G4LU78_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4LU78, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 192 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39Very low59Low231 Ų231119.9 Ų119.9100%1.13860%0.599SS**  0111.10-81.2154.8153.900107.5
2C45.7Very low60.5Low94 Ų94118.5 Ų118.564%0.63559%0.593SS**  trans-74.3131.8-167.5-72.70000110.1C4 E5C2-C4 PolarHBondContact O-N 3.12Å; C2-E5 PolarHBondContact O-N 3.43Å
3C48.2Very low61.6Low107 Ų107117.1 Ų117.172%0.72359%0.587SS**Hα-helixtrans-51.8-23.6-177-52.90000114.4D7C3-D7 PolarHBondContact O-N 2.75Å
4C51.5Low62.9Low48 Ų48114.7 Ų114.732%0.32458%0.576SS.*Hα-helixtrans-74.1-26.4176.3-660000114.7C2 Y6 I8 K88C2-C4 PolarHBondContact O-N 3.12Å; C4-Y6 VanDerWaalsContact C-N 3.31Å; C4-I8 WeakPolarHBondContact O-CB 3.36Å; C4-I8 WeakPolarHBondContact O-CD1 3.43Å; C4-I8 WeakPolarHBondContact O-CG1 3.5Å; C4-I8 PolarHBondContact O-N 2.77Å; C4-K88 PolarHBondContact SG-NZ 3.14Å
5E56.2Low63.3Low111 Ų111111.9 Ų111.952%0.51956%0.557SS.*Hα-helixtrans-65.6-40.9174.1-73175.9157.600110.1C2 I8 I9C2-E5 PolarHBondContact O-N 3.43Å; E5-I8 PolarHBondContact O-N 3.01Å; E5-I9 VanDerWaalsContact O-CB 3.31Å; E5-I9 WeakPolarHBondContact O-CB 3.42Å; E5-I9 WeakPolarHBondContact O-CD1 3.41Å; E5-I9 WeakPolarHBondContact O-CG1 3.31Å; E5-I9 PolarHBondContact O-N 3.12Å
6Y58Low64Low170 Ų170108.4 Ų108.467%0.66755%0.546SS*.Hα-helixtrans-65.8-43.8178.5-170-97.9000112.3C4 I9 K10C4-Y6 VanDerWaalsContact C-N 3.31Å; Y6-I9 PolarHBondContact O-N 3.09Å; Y6-K10 VanDerWaalsContact O-CB 3.28Å; Y6-K10 WeakPolarHBondContact O-CB 3.33Å; Y6-K10 PolarHBondContact O-N 2.85Å
7D64.8Low64.8Low83 Ų83108.1 Ų108.144%0.44455%0.545SS..Hα-helixtrans-62.9-46.1176.3-75.6-29.9000111.2C3 I9 K10 Y11C3-D7 PolarHBondContact O-N 2.75Å; D7-I9 PolarHBondContact O-N 2.99Å; D7-K10 PolarHBondContact O-N 2.64Å; D7-Y11 WeakPolarHBondContact O-CD2 3.09Å; D7-Y11 PolarHBondContact O-N 3.29Å
8I70.1Confident65.5Low84 Ų84105.8 Ų105.843%0.43154%0.538SS..Hα-helixtrans-62.9-45.4178.7-68.1166.5000110.7C4 E5 K10 Y11 I12C4-I8 WeakPolarHBondContact O-CB 3.36Å; C4-I8 WeakPolarHBondContact O-CD1 3.43Å; C4-I8 WeakPolarHBondContact O-CG1 3.5Å; C4-I8 PolarHBondContact O-N 2.77Å; E5-I8 PolarHBondContact O-N 3.01Å; I8-K10 VanDerWaalsContact C-N 3.32Å; I8-K10 PolarHBondContact O-N 2.74Å; I8-Y11 PolarHBondContact O-N 2.65Å; I8-I12 HydrophobicContact CG2-CD1 3.7Å; I8-I12 HydrophobicContact CG2-CG1 4.34Å; I8-I12 VanDerWaalsContact O-CG1 3.26Å; I8-I12 WeakPolarHBondContact O-CG1 3.43Å; I8-I12 PolarHBondContact O-N 3.49Å
