R226 WeakPolarHBondContact O-CG 3.48Å; D222-R226 PolarHBondContact O-N 2.92Å; I224-R226 VanDerWaalsContact C-N 3.35Å; I224-R226 PolarHBondContact O-N 3.26Å
227K86.8Confident86Confident101 Ų10163.7 Ų63.744%0.43931%0.308SS..Hα-helixtrans-81.2-28.3176.4-75.3-75-177.2175.90112Y203 R223 I224 F225Y203-K227 HydrophobicContact CD1-CD 4.36Å; Y203-K227 HydrophobicContact CE1-CD 4.23Å; R223-K227 VanDerWaalsContact O-CG 3.28Å; R223-K227 WeakPolarHBondContact O-CG 3.33Å; R223-K227 PolarHBondContact O-N 3.03Å; I224-K227 WeakPolarHBondContact O-CB 3.18Å; I224-K227 PolarHBondContact O-N 2.83Å; F225-K227 PolarHBondContact O-N 2.95Å; F225-K227 VanDerWaalsContact O-N 3.09Å
228Y89.4Confident86.6Confident2 Ų264.5 Ų64.51%0.00831%0.313CS..Hα-helixtrans-99.8-34.4-180-64.1-78.1000112.7V127 L204 I224 F225 T230 E240 F244 D247V127-Y228 HydrophobicContact CG2-CD1 3.84Å; L204-Y228 HydrophobicContact CD2-CE2 4.13Å; L204-Y228 HydrophobicContact CG-CE2 4.34Å; L204-Y228 WeakPolarHBondContact CG-OH 3.48Å; I224-Y228 HydrophobicContact CG2-CD2 4.07Å; I224-Y228 HydrophobicContact CG2-CE2 3.91Å; I224-Y228 VanDerWaalsContact O-CD2 3.26Å; I224-Y228 WeakPolarHBondContact O-CD2 3.13Å; I224-Y228 PolarHBondContact O-N 3.38Å; F225-Y228 PolarHBondContact O-N 2.77Å; Y228-T230 VanDerWaalsContact C-N 3.28Å; Y228-T230 PolarHBondContact O-N 3.35Å; Y228-E240 WeakPolarHBondContact O-CB 3.4Å; Y228-E240 VanDerWaalsContact O-CG 3.31Å; Y228-E240 WeakPolarHBondContact O-CG 3.28Å; Y228-F244 HydrophobicContact CD1-CB 3.88Å; Y228-F244 HydrophobicContact CD2-CB 4.42Å; Y228-F244 AromaticContact CD2-CD2 3.92Å; Y228-F244 HydrophobicContact CD2-CD2 3.92Å; Y228-F244 HydrophobicContact CE1-CB 4.21Å; Y228-F244 AromaticContact CE2-CD2 3.9Å; Y228-F244 HydrophobicContact CE2-CD2 3.9Å; Y228-F244 HydrophobicContact CG-CB 4.02Å; Y228-F244 HydrophobicContact CG-CD2 4.36Å; Y228-D247 HydrophobicContact CE1-CB 4.48Å; Y228-D247 WeakPolarHBondContact CE1-OD2 3.47Å; Y228-D247 WeakPolarHBondContact OH-CB 3.4Å; Y228-D247 PolarHBondContact OH-OD2 3.02Å
229D91Very high87.1Confident9 Ų961.3 Ų61.35%0.04829%0.294CS..  trans-73.881.4173.3-179.68.9000109.3F225 D231 N232 N233 G234 L236F225-D229 HydrophobicContact CD1-CB 3.73Å; F225-D229 HydrophobicContact CE1-CB 3.58Å; F225-D229 WeakPolarHBondContact CE1-OD2 3.46Å; F225-D229 WeakPolarHBondContact O-CB 3.44Å; F225-D229 PolarHBondContact O-N 3.47Å; D229-D231 VanDerWaalsContact OD1-OD1 3.13Å; D229-N232 WeakPolarHBondContact OD1-CA 3.42Å; D229-N232 PolarHBondContact OD1-N 2.92Å; D229-N232 WeakPolarHBondContact OD2-CA 3.39Å; D229-N233 PolarHBondContact OD1-N 3.46Å; D229-N233 VanDerWaalsContact OD1-N 3.11Å; D229-G234 WeakPolarHBondContact OD2-CA 3.34Å; D229-G234 PolarHBondContact OD2-N 3.44Å; D229-L236 HydrophobicContact CB-CD2 3.74Å; D229-L236 VanDerWaalsContact N-CD2 3.31Å
230T87.6Confident87.5Confident57 Ų5752.8 Ų52.835%0.3526%0.262SS..SBendtrans-77.1-29.6-174.757.10000112.2V127 Y228 N232 E240V127-T230 HydrophobicContact CB-CG2 4.14Å; V127-T230 HydrophobicContact CG1-CG2 3.89Å; V127-T230 HydrophobicContact CG2-CG2 4.35Å; Y228-T230 VanDerWaalsContact C-N 3.28Å; Y228-T230 PolarHBondContact O-N 3.35Å; T230-N232 PolarHBondContact O-ND2 2.85Å; T230-E240 WeakPolarHBondContact CA-OE1 3.26Å; T230-E240 PolarHBondContact N-OE1 2.96Å; T230-E240 PolarHBondContact OG1-OE1 2.89Å
231D90.2Very high87.9Confident88 Ų8851.5 Ų51.547%0.47125%0.254SS..SBendtrans-88.9-8.2177.878.51.3000113.6D229 N233 E240D229-D231 VanDerWaalsContact OD1-OD1 3.13Å; D231-N233 VanDerWaalsContact C-N 3.28Å; D231-N233 VanDerWaalsContact CG-ND2 3.26Å; D231-N233 PolarHBondContact O-N 3.04Å; D231-N233 WeakPolarHBondContact OD1-CB 3.31Å; D231-N233 PolarHBondContact OD1-N 3.15Å; D231-N233 PolarHBondContact OD1-ND2 3.14Å; D231-N233 PolarHBondContact OD1-OD1 3.36Å; D231-N233 PolarHBondContact OD2-ND2 3.4Å; D231-E240 PolarHBondContact N-OE1 3.26Å; D231-E240 VanDerWaalsContact N-OE1 3.16Å
232N89.4Confident88.2Confident123 Ų12352.2 Ų52.266%0.65826%0.258SS*.  trans60.732.1-179.6-57.3-93000113.2D229 T230 G234D229-N232 WeakPolarHBondContact OD1-CA 3.42Å; D229-N232 PolarHBondContact OD1-N 2.92Å; D229-N232 WeakPolarHBondContact OD2-CA 3.39Å; T230-N232 PolarHBondContact O-ND2 2.85Å; N232-G234 VanDerWaalsContact C-N 3.28Å
233N90.4Very high88.5Confident66 Ų6650.3 Ų50.335%0.35325%0.247SC..SBendtrans-81.8-8.1177.87423.6000112.7D229 D231 V235 E237D229-N233 PolarHBondContact OD1-N 3.46Å; D229-N233 VanDerWaalsContact OD1-N 3.11Å; D231-N233 VanDerWaalsContact C-N 3.28Å; D231-N233 VanDerWaalsContact CG-ND2 3.26Å; D231-N233 PolarHBondContact O-N 3.04Å; D231-N233 WeakPolarHBondContact OD1-CB 3.31Å; D231-N233 PolarHBondContact OD1-N 3.15Å; D231-N233 PolarHBondContact OD1-ND2 3.14Å; D231-N233 PolarHBondContact OD1-OD1 3.36Å; D231-N233 PolarHBondContact OD2-ND2 3.4Å; N233-V235 WeakPolarHBondContact OD1-CG2 3.49Å; N233-V235 PolarHBondContact OD1-N 2.82Å; N233-V235 PolarHBondContact OD1-O 3.15Å; N233-E237 PolarHBondContact ND2-OE1 2.82Å
234G87.8Confident88.7Confident38 Ų3843 Ų4339%0.39222%0.22SC..SBendtrans84.67.7177.400000115.3F225 D229 N232F225-G234 VanDerWaalsContact CZ-O 3.31Å; F225-G234 WeakPolarHBondContact CZ-O 3.45Å; D229-G234 WeakPolarHBondContact OD2-CA 3.34Å; D229-G234 PolarHBondContact OD2-N 3.44Å; N232-G234 VanDerWaalsContact C-N 3.28Å
235V89.9Confident88.9Confident33 Ų3342.7 Ų42.720%0.222%0.219CC..EExtended strand (participates in β ladder)trans-134.2152.6173.3-62.80000109.9N233 K279 I280N233-V235 WeakPolarHBondContact OD1-CG2 3.49Å; N233-V235 PolarHBondContact OD1-N 2.82Å; N233-V235 PolarHBondContact OD1-O 3.15Å; V235-K279 HydrophobicContact CB-CB 3.95Å; V235-K279 HydrophobicContact CG1-CB 4.34Å; V235-K279 HydrophobicContact CG2-CB 4Å; V235-K279 HydrophobicContact CG2-CD 3.98Å; V235-K279 HydrophobicContact CG2-CG 3.99Å; V235-I280 CarbonylContact C-O 3.59Å; V235-I280 WeakPolarHBondContact CA-O 3.47Å
236L89.9Confident89Confident0 Ų042.3 Ų42.30%022%0.217CC..EExtended strand (participates in β ladder)trans-97.1127168.3-60-167.6000109.9F225 D229 E240 L241 F244 I280 I285F225-L236 HydrophobicContact CE1-CD2 4.4Å; F225-L236 HydrophobicContact CE2-CG 4.16Å; F225-L236 HydrophobicContact CZ-CD2 4.24Å; F225-L236 HydrophobicContact CZ-CG 4.18Å; D229-L236 HydrophobicContact CB-CD2 3.74Å; D229-L236 VanDerWaalsContact N-CD2 3.31Å; L236-E240 HydrophobicContact CB-CB 4.42Å; L236-E240 HydrophobicContact CD2-CB 4.13Å; L236-L241 HydrophobicContact CB-CB 4.33Å; L236-F244 HydrophobicContact CD1-CB 3.96Å; L236-F244 HydrophobicContact CD1-CG 4.16Å; L236-I280 PolarHBondContact N-O 2.8Å; L236-I280 PolarHBondContact O-N 3.47Å; L236-I285 HydrophobicContact CD1-CD1 3.19Å; L236-I285 HydrophobicContact CD1-CG1 4.47Å; L236-I285 HydrophobicContact CG-CD1 3.68Å