9I71.5Confident66.1Low101 Ų101103.3 Ų103.352%0.51853%0.525SS..Hα-helixtrans-61.7-42.1177.1-69.7164.5000110.6E5 Y6 D7 Y11 I12 L13E5-I9 VanDerWaalsContact O-CB 3.31Å; E5-I9 WeakPolarHBondContact O-CB 3.42Å; E5-I9 WeakPolarHBondContact O-CD1 3.41Å; E5-I9 WeakPolarHBondContact O-CG1 3.31Å; E5-I9 PolarHBondContact O-N 3.12Å; Y6-I9 PolarHBondContact O-N 3.09Å; D7-I9 PolarHBondContact O-N 2.99Å; I9-Y11 VanDerWaalsContact C-N 3.33Å; I9-Y11 PolarHBondContact O-N 3.03Å; I9-I12 PolarHBondContact O-N 2.87Å; I9-L13 VanDerWaalsContact O-CB 3.31Å; I9-L13 WeakPolarHBondContact O-CB 3.49Å; I9-L13 PolarHBondContact O-N 3.33Å
10K71.7Confident66.5Low114 Ų114104.6 Ų104.650%0.49653%0.531SS..Hα-helixtrans-61.4-42.6176.1-175.8-178.6177.2-176.20111.3Y6 D7 I8 L13 I14Y6-K10 VanDerWaalsContact O-CB 3.28Å; Y6-K10 WeakPolarHBondContact O-CB 3.33Å; Y6-K10 PolarHBondContact O-N 2.85Å; D7-K10 PolarHBondContact O-N 2.64Å; I8-K10 VanDerWaalsContact C-N 3.32Å; I8-K10 PolarHBondContact O-N 2.74Å; K10-L13 PolarHBondContact O-N 2.97Å; K10-I14 HydrophobicContact CD-CD1 4.46Å; K10-I14 HydrophobicContact CG-CD1 3.82Å; K10-I14 HydrophobicContact CG-CG1 4.45Å; K10-I14 WeakPolarHBondContact O-CB 3.37Å; K10-I14 VanDerWaalsContact O-CG1 3.28Å; K10-I14 WeakPolarHBondContact O-CG1 3.33Å; K10-I14 PolarHBondContact O-N 2.92Å
11Y72Confident66.7Low176 Ų176105 Ų10569%0.6953%0.532SS*.Hα-helixtrans-63.2-43.9174.2-83.7-70.3000111.8D7 I8 I9 L13 Y15D7-Y11 WeakPolarHBondContact O-CD2 3.09Å; D7-Y11 PolarHBondContact O-N 3.29Å; I8-Y11 PolarHBondContact O-N 2.65Å; I9-Y11 VanDerWaalsContact C-N 3.33Å; I9-Y11 PolarHBondContact O-N 3.03Å; Y11-L13 VanDerWaalsContact C-N 3.31Å; Y11-L13 PolarHBondContact O-N 3.46Å; Y11-Y15 WeakPolarHBondContact O-CB 3.34Å; Y11-Y15 PolarHBondContact O-N 2.93Å
12I77.1Confident68.3Low103 Ų10396.7 Ų96.753%0.52849%0.494SS..Hα-helixtrans-62-39.4176.2-67.4165.9000111.2I8 I9 Y15 S16I8-I12 HydrophobicContact CG2-CD1 3.7Å; I8-I12 HydrophobicContact CG2-CG1 4.34Å; I8-I12 VanDerWaalsContact O-CG1 3.26Å; I8-I12 WeakPolarHBondContact O-CG1 3.43Å; I8-I12 PolarHBondContact O-N 3.49Å; I9-I12 PolarHBondContact O-N 2.87Å; I12-Y15 WeakPolarHBondContact O-CB 3.41Å; I12-Y15 PolarHBondContact O-N 3.18Å; I12-S16 PolarHBondContact O-N 2.9Å
13L74.9Confident69.5Low100 Ų10096 Ų9652%0.52448%0.483SS..Hα-helixtrans-74.8-44-178.2-171.7124.6000112.6I9 K10 Y11 Y15 S16 I17I9-L13 VanDerWaalsContact O-CB 3.31Å; I9-L13 WeakPolarHBondContact O-CB 3.49Å; I9-L13 PolarHBondContact O-N 3.33Å; K10-L13 PolarHBondContact O-N 2.97Å; Y11-L13 VanDerWaalsContact C-N 3.31Å; Y11-L13 PolarHBondContact O-N 3.46Å; L13-Y15 PolarHBondContact O-N 2.92Å; L13-S16 PolarHBondContact O-N 3.47Å; L13-S16 PolarHBondContact O-OG 3.36Å; L13-I17 HydrophobicContact CD2-CD1 4.06Å; L13-I17 WeakPolarHBondContact O-CD1 3.43Å; L13-I17 VanDerWaalsContact O-CG1 3.28Å; L13-I17 WeakPolarHBondContact O-CG1 2.84Å; L13-I17 PolarHBondContact O-N 3.5Å; L13-I17 VanDerWaalsContact O-N 3.14Å
14I79.4Confident70.2Confident84 Ų8496.1 Ų96.143%0.43147%0.469SS..Hα-helixtrans-59.2-39.5170.5-68.7167.4000109.2K10 I17 T18K10-I14 HydrophobicContact CD-CD1 4.46Å; K10-I14 HydrophobicContact CG-CD1 3.82Å; K10-I14 HydrophobicContact CG-CG1 4.45Å; K10-I14 WeakPolarHBondContact O-CB 3.37Å; K10-I14 VanDerWaalsContact O-CG1 3.28Å; K10-I14 WeakPolarHBondContact O-CG1 3.33Å; K10-I14 PolarHBondContact O-N 2.92Å; I14-I17 PolarHBondContact O-N 3.37Å; I14-T18 WeakPolarHBondContact O-CG2 3.39Å; I14-T18 PolarHBondContact O-N 2.94Å; I14-T18 PolarHBondContact O-OG1 3.47Å
15Y69.4Low70.8Confident73 Ų7398 Ų9829%0.28648%0.476SS..Hα-helixtrans-66.2-46179177.2-105.9000113.2Y11 I12 L13 I17 T18 I19 F74Y11-Y15 WeakPolarHBondContact O-CB 3.34Å; Y11-Y15 PolarHBondContact O-N 2.93Å; I12-Y15 WeakPolarHBondContact O-CB 3.41Å; I12-Y15 PolarHBondContact O-N 3.18Å; L13-Y15 PolarHBondContact O-N 2.92Å; Y15-I17 VanDerWaalsContact C-N 3.26Å; Y15-I17 PolarHBondContact O-N 2.99Å; Y15-T18 WeakPolarHBondContact CA-OG1 3.42Å; Y15-T18 PolarHBondContact O-N 3.15Å; Y15-T18 VanDerWaalsContact O-N 3.07Å; Y15-T18 PolarHBondContact O-OG1 2.79Å; Y15-I19 HydrophobicContact CD1-CD1 3.77Å; Y15-I19 HydrophobicContact CD1-CG1 4.36Å; Y15-I19 HydrophobicContact CD2-CG1 4.48Å; Y15-I19 HydrophobicContact CE1-CD1 3.01Å; Y15-I19 HydrophobicContact CE1-CG1 3.7Å; Y15-I19 HydrophobicContact CE2-CD1 4.11Å; Y15-I19 HydrophobicContact CE2-CG1 