237E89.3Confident88.9Confident46 Ų4634 Ų3422%0.21519%0.186CC..  trans-139.1162.9174.465.5-176.9150.900112.5N233 E239 E240 L241 K279N233-E237 PolarHBondContact ND2-OE1 2.82Å; E237-E239 PolarHBondContact O-N 3.07Å; E237-E239 VanDerWaalsContact O-N 3.16Å; E237-E240 VanDerWaalsContact O-CB 3.31Å; E237-E240 WeakPolarHBondContact O-CB 3.19Å; E237-E240 PolarHBondContact O-N 2.94Å; E237-L241 PolarHBondContact O-N 3.4Å; E237-K279 HydrophobicContact CB-CG 4.02Å; E237-K279 IonicContact OE1-NZ 2.77Å; E237-K279 PolarHBondContact OE1-NZ 3.34Å; E237-K279 WeakPolarHBondContact OE2-CE 3.4Å; E237-K279 IonicContact OE2-NZ 2.82Å; E237-K279 PolarHBondContact OE2-NZ 3.5Å
238N87.4Confident88.8Confident75 Ų7529.3 Ų29.340%0.40117%0.165SC..Hα-helixtrans48.1-119.6173.3-55.4-51.6000113.3E240 L241 M242N238-E240 VanDerWaalsContact C-N 3.27Å; N238-E240 PolarHBondContact O-N 3.32Å; N238-L241 PolarHBondContact O-N 3.32Å; N238-M242 WeakPolarHBondContact O-CG 3.46Å; N238-M242 PolarHBondContact O-N 2.76Å
239E88.6Confident88.4Confident45 Ų4530 Ų3021%0.2117%0.169CC..Hα-helixtrans-65.2-28.4-178-62.971.1-154.300112.7V127 M130 R131 K134 E237 G243V127-E239 HydrophobicContact CG1-CB 4.46Å; M130-E239 HydrophobicContact CB-CB 4.28Å; R131-E239 HydrophobicContact CB-CG 4.28Å; K134-E239 WeakPolarHBondContact CD-OE1 3.49Å; K134-E239 WeakPolarHBondContact CE-OE1 3.47Å; K134-E239 IonicContact NZ-OE1 3.38Å; K134-E239 PolarHBondContact NZ-OE1 3.43Å; E237-E239 PolarHBondContact O-N 3.07Å; E237-E239 VanDerWaalsContact O-N 3.16Å; E239-G243 PolarHBondContact O-N 3.39Å
240E91Very high87.9Confident10 Ų1032.5 Ų32.55%0.04718%0.18CC..Hα-helixtrans-69.4-46.4177.3-57.9180140.600110.7V127 Y228 T230 D231 L236 E237 N238 G243 F244V127-E240 HydrophobicContact CG1-CB 4.45Å; V127-E240 HydrophobicContact CG1-CG 3.89Å; Y228-E240 WeakPolarHBondContact O-CB 3.4Å; Y228-E240 VanDerWaalsContact O-CG 3.31Å; Y228-E240 WeakPolarHBondContact O-CG 3.28Å; T230-E240 WeakPolarHBondContact CA-OE1 3.26Å; T230-E240 PolarHBondContact N-OE1 2.96Å; T230-E240 PolarHBondContact OG1-OE1 2.89Å; D231-E240 PolarHBondContact N-OE1 3.26Å; D231-E240 VanDerWaalsContact N-OE1 3.16Å; L236-E240 HydrophobicContact CB-CB 4.42Å; L236-E240 HydrophobicContact CD2-CB 4.13Å; E237-E240 VanDerWaalsContact O-CB 3.31Å; E237-E240 WeakPolarHBondContact O-CB 3.19Å; E237-E240 PolarHBondContact O-N 2.94Å; N238-E240 VanDerWaalsContact C-N 3.27Å; N238-E240 PolarHBondContact O-N 3.32Å; E240-G243 PolarHBondContact O-N 3.16Å; E240-F244 PolarHBondContact O-N 2.94Å
241L89.1Confident87.5Confident0 Ų030.1 Ų30.10%017%0.166CC..Hα-helixtrans-64.8-44.2174.2-178.957.5000110.9L236 E237 N238 G243 F244 L245 K265 L269 I280L236-L241 HydrophobicContact CB-CB 4.33Å; E237-L241 PolarHBondContact O-N 3.4Å; N238-L241 PolarHBondContact O-N 3.32Å; L241-G243 VanDerWaalsContact C-N 3.34Å; L241-G243 PolarHBondContact O-N 3.26Å; L241-F244 HydrophobicContact CD1-CD1 4.39Å; L241-F244 WeakPolarHBondContact O-CB 3.4Å; L241-F244 PolarHBondContact O-N 3.47Å; L241-L245 HydrophobicContact CD1-CD1 4.25Å; L241-L245 HydrophobicContact CD1-CD2 4.4Å; L241-L245 HydrophobicContact CD1-CG 4.1Å; L241-L245 HydrophobicContact CG-CD1 4.16Å; L241-L245 HydrophobicContact CG-CG 4.39Å; L241-L245 VanDerWaalsContact O-CG 3.29Å; L241-L245 WeakPolarHBondContact O-CG 3.31Å; L241-L245 PolarHBondContact O-N 2.98Å; L241-K265 HydrophobicContact CD2-CD 4.38Å; L241-K265 HydrophobicContact CD2-CG 3.97Å; L241-L269 HydrophobicContact CD2-CD2 4.33Å; L241-I280 HydrophobicContact CD1-CB 4.35Å; L241-I280 HydrophobicContact CD1-CG1 3.98Å; L241-I280 HydrophobicContact CD2-CG1 4.1Å
242M88.6Confident86.6Confident18 Ų1827.4 Ų27.49%0.08915%0.152CC..Hα-helixtrans-62.7-41.1178.2-67-71.7-76.900111.9M130 N238 F244 L245 K246 L261 K265M130-M242 HydrophobicContact CB-CB 4.4Å; M130-M242 HydrophobicContact CE-CB 3.97Å; M130-M242 HydrophobicContact CE-CE 3.95Å; M130-M242 HydrophobicContact CG-CB 3.93Å; N238-M242 WeakPolarHBondContact O-CG 3.46Å; N238-M242 PolarHBondContact O-N 2.76Å; M242-F244 VanDerWaalsContact C-N 3.34Å; M242-F244 PolarHBondContact O-N 2.99Å; M242-L245 PolarHBondContact O-N 3.07Å; M242-K246 WeakPolarHBondContact O-CB 3.47Å; M242-K246 PolarHBondContact O-N 3.3Å; M242-L261 HydrophobicContact CE-CB 3.77Å; M242-L261 HydrophobicContact CE-CD1 4.34Å; M242-L261 HydrophobicContact CE-CD2 4.07Å; M242-L261 HydrophobicContact CE-CG 4.31Å; M242-L261 HydrophobicContact SD-CB 4.41Å; M242-L261 HydrophobicContact SD-CD2 4.01Å; M242-K265 HydrophobicContact SD-CD 3.98Å
243G88.5Confident85.8Confident0 Ų024.9 Ų24.90%016%0.155CC..Hα-helixtrans-62.7-40.3175.700000112.3E239 E240 L241 D247E239-G243 PolarHBondContact O-N 3.39Å; E240-G243 PolarHBondContact O-N 3.16Å; L241-G243 VanDerWaalsContact C-N 3.34Å; L241-G243 PolarHBondContact O-N 3.26Å; G243-D247 PolarHBondContact O-N 3.44Å
244F89.4Confident85Confident0 Ų025.9 Ų25.90%016%0.157CC..Hα-helixtrans-63.2-47.2173.6172-101.5000112.2L204 I224 Y228 L236 E240 L241 M242 D247 L248 I285 L288 I289L204-F244 HydrophobicContact CD1-CD2 4.02Å; L204-F244 HydrophobicContact CD1-CE2 3.88Å; L204-F244 HydrophobicContact CD2-CD2 4.46Å; L204-F244 HydrophobicContact CD2-CE2 4.06Å; I224-F244 HydrophobicContact CG2-CE2 4.4Å; Y228-F244 HydrophobicContact CD1-CB 3.88Å; Y228-F244 HydrophobicContact CD2-CB 4.42Å; Y228-F244 AromaticContact CD2-CD2 3.92Å; Y228-F244 HydrophobicContact CD2-CD2 3.92Å; Y228-F244 HydrophobicContact CE1-CB 4.21Å; Y228-F244 AromaticContact CE2-CD2 3.9Å; Y228-F244 HydrophobicContact CE2-CD2 3.9Å; Y228-F244 HydrophobicContact CG-CB 4.02Å; Y228-F244 HydrophobicContact CG-CD2 4.36Å; L236-F244 HydrophobicContact CD1-CB 3.96Å; L236-F244 HydrophobicContact CD1-CG 4.16Å; E240-F244 PolarHBondContact O-N 2.94Å; L241-F244 HydrophobicContact CD1-CD1 4.39Å; L241-F244 WeakPolarHBondContact O-CB 3.4Å; L241-F244 PolarHBondContact O-N 3.47Å; M242-F244 VanDerWaalsContact C-N 3.34Å; M242-F244 PolarHBondContact O-N 2.99Å; F244-D247 PolarHBondContact O-N 2.83Å; F244-L248 HydrophobicContact CE1-CD2 4.01Å; F244-L248 HydrophobicContact CZ-CD2 4.22Å; F244-L248 WeakPolarHBondContact O-CB 3.33Å; F244-L248 PolarHBondContact O-N 3.36Å; F244-I285 HydrophobicContact CE2-CG2 4.21Å; F244-I285 HydrophobicContact CZ-CG2 4.12Å; F244-L288 HydrophobicContact CE1-CD2 4.46Å; F244-I289 HydrophobicContact CE2-CD1 4.16Å; F244-I289 HydrophobicContact CE2-CG1 4.17Å; F244-I289 HydrophobicContact CZ-CD1 4.29Å; F244-I289 HydrophobicContact CZ-CG1 3.84Å
245L88.3Confident84.4Confident0 Ų030 Ų300%017%0.166CC..Hα-helixtrans-67.5-37-179.4-65.1-178.1000112.8L241 M242 L248 L249 L261 M264 K265 I268L241-L245 HydrophobicContact CD1-CD1 4.25Å; L241-L245 HydrophobicContact CD1-CD2 4.4Å; L241-L245 HydrophobicContact CD1-CG 4.1Å; L241-L245 HydrophobicContact CG-CD1 4.16Å; L241-L245 HydrophobicContact CG-CG 4.39Å; L241-L245 VanDerWaalsContact O-CG 3.29Å; L241-L245 WeakPolarHBondContact O-CG 3.31Å; L241-L245 PolarHBondContact O-N 2.98Å; M242-L245 PolarHBondContact O-N 3.07Å; L245-L248 HydrophobicContact CD2-CD2 4.36Å; L245-L248 PolarHBondContact O-N 3.47Å; L245-L249 WeakPolarHBondContact O-CB 3.29Å; L245-L249 WeakPolarHBondContact O-CG 3.42Å; L245-L249 PolarHBondContact O-N 3.23Å; L245-L261 HydrophobicContact CB-CD2 3.48Å; L245-L261 VanDerWaalsContact CB-CD2 3.48Å; L245-L261 HydrophobicContact CD1-CD2 4.49Å; L245-M264 HydrophobicContact CB-SD 4.33Å; L245-M264 HydrophobicContact CD2-CE 4.27Å; L245-M264 HydrophobicContact CD2-SD 4.15Å; L245-K265 HydrophobicContact CD1-CB 3.79Å; L245-K265 HydrophobicContact CD1-CG 4.45Å; L245-I268 HydrophobicContact CD1-CD1 4.1Å; L245-I268 HydrophobicContact CD2-CD1 3.19Å; L245-I268 HydrophobicContact CG-CD1 4.28Å
246K88Confident83.9Confident4 Ų428.4 Ų28.42%0.01716%0.157CC..Hα-helixtrans-56.1-53.3172.9175-167.7171.1-66.90109.8F129 M130 L190 M242 L248 L249 E250 V256 L261F129-K246 HydrophobicContact CD1-CD 4.11Å; F129-K246 HydrophobicContact CE1-CD 4.37Å; M130-K246 HydrophobicContact SD-CD 4.34Å; L190-K246 HydrophobicContact CD2-CD 3.76Å; L190-K246 HydrophobicContact CD2-CG 4Å; M242-K246 WeakPolarHBondContact O-CB 3.47Å; M242-K246 PolarHBondContact O-N 3.3Å; K246-L248 VanDerWaalsContact C-N 3.27Å; K246-L248 PolarHBondContact O-N 2.92Å; K246-L249 PolarHBondContact O-N 2.97Å; K246-E250 VanDerWaalsContact CE-OE1 3.24Å; K246-E250 WeakPolarHBondContact CE-OE1 3.41Å; K246-E250 IonicContact NZ-OE1 3.6Å; K246-E250 PolarHBondContact NZ-OE1 2.95Å; K246-E250 IonicContact NZ-OE2 3.56Å; K246-E250 PolarHBondContact NZ-OE2 3.48Å; K246-E250 WeakPolarHBondContact O-CB 3.34Å; K246-E250 WeakPolarHBondContact O-CG 3.42Å; K246-E250 PolarHBondContact O-N 2.84Å; K246-V256 HydrophobicContact CG-CG1 4.24Å; K246-L261 HydrophobicContact CB-CD1 4.26Å
247D86.4Confident83.8Confident0 Ų031.6 Ų31.60%017%0.174CC..Hα-helixtrans-63.9-35.7-179.7-77.11.6000111.7S126 N202 L204 Y228 G243 F244 A251S126-D247 VanDerWaalsContact CB-OD1 3.25Å; S126-D247 WeakPolarHBondContact CB-OD1 3.44Å; S126-D247 VanDerWaalsContact OG-CG 3.24Å; S126-D247 PolarHBondContact OG-OD1 2.83Å; S126-D247 PolarHBondContact OG-OD2 3.2Å; N202-D247 WeakPolarHBondContact ND2-CA 3.39Å; N202-D247 PolarHBondContact ND2-O 2.91Å; N202-D247 WeakPolarHBondContact OD1-CB 3.49Å; L204-D247 HydrophobicContact CD1-CB 3.8Å; L204-D247 HydrophobicContact CG-CB 4.21Å; Y228-D247 HydrophobicContact CE1-CB 4.48Å; Y228-D247 WeakPolarHBondContact CE1-OD2 3.47Å; Y228-D247 WeakPolarHBondContact OH-CB 3.4Å; Y228-D247 PolarHBondContact OH-OD2 3.02Å; G243-D247 PolarHBondContact O-N 3.44Å; F244-D247 PolarHBondContact O-N 2.83Å; D247-A251 VanDerWaalsContact O-CB 3.29Å; D247-A251 WeakPolarHBondContact O-CB 3.34Å; D247-A251 PolarHBondContact O-N 3.03Å
248L83.9Confident83.6Confident1 Ų130.2 Ų30.21%0.00517%0.168CC..Hα-helixtrans-67.3-41.2179-169.168.1000111.9L204 L208 F244 L245 K246 N252 M264 L288 T292L204-L248 HydrophobicContact CD1-CB 3.91Å; L204-L248 HydrophobicContact CD1-CD1 4Å; L208-L248 HydrophobicContact CD1-CD1 4.33Å; F244-L248 HydrophobicContact CE1-CD2 4.01Å; F244-L248 HydrophobicContact CZ-CD2 4.22Å; F244-L248 WeakPolarHBondContact O-CB 3.33Å; F244-L248 PolarHBondContact O-N 3.36Å; L245-L248 HydrophobicContact CD2-CD2 4.36Å; L245-L248 PolarHBondContact O-N 3.47Å; K246-L248 VanDerWaalsContact C-N 3.27Å; K246-L248 PolarHBondContact O-N 2.92Å; L248-N252 PolarHBondContact O-N 2.95Å; L248-M264 HydrophobicContact CD2-CE 3.83Å; L248-M264 HydrophobicContact CG-CE 4.5Å; L248-L288 HydrophobicContact CD2-CD2 3.62Å; L248-T292 HydrophobicContact CD1-CG2 3.69Å; L248-T292 HydrophobicContact CG-CG2 4.02Å
249L82.2Confident83.6Confident18 Ų1832.2 Ų32.29%0.09418%0.175CC..Hα-helixtrans-69.6-44.4176.1-74.6172.2000112.2L245 K246 A251 N252 G253 E254 V256 L261 M264L245-L249 WeakPolarHBondContact O-CB 3.29Å; L245-L249 WeakPolarHBondContact O-CG 3.42Å; L245-L249 PolarHBondContact O-N 3.23Å; K246-L249 PolarHBondContact O-N 2.97Å; L249-A251 VanDerWaalsContact C-N 3.27Å; L249-A251 PolarHBondContact O-N 3.25Å; L249-N252 CarbonylContact O-C 3.53Å; L249-N252 WeakPolarHBondContact O-CA 3.49Å; L249-N252 WeakPolarHBondContact O-CB 3.47Å; L249-N252 PolarHBondContact O-N 3.4Å; L249-G253 PolarHBondContact O-N 3.31Å; L249-E254 PolarHBondContact O-N 3.45Å; L249-V256 HydrophobicContact CB-CG2 3.59Å; L249-V256 HydrophobicContact CD1-CG1 4.41Å; L249-V256 HydrophobicContact CD1-CG2 4.31Å; L249-L261 HydrophobicContact CD1-CG 4.32Å; L249-M264 HydrophobicContact CD1-SD 3.74Å; L249-M264 HydrophobicContact CD2-CE 4.11Å; L249-M264 HydrophobicContact CD2-SD 3.58Å; L249-M264 VanDerWaalsContact CD2-SD 3.58Å; L249-M264 HydrophobicContact CG-CE 4.33Å; L249-M264 HydrophobicContact CG-SD 3.52Å; L249-M264 VanDerWaalsContact CG-SD 3.52Å
250E80.2Confident83.4Confident61 Ų6131.5 Ų31.529%0.28518%0.179SC..Hα-helixtrans-59.2-40.8175-80.5175.6-173.800111.3N202 K246 N252 G253 V256N202-E250 WeakPolarHBondContact ND2-CB 3.42Å; K246-E250 VanDerWaalsContact CE-OE1 3.24Å; K246-E250 WeakPolarHBondContact CE-OE1 3.41Å; K246-E250 IonicContact NZ-OE1 3.6Å; K246-E250 PolarHBondContact NZ-OE1 2.95Å; K246-E250 IonicContact NZ-OE2 3.56Å; K246-E250 PolarHBondContact NZ-OE2 3.48Å; K246-E250 WeakPolarHBondContact O-CB 3.34Å; K246-E250 WeakPolarHBondContact O-CG 3.42Å; K246-E250 PolarHBondContact O-N 2.84Å; E250-N252 PolarHBondContact O-N 2.84Å; E250-G253 PolarHBondContact O-N 2.99Å; E250-V256 HydrophobicContact CG-CG2 3.73Å
251A78.2Confident83.1Confident7 Ų731 Ų316%0.05818%0.177CC..Hα-helixtrans-64.2-24.3175.400000112.5I205 L208 F209 D247 L249 G253I205-A251 HydrophobicContact CG1-CB 4.4Å; L208-A251 HydrophobicContact CD1-CB 3.54Å; F209-A251 HydrophobicContact CE2-CB 4.34Å; F209-A251 WeakPolarHBondContact CE2-O 3.39Å; F209-A251 WeakPolarHBondContact CZ-O 3.42Å; D247-A251 VanDerWaalsContact O-CB 3.29Å; D247-A251 WeakPolarHBondContact O-CB 3.34Å; D247-A251 PolarHBondContact O-N 3.03Å; L249-A251 VanDerWaalsContact C-N 3.27Å; L249-A251 PolarHBondContact O-N 3.25Å; A251-G253 VanDerWaalsContact C-N 3.28Å
252N72.6Confident83Confident30 Ų3034.2 Ų34.216%0.1619%0.191CC..THydrogen-bonded Turntrans-86.62174-179.329.5000113.3L248 L249 E250 E254 L296 K299L248-N252 PolarHBondContact O-N 2.95Å; L249-N252 CarbonylContact O-C 3.53Å; L249-N252 WeakPolarHBondContact O-CA 3.49Å; L249-N252 WeakPolarHBondContact O-CB 3.47Å; L249-N252 PolarHBondContact O-N 3.4Å; E250-N252 PolarHBondContact O-N 2.84Å; N252-E254 PolarHBondContact ND2-OE1 3.32Å; N252-E254 PolarHBondContact O-N 3.5Å; N252-L296 HydrophobicContact CB-CD2 3.73Å; N252-L296 WeakPolarHBondContact OD1-CD2 3.33Å; N252-K299 PolarHBondContact ND2-NZ 3.23Å; N252-K299 PolarHBondContact OD1-NZ 2.94Å