3.82Å; Y15-I19 PolarHBondContact O-N 3.28Å; Y15-I19 VanDerWaalsContact OH-CD1 3.25Å; Y15-I19 WeakPolarHBondContact OH-CD1 3.2Å; Y15-I19 WeakPolarHBondContact OH-CG1 3.18Å; Y15-F74 AromaticContact CD1-CE2 3.78Å; Y15-F74 HydrophobicContact CD1-CE2 3.78Å; Y15-F74 AromaticContact CD1-CZ 3.78Å; Y15-F74 HydrophobicContact CD1-CZ 3.78Å; Y15-F74 HydrophobicContact CD2-CD2 4.05Å; Y15-F74 AromaticContact CD2-CE2 3.65Å; Y15-F74 HydrophobicContact CD2-CE2 3.65Å; Y15-F74 HydrophobicContact CD2-CZ 4.41Å; Y15-F74 HydrophobicContact CE1-CD2 4.11Å; Y15-F74 AromaticContact CE1-CE1 3.73Å; Y15-F74 HydrophobicContact CE1-CE1 3.73Å; Y15-F74 AromaticContact CE1-CE2 3.22Å; Y15-F74 HydrophobicContact CE1-CE2 3.22Å; Y15-F74 AromaticContact CE1-CZ 2.95Å; Y15-F74 HydrophobicContact CE1-CZ 2.95Å; Y15-F74 AromaticContact CE2-CD2 3.24Å; Y15-F74 HydrophobicContact CE2-CD2 3.24Å; Y15-F74 HydrophobicContact CE2-CE1 4.46Å; Y15-F74 AromaticContact CE2-CE2 3.1Å; Y15-F74 HydrophobicContact CE2-CE2 3.1Å; Y15-F74 HydrophobicContact CE2-CG 4.02Å; Y15-F74 AromaticContact CE2-CZ 3.75Å; Y15-F74 HydrophobicContact CE2-CZ 3.75Å; Y15-F74 AromaticContact CG-CE2 3.97Å; Y15-F74 HydrophobicContact CG-CE2 3.97Å; Y15-F74 HydrophobicContact CG-CZ 4.43Å; Y15-F74 AromaticContact CZ-CD1 3.9Å; Y15-F74 AromaticContact CZ-CD2 3.29Å; Y15-F74 AromaticContact CZ-CE1 3.51Å; Y15-F74 AromaticContact CZ-CE2 2.87Å; Y15-F74 AromaticContact CZ-CG 3.79Å; Y15-F74 AromaticContact CZ-CZ 2.97Å; Y15-F74 WeakPolarHBondContact OH-CD1 3.46Å; Y15-F74 VanDerWaalsContact OH-CD2 3.28Å; Y15-F74 WeakPolarHBondContact OH-CD2 3.32Å; Y15-F74 WeakPolarHBondContact OH-CE1 3.38Å; Y15-F74 WeakPolarHBondContact OH-CE2 3.21Å; Y15-F74 VanDerWaalsContact OH-CG 3.23Å; Y15-F74 WeakPolarHBondContact OH-CG 3.38Å; Y15-F74 WeakPolarHBondContact OH-CZ 3.22Å
16S75.2Confident71.2Confident55 Ų5594.8 Ų94.839%0.38546%0.463SS..Hα-helixtrans-60-38.9176.366.70000111.4I12 L13 I19 M20I12-S16 PolarHBondContact O-N 2.9Å; L13-S16 PolarHBondContact O-N 3.47Å; L13-S16 PolarHBondContact O-OG 3.36Å; S16-I19 PolarHBondContact O-N 2.85Å; S16-M20 WeakPolarHBondContact O-CB 3.49Å; S16-M20 WeakPolarHBondContact O-CG 3.43Å; S16-M20 PolarHBondContact O-N 3.33Å