253G71.8Confident82.9Confident71 Ų7138.1 Ų38.173%0.73221%0.211SC*.THydrogen-bonded Turntrans68.323-179.200000113.1L249 E250 A251L249-G253 PolarHBondContact O-N 3.31Å; E250-G253 PolarHBondContact O-N 2.99Å; A251-G253 VanDerWaalsContact C-N 3.28Å
254E74Confident82.6Confident86 Ų8640.3 Ų40.340%0.40222%0.222SC..PPolyproline II helixtrans-92.9136.6174.7-67.4-176.3-164.500109.5L249 N252 V256 K299L249-E254 PolarHBondContact O-N 3.45Å; N252-E254 PolarHBondContact ND2-OE1 3.32Å; N252-E254 PolarHBondContact O-N 3.5Å; E254-V256 PolarHBondContact O-N 2.95Å; E254-K299 IonicContact OE1-NZ 3.36Å; E254-K299 PolarHBondContact OE1-NZ 2.98Å
255E74.7Confident82.5Confident124 Ų12442.6 Ų42.658%0.57923%0.232SC*.PPolyproline II helixtrans-66.8128.5172.7-76.3-166.4157.500109.7R182R182-E255 IonicContact NH1-OE1 2.65Å; R182-E255 PolarHBondContact NH1-OE1 3.26Å
256V81Confident82.4Confident1 Ų149.3 Ų49.31%0.00626%0.263CS..PPolyproline II helixtrans-94.7120-176-174.70000110L190 S191 K246 L249 E250 E254 L261L190-V256 HydrophobicContact CD2-CG1 3.98Å; S191-V256 WeakPolarHBondContact CB-O 3.3Å; S191-V256 PolarHBondContact N-O 3.11Å; S191-V256 PolarHBondContact OG-O 3.1Å; K246-V256 HydrophobicContact CG-CG1 4.24Å; L249-V256 HydrophobicContact CB-CG2 3.59Å; L249-V256 HydrophobicContact CD1-CG1 4.41Å; L249-V256 HydrophobicContact CD1-CG2 4.31Å; E250-V256 HydrophobicContact CG-CG2 3.73Å; E254-V256 PolarHBondContact O-N 2.95Å; V256-L261 HydrophobicContact CG1-CD1 3.24Å; V256-L261 HydrophobicContact CG1-CG 3.87Å
257N86Confident82.2Confident67 Ų6750.4 Ų50.436%0.35828%0.276SS..  trans-121.2162.6164.761.841.2000110E259 G260 L261N257-E259 VanDerWaalsContact C-N 3.34Å; N257-E259 PolarHBondContact O-N 2.93Å; N257-G260 PolarHBondContact O-N 3.07Å; N257-G260 WeakPolarHBondContact OD1-CA 3.09Å; N257-G260 PolarHBondContact OD1-N 3.29Å; N257-L261 WeakPolarHBondContact O-CB 3.49Å; N257-L261 PolarHBondContact O-N 2.78Å; N257-L261 VanDerWaalsContact O-N 3.09Å
258E85.9Confident82Confident16 Ų1650.7 Ų50.78%0.07528%0.278CS..Hα-helixtrans-66.4-36.2-174-174.8168.715400112.8W133 G142 L190 L261 K262W133-E258 PolarHBondContact NE1-OE2 3.04Å; G142-E258 WeakPolarHBondContact CA-OE2 3.4Å; L190-E258 HydrophobicContact CD1-CB 4.27Å; E258-L261 WeakPolarHBondContact O-CB 3.28Å; E258-L261 PolarHBondContact O-N 3.02Å; E258-K262 HydrophobicContact CG-CD 4.27Å; E258-K262 HydrophobicContact CG-CG 4.47Å; E258-K262 WeakPolarHBondContact O-CG 3.5Å; E258-K262 PolarHBondContact O-N 3.07Å; E258-K262 WeakPolarHBondContact OE1-CE 3.48Å; E258-K262 IonicContact OE1-NZ 3.67Å; E258-K262 PolarHBondContact OE1-NZ 2.79Å
259E86.4Confident82Confident118 Ų11852 Ų5255%0.55129%0.285SS*.Hα-helixtrans-65.3-45.3179.3-175.460-161.600111.6N257 L261 K262 I263N257-E259 VanDerWaalsContact C-N 3.34Å; N257-E259 PolarHBondContact O-N 2.93Å; E259-L261 VanDerWaalsContact C-N 3.3Å; E259-L261 PolarHBondContact O-N 3.23Å; E259-K262 WeakPolarHBondContact O-CB 3.37Å; E259-K262 PolarHBondContact O-N 3.14Å; E259-K262 VanDerWaalsContact O-N 3.17Å; E259-I263 HydrophobicContact CG-CD1 4.09Å; E259-I263 VanDerWaalsContact O-CG1 3.32Å; E259-I263 WeakPolarHBondContact O-CG1 3.32Å; E259-I263 PolarHBondContact O-N 3.05Å
260G84.6Confident82.1Confident30 Ų3060.1 Ų60.131%0.30932%0.319SS..Hα-helixtrans-61-40.3174.600000112N257 I263 M264N257-G260 PolarHBondContact O-N 3.07Å; N257-G260 WeakPolarHBondContact OD1-CA 3.09Å; N257-G260 PolarHBondContact OD1-N 3.29Å; G260-I263 PolarHBondContact O-N 2.87Å; G260-M264 WeakPolarHBondContact O-CB 3.09Å; G260-M264 PolarHBondContact O-N 3.15Å
261L85.9Confident82.1Confident0 Ų063.1 Ų63.10%033%0.333CS..Hα-helixtrans-61.1-44.2172.5-105.5157.4000112.5L190 M242 L245 K246 L249 V256 N257 E258 E259 M264 K265L190-L261 HydrophobicContact CD1-CD1 3.62Å; L190-L261 HydrophobicContact CD2-CD1 4.3Å; M242-L261 HydrophobicContact CE-CB 3.77Å; M242-L261 HydrophobicContact CE-CD1 4.34Å; M242-L261 HydrophobicContact CE-CD2 4.07Å; M242-L261 HydrophobicContact CE-CG 4.31Å; M242-L261 HydrophobicContact SD-CB 4.41Å; M242-L261 HydrophobicContact SD-CD2 4.01Å; L245-L261 HydrophobicContact CB-CD2 3.48Å; L245-L261 VanDerWaalsContact CB-CD2 3.48Å; L245-L261 HydrophobicContact CD1-CD2 4.49Å; K246-L261 HydrophobicContact CB-CD1 4.26Å; L249-L261 HydrophobicContact CD1-CG 4.32Å; V256-L261 HydrophobicContact CG1-CD1 3.24Å; V256-L261 HydrophobicContact CG1-CG 3.87Å; N257-L261 WeakPolarHBondContact O-CB 3.49Å; N257-L261 PolarHBondContact O-N 2.78Å; N257-L261 VanDerWaalsContact O-N 3.09Å; E258-L261 WeakPolarHBondContact O-CB 3.28Å; E258-L261 PolarHBondContact O-N 3.02Å; E259-L261 VanDerWaalsContact C-N 3.3Å; E259-L261 PolarHBondContact O-N 3.23Å; L261-M264 PolarHBondContact O-N 3.32Å; L261-K265 VanDerWaalsContact O-CB 3.29Å; L261-K265 WeakPolarHBondContact O-CB 3.44Å; L261-K265 PolarHBondContact O-N 3.34Å
262K86.5Confident82.1Confident66 Ų6664.5 Ų64.529%0.28734%0.337SS..Hα-helixtrans-61.9-48.1176.1-77.3171-179.1158.10111.1E258 E259 M264 K265 E266E258-K262 HydrophobicContact CG-CD 4.27Å; E258-K262 HydrophobicContact CG-CG 4.47Å; E258-K262 WeakPolarHBondContact O-CG 3.5Å; E258-K262 PolarHBondContact O-N 3.07Å; E258-K262 WeakPolarHBondContact OE1-CE 3.48Å; E258-K262 IonicContact OE1-NZ 3.67Å; E258-K262 PolarHBondContact OE1-NZ 2.79Å; E259-K262 WeakPolarHBondContact O-CB 3.37Å; E259-K262 PolarHBondContact O-N 3.14Å; E259-K262 VanDerWaalsContact O-N 3.17Å; K262-M264 VanDerWaalsContact C-N 3.34Å; K262-M264 PolarHBondContact O-N 3.21Å; K262-K265 WeakPolarHBondContact O-CB 3.49Å; K262-K265 PolarHBondContact O-N 3.45Å; K262-E266 WeakPolarHBondContact O-CG 3.23Å; K262-E266 PolarHBondContact O-N 2.83Å
263I85.9Confident82.4Confident100 Ų10063.6 Ų63.651%0.51333%0.332SS..Hα-helixtrans-60.9-44.1177.6-67.2166.8000110.7E259 G260 E266 G267E259-I263 HydrophobicContact CG-CD1 4.09Å; E259-I263 VanDerWaalsContact O-CG1 3.32Å; E259-I263 WeakPolarHBondContact O-CG1 3.32Å; E259-I263 PolarHBondContact O-N 3.05Å; G260-I263 PolarHBondContact O-N 2.87Å; I263-E266 PolarHBondContact O-N 3.11Å; I263-G267 PolarHBondContact O-N 2.85Å
264M83.6Confident82.4Confident47 Ų4767.3 Ų67.323%0.23233%0.333CS..Hα-helixtrans-63.6-44.5177.6-171.8-178-167.200111.2L245 L248 L249 G260 L261 K262 E266 G267 I268L245-M264 HydrophobicContact CB-SD 4.33Å; L245-M264 HydrophobicContact CD2-CE 4.27Å; L245-M264 HydrophobicContact CD2-SD 4.15Å; L248-M264 HydrophobicContact CD2-CE 3.83Å; L248-M264 HydrophobicContact CG-CE 4.5Å; L249-M264 HydrophobicContact CD1-SD 3.74Å; L249-M264 HydrophobicContact CD2-CE 4.11Å; L249-M264 HydrophobicContact CD2-SD 3.58Å; L249-M264 VanDerWaalsContact CD2-SD 3.58Å; L249-M264 HydrophobicContact CG-CE 4.33Å; L249-M264 HydrophobicContact CG-SD 3.52Å; L249-M264 VanDerWaalsContact CG-SD 3.52Å; G260-M264 WeakPolarHBondContact O-CB 3.09Å; G260-M264 PolarHBondContact O-N 3.15Å; L261-M264 PolarHBondContact O-N 3.32Å; K262-M264 VanDerWaalsContact C-N 3.34Å; K262-M264 PolarHBondContact O-N 3.21Å; M264-E266 PolarHBondContact O-N 3.38Å; M264-G267 PolarHBondContact O-N 2.79Å; M264-I268 HydrophobicContact CE-CD1 4.08Å; M264-I268 HydrophobicContact CG-CD1 3.75Å; M264-I268 HydrophobicContact CG-CG1 4.47Å; M264-I268 WeakPolarHBondContact O-CB 3.24Å; M264-I268 VanDerWaalsContact O-CG1 3.29Å; M264-I268 WeakPolarHBondContact O-CG1 3.37Å; M264-I268 PolarHBondContact O-N 2.94Å; M264-I268 HydrophobicContact SD-CD1 4.43Å
265K86.3Confident82.5Confident48 Ų4868 Ų6821%0.20934%0.34CS..Hα-helixtrans-57.6-48.9175.6178.7-177.2172.6-179.50111.3L241 M242 L245 L261 K262 G267 I268 L269L241-K265 HydrophobicContact CD2-CD 4.38Å; L241-K265 HydrophobicContact CD2-CG 3.97Å; M242-K265 HydrophobicContact SD-CD 3.98Å; L245-K265 HydrophobicContact CD1-CB 3.79Å; L245-K265 HydrophobicContact CD1-CG 4.45Å; L261-K265 VanDerWaalsContact O-CB 3.29Å; L261-K265 WeakPolarHBondContact O-CB 3.44Å; L261-K265 PolarHBondContact O-N 3.34Å; K262-K265 WeakPolarHBondContact O-CB 3.49Å; K262-K265 PolarHBondContact O-N 3.45Å; K265-G267 PolarHBondContact O-N 2.99Å; K265-I268 PolarHBondContact O-N 3.48Å; K265-L269 HydrophobicContact CG-CD1 3.99Å; K265-L269 HydrophobicContact CG-CG 4.47Å; K265-L269 WeakPolarHBondContact O-CG 3.29Å; K265-L269 PolarHBondContact O-N 2.63Å
266E86Confident82.7Confident140 Ų14068.6 Ų68.665%0.65435%0.347SS*.Hα-helixtrans-62.6-42.7178-72.4-178.2177.700112.1K262 I263 M264 I268 K270K262-E266 WeakPolarHBondContact O-CG 3.23Å; K262-E266 PolarHBondContact O-N 2.83Å; I263-E266 PolarHBondContact O-N 3.11Å; M264-E266 PolarHBondContact O-N 3.38Å; E266-I268 VanDerWaalsContact C-N 3.28Å; E266-I268 PolarHBondContact O-N 3Å; E266-K270 VanDerWaalsContact O-CB 3.26Å; E266-K270 WeakPolarHBondContact O-CB 3.45Å; E266-K270 PolarHBondContact O-N 3.3Å
267G84.2Confident82.7Confident28 Ų2871.9 Ų71.929%0.28937%0.365SS..Hα-helixtrans-62.7-35.8176.600000113I263 M264 K265 Q271I263-G267 PolarHBondContact O-N 2.85Å; M264-G267 PolarHBondContact O-N 2.79Å; K265-G267 PolarHBondContact O-N 2.99Å; G267-Q271 WeakPolarHBondContact O-CG 3.25Å; G267-Q271 PolarHBondContact O-N 2.76Å; G267-Q271 PolarHBondContact O-NE2 2.63Å
268I81.5Confident82.5Confident6 Ų670.1 Ų70.13%0.03136%0.362CS..Hα-helixtrans-71.8-52.2177.2-78.9167.8000111.4L245 M264 K265 E266 K270 Q271 W272 I280 L288L245-I268 HydrophobicContact CD1-CD1 4.1Å; L245-I268 HydrophobicContact CD2-CD1 3.19Å; L245-I268 HydrophobicContact CG-CD1 4.28Å; M264-I268 HydrophobicContact CE-CD1 4.08Å; M264-I268 HydrophobicContact CG-CD1 3.75Å; M264-I268 HydrophobicContact CG-CG1 4.47Å; M264-I268 WeakPolarHBondContact O-CB 3.24Å; M264-I268 VanDerWaalsContact O-CG1 3.29Å; M264-I268 WeakPolarHBondContact O-CG1 3.37Å; M264-I268 PolarHBondContact O-N 2.94Å; M264-I268 HydrophobicContact SD-CD1 4.43Å; K265-I268 PolarHBondContact O-N 3.48Å; E266-I268 VanDerWaalsContact C-N 3.28Å; E266-I268 PolarHBondContact O-N 3Å; I268-K270 PolarHBondContact O-N 3.26Å; I268-Q271 PolarHBondContact O-N 3.37Å; I268-W272 HydrophobicContact CB-CE3 4.01Å; I268-W272 HydrophobicContact CB-CZ3 4.2Å; I268-W272 HydrophobicContact CG1-CE3 3.96Å; I268-W272 HydrophobicContact CG1-CZ3 3.71Å; I268-W272 HydrophobicContact CG2-CE3 3.98Å; I268-W272 VanDerWaalsContact O-CE3 3.28Å; I268-W272 PolarHBondContact O-N 3.24Å; I268-I280 HydrophobicContact CG2-CD1 3.57Å; I268-I280 HydrophobicContact CG2-CG1 4.14Å; I268-L288 HydrophobicContact CB-CD1 4.31Å; I268-L288 HydrophobicContact CD1-CD1 3.86Å; I268-L288 HydrophobicContact CD1-CD2 3.63Å; I268-L288 HydrophobicContact CD1-CG 4.26Å; I268-L288 HydrophobicContact CG1-CD1 3.93Å; I268-L288 HydrophobicContact CG1-CD2 4.14Å; I268-L288 HydrophobicContact CG1-CG 4.37Å; I268-L288 HydrophobicContact CG2-CD1 3.48Å; I268-L288 VanDerWaalsContact CG2-CD1 3.48Å
269L84.3Confident82.4Confident29 Ų2971.8 Ų71.815%0.15237%0.369CS..Hα-helixtrans-58.4-40.7178.5-68.2173.2000110.1L241 K265 Q271 D273 I280L241-L269 HydrophobicContact CD2-CD2 4.33Å; K265-L269 HydrophobicContact CG-CD1 3.99Å; K265-L269 HydrophobicContact CG-CG 4.47Å; K265-L269 WeakPolarHBondContact O-CG 3.29Å; K265-L269 PolarHBondContact O-N 2.63Å; L269-Q271 PolarHBondContact O-N 2.99Å; L269-D273 HydrophobicContact CB-CB 4.1Å; L269-D273 HydrophobicContact CD2-CB 3.73Å; L269-D273 WeakPolarHBondContact O-CA 3.11Å; L269-D273 WeakPolarHBondContact O-CB 3.42Å; L269-D273 PolarHBondContact O-N 3.03Å; L269-I280 HydrophobicContact CD2-CD1 4.17Å; L269-I280 HydrophobicContact CD2-CG1 4.09Å
270K84Confident82.3Confident188 Ų18866.1 Ų66.182%0.81734%0.342SS*.Hα-helixtrans-61.9-28.4176.9-170176.2180-178.70114.5E266 I268E266-K270 VanDerWaalsContact O-CB 3.26Å; E266-K270 WeakPolarHBondContact O-CB 3.45Å; E266-K270 PolarHBondContact O-N 3.3Å; I268-K270 PolarHBondContact O-N 3.26Å
271Q80.4Confident82.3Confident123 Ų12365.5 Ų65.558%0.57534%0.336SS*.Hα-helixtrans-95.1-36.9-177.2-78.2178.368.400113.2G267 I268 L269G267-Q271 WeakPolarHBondContact O-CG 3.25Å; G267-Q271 PolarHBondContact O-N 2.76Å; G267-Q271 PolarHBondContact O-NE2 2.63Å; I268-Q271 PolarHBondContact O-N 3.37Å; L269-Q271 PolarHBondContact O-N 2.99Å
272W77.7Confident82Confident37 Ų3769.7 Ų69.714%0.1435%0.351CS..Hα-helixtrans-115.7-24.6-170.2-69.4-78.4000114.5I268 I274 I280 E284 L288I268-W272 HydrophobicContact CB-CE3 4.01Å; I268-W272 HydrophobicContact CB-CZ3 4.2Å; I268-W272 HydrophobicContact CG1-CE3 3.96Å; I268-W272 HydrophobicContact CG1-CZ3 3.71Å; I268-W272 HydrophobicContact CG2-CE3 3.98Å; I268-W272 VanDerWaalsContact O-CE3 3.28Å; I268-W272 PolarHBondContact O-N 3.24Å; W272-I274 VanDerWaalsContact C-N 3.26Å; W272-I274 PolarHBondContact O-N 2.89Å; W272-I280 HydrophobicContact CB-CD1 4.11Å; W272-E284 HydrophobicContact CB-CB 4.11Å; W272-E284 HydrophobicContact CB-CG 4.04Å; W272-E284 VanDerWaalsContact O-CD 3.3Å; W272-L288 HydrophobicContact CD2-CD1 4.38Å; W272-L288 HydrophobicContact CE3-CD1 4.05Å; W272-L288 HydrophobicContact CE3-CG 4.26Å; W272-L288 HydrophobicContact CZ3-CG 4.35Å
273D79.6Confident81.5Confident11 Ų1173 Ų736%0.05937%0.368CS..  trans-80.875.3176.3172.417.5000110L269 N275 N276 D277 G278L269-D273 HydrophobicContact CB-CB 4.1Å; L269-D273 HydrophobicContact CD2-CB 3.73Å; L269-D273 WeakPolarHBondContact O-CA 3.11Å; L269-D273 WeakPolarHBondContact O-CB 3.42Å; L269-D273 PolarHBondContact O-N 3.03Å; D273-N275 PolarHBondContact O-N 2.69Å; D273-N275 PolarHBondContact OD1-OD1 3.16Å; D273-N276 VanDerWaalsContact CG-CA 3.5Å; D273-N276 PolarHBondContact O-N 3.47Å; D273-N276 WeakPolarHBondContact OD1-CA 3.4Å; D273-N276 PolarHBondContact OD1-N 3.34Å; D273-N276 VanDerWaalsContact OD2-CA 3.31Å; D273-N276 WeakPolarHBondContact OD2-CA 3.25Å; D273-D277 PolarHBondContact OD1-N 3.46Å; D273-D277 PolarHBondContact OD2-N 2.85Å; D273-G278 VanDerWaalsContact OD2-CA 3.24Å; D273-G278 WeakPolarHBondContact OD2-CA 3.4Å; D273-G278 PolarHBondContact OD2-N 3.34Å