17I77.4Confident71.4Confident103 Ų10390 Ų9053%0.52846%0.455SS..Hα-helixtrans-63-44.4173.5-65.2166.1000110.9L13 I14 Y15 M20 M21L13-I17 HydrophobicContact CD2-CD1 4.06Å; L13-I17 WeakPolarHBondContact O-CD1 3.43Å; L13-I17 VanDerWaalsContact O-CG1 3.28Å; L13-I17 WeakPolarHBondContact O-CG1 2.84Å; L13-I17 PolarHBondContact O-N 3.5Å; L13-I17 VanDerWaalsContact O-N 3.14Å; I14-I17 PolarHBondContact O-N 3.37Å; Y15-I17 VanDerWaalsContact C-N 3.26Å; Y15-I17 PolarHBondContact O-N 2.99Å; I17-M20 PolarHBondContact O-N 2.65Å; I17-M21 WeakPolarHBondContact O-CB 2.94Å; I17-M21 PolarHBondContact O-N 3.39Å
18T77.6Confident71Confident68 Ų6886.2 Ų86.242%0.41744%0.436SS..Hα-helixtrans-66.2-39.4178.355.30000113.4I14 Y15 M21 V22I14-T18 WeakPolarHBondContact O-CG2 3.39Å; I14-T18 PolarHBondContact O-N 2.94Å; I14-T18 PolarHBondContact O-OG1 3.47Å; Y15-T18 WeakPolarHBondContact CA-OG1 3.42Å; Y15-T18 PolarHBondContact O-N 3.15Å; Y15-T18 VanDerWaalsContact O-N 3.07Å; Y15-T18 PolarHBondContact O-OG1 2.79Å; T18-M21 PolarHBondContact O-N 3.06Å; T18-V22 WeakPolarHBondContact O-CG2 3.27Å; T18-V22 PolarHBondContact O-N 2.92Å
19I76.8Confident70.2Confident57 Ų5787.5 Ų87.529%0.29244%0.44SS..Hα-helixtrans-61-49.9172.7-65.5164.7000109.8Y15 S16 M21 V22 I23Y15-I19 HydrophobicContact CD1-CD1 3.77Å; Y15-I19 HydrophobicContact CD1-CG1 4.36Å; Y15-I19 HydrophobicContact CD2-CG1 4.48Å; Y15-I19 HydrophobicContact CE1-CD1 3.01Å; Y15-I19 HydrophobicContact CE1-CG1 3.7Å; Y15-I19 HydrophobicContact CE2-CD1 4.11Å; Y15-I19 HydrophobicContact CE2-CG1 3.82Å; Y15-I19 PolarHBondContact O-N 3.28Å; Y15-I19 VanDerWaalsContact OH-CD1 3.25Å; Y15-I19 WeakPolarHBondContact OH-CD1 3.2Å; Y15-I19 WeakPolarHBondContact OH-CG1 3.18Å; S16-I19 PolarHBondContact O-N 2.85Å; I19-M21 PolarHBondContact O-N 3.47Å; I19-V22 PolarHBondContact O-N 2.87Å; I19-V22 VanDerWaalsContact O-N 3.13Å; I19-I23 HydrophobicContact CG2-CD1 3.43Å; I19-I23 VanDerWaalsContact CG2-CD1 3.43Å; I19-I23 HydrophobicContact CG2-CG1 3.93Å; I19-I23 WeakPolarHBondContact O-CB 3.25Å; I19-I23 WeakPolarHBondContact O-CG1 3.13Å; I19-I23 PolarHBondContact O-N 2.81Å
20M73.6Confident69.2Low129 Ų12986 Ų8664%0.63543%0.433SS*.Hα-helixtrans-57.9-39.2-180-71.7-61.2-6700110.7S16 I17 Y24S16-M20 WeakPolarHBondContact O-CB 3.49Å; S16-M20 WeakPolarHBondContact O-CG 3.43Å; S16-M20 PolarHBondContact O-N 3.33Å; I17-M20 PolarHBondContact O-N 2.65Å; M20-Y24 WeakPolarHBondContact O-CB 3.21Å; M20-Y24 PolarHBondContact O-N 3.01Å