274I71.7Confident81.2Confident149 Ų14970 Ų7076%0.76435%0.352SS*.THydrogen-bonded Turntrans-61.9-34.8-176.6-63.5173.1000111.1W272 N276W272-I274 VanDerWaalsContact C-N 3.26Å; W272-I274 PolarHBondContact O-N 2.89Å; I274-N276 PolarHBondContact O-ND2 2.77Å
275N76.5Confident81Confident101 Ų10167.8 Ų67.854%0.5434%0.341SS..THydrogen-bonded Turntrans-86.7-3.9-178.960.3-29000113.7D273 D277D273-N275 PolarHBondContact O-N 2.69Å; D273-N275 PolarHBondContact OD1-OD1 3.16Å; N275-D277 PolarHBondContact ND2-OD2 3.39Å; N275-D277 PolarHBondContact O-N 3.22Å
276N78Confident80.6Confident135 Ų13566.9 Ų66.972%0.72234%0.339SS*.  trans53.937.6-179.5-61.3-90.2000113D273 I274 G278D273-N276 VanDerWaalsContact CG-CA 3.5Å; D273-N276 PolarHBondContact O-N 3.47Å; D273-N276 WeakPolarHBondContact OD1-CA 3.4Å; D273-N276 PolarHBondContact OD1-N 3.34Å; D273-N276 VanDerWaalsContact OD2-CA 3.31Å; D273-N276 WeakPolarHBondContact OD2-CA 3.25Å; I274-N276 PolarHBondContact O-ND2 2.77Å; N276-G278 VanDerWaalsContact C-N 3.35Å
277D82.1Confident80.3Confident71 Ų7163.4 Ų63.438%0.3832%0.324SS..SBendtrans-91.7-0.917772.22000113.1D273 N275 K279D273-D277 PolarHBondContact OD1-N 3.46Å; D273-D277 PolarHBondContact OD2-N 2.85Å; N275-D277 PolarHBondContact ND2-OD2 3.39Å; N275-D277 PolarHBondContact O-N 3.22Å; D277-K279 HydrophobicContact CB-CD 4.22Å; D277-K279 PolarHBondContact O-N 2.9Å; D277-K279 WeakPolarHBondContact OD1-CA 3.26Å; D277-K279 WeakPolarHBondContact OD1-CB 3.42Å; D277-K279 PolarHBondContact OD1-N 3.47Å
278G80.7Confident80Confident29 Ų2962.2 Ų62.230%0.29931%0.311SS..SBendtrans75.710.9-179.600000113.8D273 N276D273-G278 VanDerWaalsContact OD2-CA 3.24Å; D273-G278 WeakPolarHBondContact OD2-CA 3.4Å; D273-G278 PolarHBondContact OD2-N 3.34Å; N276-G278 VanDerWaalsContact C-N 3.35Å
279K85.4Confident79.8Confident51 Ų5162 Ų6222%0.22231%0.31CS..  trans-116153.4-173.7-59.9153.1170.4-82.90110V235 E237 D277V235-K279 HydrophobicContact CB-CB 3.95Å; V235-K279 HydrophobicContact CG1-CB 4.34Å; V235-K279 HydrophobicContact CG2-CB 4Å; V235-K279 HydrophobicContact CG2-CD 3.98Å; V235-K279 HydrophobicContact CG2-CG 3.99Å; E237-K279 HydrophobicContact CB-CG 4.02Å; E237-K279 IonicContact OE1-NZ 2.77Å; E237-K279 PolarHBondContact OE1-NZ 3.34Å; E237-K279 WeakPolarHBondContact OE2-CE 3.4Å; E237-K279 IonicContact OE2-NZ 2.82Å; E237-K279 PolarHBondContact OE2-NZ 3.5Å; D277-K279 HydrophobicContact CB-CD 4.22Å; D277-K279 PolarHBondContact O-N 2.9Å; D277-K279 WeakPolarHBondContact OD1-CA 3.26Å; D277-K279 WeakPolarHBondContact OD1-CB 3.42Å; D277-K279 PolarHBondContact OD1-N 3.47Å
280I83.3Confident79.4Confident0 Ų063.1 Ų63.10%032%0.316CS..EExtended strand (participates in β ladder)trans-116.7117.8175.9-65.9-77.3000109.3V235 L236 L241 I268 L269 W272 E284 I285V235-I280 CarbonylContact C-O 3.59Å; V235-I280 WeakPolarHBondContact CA-O 3.47Å; L236-I280 PolarHBondContact N-O 2.8Å; L236-I280 PolarHBondContact O-N 3.47Å; L241-I280 HydrophobicContact CD1-CB 4.35Å; L241-I280 HydrophobicContact CD1-CG1 3.98Å; L241-I280 HydrophobicContact CD2-CG1 4.1Å; I268-I280 HydrophobicContact CG2-CD1 3.57Å; I268-I280 HydrophobicContact CG2-CG1 4.14Å; L269-I280 HydrophobicContact CD2-CD1 4.17Å; L269-I280 HydrophobicContact CD2-CG1 4.09Å; W272-I280 HydrophobicContact CB-CD1 4.11Å; I280-E284 VanDerWaalsContact CA-OE2 3.25Å; I280-E284 WeakPolarHBondContact CA-OE2 3.5Å; I280-E284 HydrophobicContact CD1-CB 4.41Å; I280-E284 HydrophobicContact CG2-CB 3.82Å; I280-I285 HydrophobicContact CG2-CD1 4.41Å; I280-I285 HydrophobicContact CG2-CG1 3.57Å
281G84Confident79Confident16 Ų1657.9 Ų57.917%0.16529%0.294CS..EExtended strand (participates in β ladder)trans-84.1172.9177.100000113.6Q283 E284 I285G281-Q283 VanDerWaalsContact C-N 3.29Å; G281-Q283 PolarHBondContact O-N 3.01Å; G281-E284 PolarHBondContact N-OE2 3.42Å; G281-E284 PolarHBondContact O-N 3.24Å; G281-I285 PolarHBondContact O-N 3.1Å; G281-I285 VanDerWaalsContact O-N 3.12Å
282R79.8Confident78.7Confident88 Ų8852.7 Ų52.733%0.33227%0.271SS..Hα-helixtrans-53.3-42.6-179.8179-175.6170.114810114.1D218 I221 D222 F225 E284 N286D218-R282 PolarHBondContact O-NH2 3.37Å; D218-R282 IonicContact OD1-NH2 3.5Å; I221-R282 HydrophobicContact CG2-CG 4.29Å; D222-R282 IonicContact OD1-CZ 3.63Å; D222-R282 IonicContact OD1-NE 3.19Å; D222-R282 IonicContact OD1-NH1 2.63Å; D222-R282 PolarHBondContact OD1-NH1 3.46Å; D222-R282 IonicContact OD1-NH2 2.92Å; D222-R282 PolarHBondContact OD1-NH2 3.06Å; D222-R282 IonicContact OD2-CZ 3.15Å; D222-R282 IonicContact OD2-NH1 2.89Å; D222-R282 PolarHBondContact OD2-NH1 2.91Å; D222-R282 IonicContact OD2-NH2 3.93Å; D222-R282 PolarHBondContact OD2-NH2 3.25Å; F225-R282 HydrophobicContact CD2-CB 4.15Å; F225-R282 HydrophobicContact CE2-CB 4.17Å; R282-E284 VanDerWaalsContact C-N 3.33Å; R282-N286 PolarHBondContact O-N 3.18Å
283Q76.5Confident78.5Confident137 Ų13751.8 Ų51.864%0.6427%0.269SS*.Hα-helixtrans-65.1-42.5-176.6-166.170.325.100110.8G281 N286 D287G281-Q283 VanDerWaalsContact C-N 3.29Å; G281-Q283 PolarHBondContact O-N 3.01Å; Q283-N286 WeakPolarHBondContact O-CB 3.44Å; Q283-N286 PolarHBondContact O-N 3.5Å; Q283-D287 PolarHBondContact O-N 2.96Å
284E80.2Confident78.1Confident36 Ų3656.2 Ų56.217%0.16829%0.289CS..Hα-helixtrans-68.7-38.4-178.7-67.2151.7-167.700111.2W272 I280 G281 R282 N286 D287 L288W272-E284 HydrophobicContact CB-CB 4.11Å; W272-E284 HydrophobicContact CB-CG 4.04Å; W272-E284 VanDerWaalsContact O-CD 3.3Å; I280-E284 VanDerWaalsContact CA-OE2 3.25Å; I280-E284 WeakPolarHBondContact CA-OE2 3.5Å; I280-E284 HydrophobicContact CD1-CB 4.41Å; I280-E284 HydrophobicContact CG2-CB 3.82Å; G281-E284 PolarHBondContact N-OE2 3.42Å; G281-E284 PolarHBondContact O-N 3.24Å; R282-E284 VanDerWaalsContact C-N 3.33Å; E284-N286 VanDerWaalsContact C-N 3.3Å; E284-N286 PolarHBondContact O-N 3.24Å; E284-D287 PolarHBondContact O-N 2.98Å; E284-L288 WeakPolarHBondContact O-CB 3.25Å; E284-L288 PolarHBondContact O-N 3.05Å
285I79.6Confident78.2Confident0 Ų052.3 Ų52.30%027%0.269CS..Hα-helixtrans-57.2-44172.7-66.7-156.6000111.9F225 L236 F244 I280 G281 D287 L288 I289F225-I285 HydrophobicContact CD2-CB 4.47Å; F225-I285 HydrophobicContact CD2-CD1 3.42Å; F225-I285 VanDerWaalsContact CD2-CD1 3.42Å; F225-I285 HydrophobicContact CD2-CG1 4.09Å; F225-I285 HydrophobicContact CE2-CD1 3.48Å; F225-I285 VanDerWaalsContact CE2-CD1 3.48Å; F225-I285 HydrophobicContact CE2-CG1 4.02Å; F225-I285 HydrophobicContact CG-CD1 4.49Å; L236-I285 HydrophobicContact CD1-CD1 3.19Å; L236-I285 HydrophobicContact CD1-CG1 4.47Å; L236-I285 HydrophobicContact CG-CD1 3.68Å; F244-I285 HydrophobicContact CE2-CG2 4.21Å; F244-I285 HydrophobicContact CZ-CG2 4.12Å; I280-I285 HydrophobicContact CG2-CD1 4.41Å; I280-I285 HydrophobicContact CG2-CG1 3.57Å; G281-I285 PolarHBondContact O-N 3.1Å; G281-I285 VanDerWaalsContact O-N 3.12Å; I285-D287 VanDerWaalsContact C-N 3.31Å; I285-D287 PolarHBondContact O-N 3.23Å; I285-L288 PolarHBondContact O-N 3.49Å; I285-I289 HydrophobicContact CG2-CD1 3.52Å; I285-I289 HydrophobicContact CG2-CG1 4.07Å; I285-I289 VanDerWaalsContact O-CG1 3.3Å; I285-I289 WeakPolarHBondContact O-CG1 3.42Å; I285-I289 PolarHBondContact O-N 2.9Å
286N78.2Confident77.9Confident30 Ų3048.7 Ų48.716%0.1625%0.249CC..Hα-helixtrans-58.8-47.5179.2177.452.3000110.9I221 R282 Q283 E284 L288 I289 L290I221-N286 HydrophobicContact CD1-CB 3.92Å; I221-N286 WeakPolarHBondContact CD1-OD1 3.4Å; I221-N286 HydrophobicContact CG2-CB 4.49Å; R282-N286 PolarHBondContact O-N 3.18Å; Q283-N286 WeakPolarHBondContact O-CB 3.44Å; Q283-N286 PolarHBondContact O-N 3.5Å; E284-N286 VanDerWaalsContact C-N 3.3Å; E284-N286 PolarHBondContact O-N 3.24Å; N286-L288 VanDerWaalsContact C-N 3.3Å; N286-L288 PolarHBondContact O-N 3.15Å; N286-I289 PolarHBondContact O-N 2.81Å; N286-L290 WeakPolarHBondContact O-CB 3.48Å; N286-L290 VanDerWaalsContact O-CG 3.24Å; N286-L290 WeakPolarHBondContact O-CG 3.42Å; N286-L290 PolarHBondContact O-N 3.34Å
287D78.4Confident77.5Confident67 Ų6745.2 Ų45.236%0.35823%0.229SC..Hα-helixtrans-63-39.8179.9-65.3-16.2000111.4Q283 E284 I285 L290 Q291Q283-D287 PolarHBondContact O-N 2.96Å; E284-D287 PolarHBondContact O-N 2.98Å; I285-D287 VanDerWaalsContact C-N 3.31Å; I285-D287 PolarHBondContact O-N 3.23Å; D287-L290 PolarHBondContact O-N 3.41Å; D287-Q291 WeakPolarHBondContact O-CB 3.4Å; D287-Q291 PolarHBondContact O-N 3.33Å
288L79Confident77.1Confident3 Ų346.8 Ų46.82%0.01623%0.234CC..Hα-helixtrans-64-45.6177.3-129151.1000112.8F244 L248 I268 W272 E284 I285 N286 Q291 T292F244-L288 HydrophobicContact CE1-CD2 4.46Å; L248-L288 HydrophobicContact CD2-CD2 3.62Å; I268-L288 HydrophobicContact CB-CD1 4.31Å; I268-L288 HydrophobicContact CD1-CD1 3.86Å; I268-L288 HydrophobicContact CD1-CD2 3.63Å; I268-L288 HydrophobicContact CD1-CG 4.26Å; I268-L288 HydrophobicContact CG1-CD1 3.93Å; I268-L288 HydrophobicContact CG1-CD2 4.14Å; I268-L288 HydrophobicContact CG1-CG 4.37Å; I268-L288 HydrophobicContact CG2-CD1 3.48Å; I268-L288 VanDerWaalsContact CG2-CD1 3.48Å; W272-L288 HydrophobicContact CD2-CD1 4.38Å; W272-L288 HydrophobicContact CE3-CD1 4.05Å; W272-L288 HydrophobicContact CE3-CG 4.26Å; W272-L288 HydrophobicContact CZ3-CG 4.35Å; E284-L288 WeakPolarHBondContact O-CB 3.25Å; E284-L288 PolarHBondContact O-N 3.05Å; I285-L288 PolarHBondContact O-N 3.49Å; N286-L288 VanDerWaalsContact C-N 3.3Å; N286-L288 PolarHBondContact O-N 3.15Å; L288-Q291 PolarHBondContact O-N 3.49Å; L288-T292 PolarHBondContact O-N 2.6Å; L288-T292 PolarHBondContact O-OG1 2.87Å
289I76Confident76.6Confident0 Ų049.1 Ų49.10%024%0.236CC..Hα-helixtrans-66.2-44.3177.7-66.3172000110.1L208 L216 I224 F244 I285 N286 Q291 T292 I293L208-I289 HydrophobicContact CD2-CG2 3.65Å; L216-I289 HydrophobicContact CD1-CB 4.2Å; L216-I289 HydrophobicContact CD1-CD1 4.37Å; L216-I289 HydrophobicContact CD1-CG2 3.25Å; I224-I289 HydrophobicContact CD1-CD1 4.03Å; I224-I289 HydrophobicContact CG2-CD1 4.17Å; F244-I289 HydrophobicContact CE2-CD1 4.16Å; F244-I289 HydrophobicContact CE2-CG1 4.17Å; F244-I289 HydrophobicContact CZ-CD1 4.29Å; F244-I289 HydrophobicContact CZ-CG1 3.84Å; I285-I289 HydrophobicContact CG2-CD1 3.52Å; I285-I289 HydrophobicContact CG2-CG1 4.07Å; I285-I289 VanDerWaalsContact O-CG1 3.3Å; I285-I289 WeakPolarHBondContact O-CG1 3.42Å; I285-I289 PolarHBondContact O-N 2.9Å; N286-I289 PolarHBondContact O-N 2.81Å; I289-Q291 VanDerWaalsContact C-N 3.32Å; I289-Q291 PolarHBondContact O-N 3.05Å; I289-T292 PolarHBondContact O-N 3.39Å; I289-T292 VanDerWaalsContact O-N 3.15Å; I289-I293 HydrophobicContact CG2-CD1 3.9Å; I289-I293 HydrophobicContact CG2-CG1 4.3Å; I289-I293 WeakPolarHBondContact O-CG1 3.4Å; I289-I293 PolarHBondContact O-N 2.68Å
290L75.8Confident75.9Confident53 Ų5351.7 Ų51.728%0.27725%0.249SC..Hα-helixtrans-60.6-42.4178.1-74.3173.3000111.8N286 D287 T292 I293 H294N286-L290 WeakPolarHBondContact O-CB 3.48Å; N286-L290 VanDerWaalsContact O-CG 3.24Å; N286-L290 WeakPolarHBondContact O-CG 3.42Å; N286-L290 PolarHBondContact O-N 3.34Å; D287-L290 PolarHBondContact O-N 3.41Å; L290-T292 VanDerWaalsContact C-N 3.33Å; L290-I293 PolarHBondContact O-N 3.5Å; L290-H294 PolarHBondContact O-N 2.91Å
291Q76.9Confident75.3Confident78 Ų7857.8 Ų57.836%0.36428%0.277SS..Hα-helixtrans-64.2-40.4175.3-168.6-176.516.200111.7D287 L288 I289 H294 I295D287-Q291 WeakPolarHBondContact O-CB 3.4Å; D287-Q291 PolarHBondContact O-N 3.33Å; L288-Q291 PolarHBondContact O-N 3.49Å; I289-Q291 VanDerWaalsContact C-N 3.32Å; I289-Q291 PolarHBondContact O-N 3.05Å; Q291-H294 WeakPolarHBondContact O-CB 3.22Å; Q291-H294 PolarHBondContact O-N 3.09Å; Q291-I295 HydrophobicContact CG-CD1 4.15Å; Q291-I295 WeakPolarHBondContact O-CG1 3.45Å; Q291-I295 PolarHBondContact O-N 2.81Å
292T73.5Confident74.6Confident14 Ų1462 Ų629%0.08630%0.295CS..Hα-helixtrans-63.4-44.9177-54.50000111.3L248 L288 I289 L290 H294 I295 L296L248-T292 HydrophobicContact CD1-CG2 3.69Å; L248-T292 HydrophobicContact CG-CG2 4.02Å; L288-T292 PolarHBondContact O-N 2.6Å; L288-T292 PolarHBondContact O-OG1 2.87Å; I289-T292 PolarHBondContact O-N 3.39Å; I289-T292 VanDerWaalsContact O-N 3.15Å; L290-T292 VanDerWaalsContact C-N 3.33Å; T292-H294 VanDerWaalsContact C-N 3.27Å; T292-H294 PolarHBondContact O-N 3.43Å; T292-I295 PolarHBondContact O-N 3.43Å; T292-L296 HydrophobicContact CG2-CD1 4.1Å; T292-L296 HydrophobicContact CG2-CG 4.36Å; T292-L296 VanDerWaalsContact O-CG 3.27Å; T292-L296 WeakPolarHBondContact O-CG 3.28Å; T292-L296 PolarHBondContact O-N 3.13Å
293I72.3Confident74.2Confident18 Ų1865 Ų659%0.09231%0.31CS..Hα-helixtrans-56.2-44.2174.2-68.3169.4000110.5L208 L216 I289 L290 L296 Q297L208-I293 HydrophobicContact CD2-CD1 3.96Å; L208-I293 HydrophobicContact CD2-CG1 3.47Å; L208-I293 VanDerWaalsContact CD2-CG1 3.47Å; L216-I293 HydrophobicContact CD1-CD1 4.21Å; L216-I293 HydrophobicContact CG-CD1 4.45Å; I289-I293 HydrophobicContact CG2-CD1 3.9Å; I289-I293 HydrophobicContact CG2-CG1 4.3Å; I289-I293 WeakPolarHBondContact O-CG1 3.4Å; I289-I293 PolarHBondContact O-N 2.68Å; L290-I293 PolarHBondContact O-N 3.5Å; I293-L296 PolarHBondContact O-N 2.99Å; I293-Q297 HydrophobicContact CG2-CG 4.44Å; I293-Q297 VanDerWaalsContact O-CG 3.3Å; I293-Q297 WeakPolarHBondContact O-CG 3.41Å; I293-Q297 PolarHBondContact O-N 3.39Å
294H73Confident73.9Confident105 Ų10564.4 Ų64.449%0.48631%0.306SS..Hα-helixtrans-61.2-45.9178.1-170.1-80.2000112.1L290 Q291 T292 L296 Q297 E298L290-H294 PolarHBondContact O-N 2.91Å; Q291-H294 WeakPolarHBondContact O-CB 3.22Å; Q291-H294 PolarHBondContact O-N 3.09Å; T292-H294 VanDerWaalsContact C-N 3.27Å; T292-H294 PolarHBondContact O-N 3.43Å; H294-L296 VanDerWaalsContact C-N 3.35Å; H294-L296 PolarHBondContact O-N 3.47Å; H294-Q297 PolarHBondContact O-N 3.39Å; H294-E298 VanDerWaalsContact CE1-CD 3.45Å; H294-E298 IonicContact CE1-OE1 3.06Å; H294-E298 PolarHBondContact CE1-OE1 3.47Å; H294-E298 VanDerWaalsContact CE1-OE1 3.24Å; H294-E298 IonicContact CE1-OE2 2.68Å; H294-E298 IonicContact ND1-OE1 3.5Å; H294-E298 IonicContact ND1-OE2 2.66Å; H294-E298 PolarHBondContact O-N 2.88Å
295I73.8Confident73.6Confident67 Ų6767.1 Ų67.134%0.34433%0.325SS..Hα-helixtrans-62.2-42.3177.8-67.9165.6000111.1Q291 T292 Q297 E298 K299Q291-I295 HydrophobicContact CG-CD1 4.15Å; Q291-I295 WeakPolarHBondContact O-CG1 3.45Å; Q291-I295 PolarHBondContact O-N 2.81Å; T292-I295 PolarHBondContact O-N 3.43Å; I295-Q297 PolarHBondContact O-N 2.89Å; I295-E298 PolarHBondContact O-N 3.17Å; I295-K299 PolarHBondContact O-N 3.06Å
296L68.7Low73Confident24 Ų2472.9 Ų72.913%0.12636%0.355CS..Hα-helixtrans-62.1-43.6177.7-69.4171.4000111.9N252 T292 I293 H294 K299 E300N252-L296 HydrophobicContact CB-CD2 3.73Å; N252-L296 WeakPolarHBondContact OD1-CD2 3.33Å; T292-L296 HydrophobicContact CG2-CD1 4.1Å; T292-L296 HydrophobicContact CG2-CG 4.36Å; T292-L296 VanDerWaalsContact O-CG 3.27Å; T292-L296 WeakPolarHBondContact O-CG 3.28Å; T292-L296 PolarHBondContact O-N 3.13Å; I293-L296 PolarHBondContact O-N 2.99Å; H294-L296 VanDerWaalsContact C-N 3.35Å; H294-L296 PolarHBondContact O-N 3.47Å; L296-K299 PolarHBondContact O-N 2.9Å; L296-E300 PolarHBondContact O-N 2.99Å
297Q70.7Confident72.1Confident63 Ų6378.4 Ų78.429%0.29439%0.385SS..Hα-helixtrans-64.7-41.3177.5-72.5177.1-11.400112H214 I293 H294 I295 E300 H301H214-Q297 PolarHBondContact CE1-OE1 3.49Å; H214-Q297 VanDerWaalsContact CE1-OE1 3.26Å; H214-Q297 PolarHBondContact ND1-OE1 3.03Å; I293-Q297 HydrophobicContact CG2-CG 4.44Å; I293-Q297 VanDerWaalsContact O-CG 3.3Å; I293-Q297 WeakPolarHBondContact O-CG 3.41Å; I293-Q297 PolarHBondContact O-N 3.39Å; H294-Q297 PolarHBondContact O-N 3.39Å; I295-Q297 PolarHBondContact O-N 2.89Å; Q297-E300 PolarHBondContact O-N 3.37Å; Q297-H301 WeakPolarHBondContact O-CB 3.25Å; Q297-H301 PolarHBondContact O-CD2 3.36Å; Q297-H301 PolarHBondContact O-N 3.31Å
298E72.4Confident70.5Confident104 Ų10485 Ų8549%0.48642%0.419SS..Hα-helixtrans-63-44.4174.6-76.9-174.9147.600111.8H294 I295 E300 H301 L302H294-E298 VanDerWaalsContact CE1-CD 3.45Å; H294-E298 IonicContact CE1-OE1 3.06Å; H294-E298 PolarHBondContact CE1-OE1 3.47Å; H294-E298 VanDerWaalsContact CE1-OE1 3.24Å; H294-E298 IonicContact CE1-OE2 2.68Å; H294-E298 IonicContact ND1-OE1 3.5Å; H294-E298 IonicContact ND1-OE2 2.66Å; H294-E298 PolarHBondContact O-N 2.88Å; I295-E298 PolarHBondContact O-N 3.17Å; E298-E300 PolarHBondContact O-N 3.34Å; E298-H301 PolarHBondContact O-N 3.2Å; E298-L302 WeakPolarHBondContact O-CB 3.31Å; E298-L302 WeakPolarHBondContact O-CD1 3.5Å; E298-L302 PolarHBondContact O-N 3.19Å
299K71.7Confident70.1Confident78 Ų7889.2 Ų89.234%0.33944%0.44SS..Hα-helixtrans-59.6-43.7175-79.5-175.9179.1178.30111.7N252 E254 I295 L296 L302 K303N252-K299 PolarHBondContact ND2-NZ 3.23Å; N252-K299 PolarHBondContact OD1-NZ 2.94Å; E254-K299 IonicContact OE1-NZ 3.36Å; E254-K299 PolarHBondContact OE1-NZ 2.98Å; I295-K299 PolarHBondContact O-N 3.06Å; L296-K299 PolarHBondContact O-N 2.9Å; K299-L302 PolarHBondContact O-N 3.22Å; K299-K303 WeakPolarHBondContact O-CG 3.35Å; K299-K303 PolarHBondContact O-N 2.87Å
300E70.1Confident69.8Low104 Ų10493.8 Ų93.849%0.48646%0.463SS..Hα-helixtrans-63.1-43.5175.3-81.3-152.4155.300112.6L296 Q297 E298 K303 K304L296-E300 PolarHBondContact O-N 2.99Å; Q297-E300 PolarHBondContact O-N 3.37Å; E298-E300 PolarHBondContact O-N 3.34Å; E300-K303 PolarHBondContact O-N 3.33Å; E300-K304 WeakPolarHBondContact O-CG 3.46Å; E300-K304 PolarHBondContact O-N 2.95Å; E300-K304 IonicContact OE2-NZ 2.85Å
301H69.9Low69.4Low129 Ų12996.1 Ų96.160%0.59747%0.473SS*.Hα-helixtrans-61-44.8177-96-74.3000111.4Q297 E298 K303 K304 V305Q297-H301 WeakPolarHBondContact O-CB 3.25Å; Q297-H301 PolarHBondContact O-CD2 3.36Å; Q297-H301 PolarHBondContact O-N 3.31Å; E298-H301 PolarHBondContact O-N 3.2Å; H301-K303 PolarHBondContact O-N 3.14Å; H301-K304 PolarHBondContact O-N 3.02Å; H301-V305 VanDerWaalsContact O-CG2 3.29Å; H301-V305 WeakPolarHBondContact O-CG2 3.44Å; H301-V305 PolarHBondContact O-N 3.06Å
302L69.5Low69Low105 Ų10597.2 Ų97.255%0.5548%0.479SS..Hα-helixtrans-61.1-42.8175.7-83.3154000112.2E298 K299 K304 V305 N306E298-L302 WeakPolarHBondContact O-CB 3.31Å; E298-L302 WeakPolarHBondContact O-CD1 3.5Å; E298-L302 PolarHBondContact O-N 3.19Å; K299-L302 PolarHBondContact O-N 3.22Å; L302-K304 PolarHBondContact O-N 2.65Å; L302-V305 PolarHBondContact O-N 2.85Å; L302-N306 WeakPolarHBondContact O-CB 2.88Å; L302-N306 PolarHBondContact O-N 3.24Å
303K71.7Confident68.7Low149 Ų149102.4 Ų102.465%0.64850%0.504SS*.Hα-helixtrans-61.2-42.1174.8-77.2-179.7178.1-179.90112K299 E300 H301 N307K299-K303 WeakPolarHBondContact O-CG 3.35Å; K299-K303 PolarHBondContact O-N 2.87Å; E300-K303 PolarHBondContact O-N 3.33Å; H301-K303 PolarHBondContact O-N 3.14Å; K303-N307 WeakPolarHBondContact O-CB 3.13Å; K303-N307 PolarHBondContact O-N 2.98Å; K303-N307 PolarHBondContact O-ND2 3.33Å
304K71.3Confident68.4Low126 Ų126108 Ų10855%0.54853%0.532SS..Hα-helixtrans-66.6-38.1177.2-73.9172.4-176.8159.90112.3E300 H301 L302 L308E300-K304 WeakPolarHBondContact O-CG 3.46Å; E300-K304 PolarHBondContact O-N 2.95Å; E300-K304 IonicContact OE2-NZ 2.85Å; H301-K304 PolarHBondContact O-N 3.02Å; L302-K304 PolarHBondContact O-N 2.65Å; K304-L308 WeakPolarHBondContact O-CD1 3.41Å
305V73.2Confident68.1Low92 Ų92108.2 Ų108.256%0.55854%0.535SS*.Hα-helixtrans-71.5-38178.8171.90000111.9H301 L302 N307 L308H301-V305 VanDerWaalsContact O-CG2 3.29Å; H301-V305 WeakPolarHBondContact O-CG2 3.44Å; H301-V305 PolarHBondContact O-N 3.06Å; L302-V305 PolarHBondContact O-N 2.85Å; V305-N307 VanDerWaalsContact C-N 3.32Å; V305-N307 PolarHBondContact O-N 2.87Å; V305-L308 PolarHBondContact O-N 2.86Å
306N67.8Low67.7Low121 Ų121111.4 Ų111.465%0.64755%0.549SS*.Hα-helixtrans-78.3-14179.7-74.6-19.4000114.1L302L302-N306 WeakPolarHBondContact O-CB 2.88Å; L302-N306 PolarHBondContact O-N 3.24Å
307N58.2Low67.6Low147 Ų147118.7 Ų118.779%0.78659%0.585SS**THydrogen-bonded Turntrans-97.410.7175.2-74.1-18.1000113.2K303 V305K303-N307 WeakPolarHBondContact O-CB 3.13Å; K303-N307 PolarHBondContact O-N 2.98Å; K303-N307 PolarHBondContact O-ND2 3.33Å; V305-N307 VanDerWaalsContact C-N 3.32Å; V305-N307 PolarHBondContact O-N 2.87Å
308L44.7Very low67.3Low206 Ų206123.7 Ų123.7100%1.07961%0.611SS**  trans-113.50172.6-78.1165.6000110.3K304 V305K304-L308 WeakPolarHBondContact O-CD1 3.41Å; V305-L308 PolarHBondContact O-N 2.86Å

Retrieved 308 of 308 residues in 76.5 ms (Link to these results)

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