21M71.2Confident68.2Low114 Ų11485.7 Ų85.756%0.56243%0.429SS*.Hα-helixtrans-67.1-42.3176-161.7-139.2-178.100112.8I17 T18 I19 Y24 L25I17-M21 WeakPolarHBondContact O-CB 2.94Å; I17-M21 PolarHBondContact O-N 3.39Å; T18-M21 PolarHBondContact O-N 3.06Å; I19-M21 PolarHBondContact O-N 3.47Å; M21-Y24 PolarHBondContact O-N 3.26Å; M21-L25 HydrophobicContact CE-CD1 3.83Å; M21-L25 HydrophobicContact CE-CG 4.47Å; M21-L25 HydrophobicContact CG-CD1 4.27Å; M21-L25 WeakPolarHBondContact O-CB 3.32Å; M21-L25 VanDerWaalsContact O-CG 3.29Å; M21-L25 WeakPolarHBondContact O-CG 3.47Å; M21-L25 PolarHBondContact O-N 2.96Å; M21-L25 HydrophobicContact SD-CD1 3.93Å
22V72.4Confident67Low57 Ų5782.5 Ų82.535%0.34542%0.423SS..Hα-helixtrans-67.4-43177173.10000111T18 I19 Y24 L25 V26 F67T18-V22 WeakPolarHBondContact O-CG2 3.27Å; T18-V22 PolarHBondContact O-N 2.92Å; I19-V22 PolarHBondContact O-N 2.87Å; I19-V22 VanDerWaalsContact O-N 3.13Å; V22-Y24 VanDerWaalsContact C-N 3.32Å; V22-Y24 PolarHBondContact O-N 3.11Å; V22-L25 PolarHBondContact O-N 3.32Å; V22-V26 HydrophobicContact CG1-CG2 4.31Å; V22-V26 VanDerWaalsContact O-CB 3.3Å; V22-V26 WeakPolarHBondContact O-CB 3.31Å; V22-V26 WeakPolarHBondContact O-CG2 3.37Å; V22-V26 PolarHBondContact O-N 2.74Å; V22-F67 HydrophobicContact CG1-CE1 4.12Å
23I70.5Confident65.8Low78 Ų7881.5 Ų81.540%0.442%0.418SS..Hα-helixtrans-60.5-45173.5-67175.2000109.6I19 V26 S27I19-I23 HydrophobicContact CG2-CD1 3.43Å; I19-I23 VanDerWaalsContact CG2-CD1 3.43Å; I19-I23 HydrophobicContact CG2-CG1 3.93Å; I19-I23 WeakPolarHBondContact O-CB 3.25Å; I19-I23 WeakPolarHBondContact O-CG1 3.13Å; I19-I23 PolarHBondContact O-N 2.81Å; I23-V26 PolarHBondContact O-N 2.98Å; I23-S27 VanDerWaalsContact O-CB 3.27Å; I23-S27 WeakPolarHBondContact O-CB 3.33Å; I23-S27 PolarHBondContact O-N 3.09Å; I23-S27 PolarHBondContact O-OG 2.75Å; I23-S27 VanDerWaalsContact O-OG 3.09Å
24Y63.9Low64.8Low110 Ų11080.9 Ų80.943%0.43142%0.419SS..Hα-helixtrans-59.9-49.8177.8-177.8-91.3000111.9M20 M21 V22 V26 S27 G28 E29M20-Y24 WeakPolarHBondContact O-CB 3.21Å; M20-Y24 PolarHBondContact O-N 3.01Å; M21-Y24 PolarHBondContact O-N 3.26Å; V22-Y24 VanDerWaalsContact C-N 3.32Å; V22-Y24 PolarHBondContact O-N 3.11Å; Y24-V26 VanDerWaalsContact C-N 3.26Å; Y24-V26 PolarHBondContact O-N 3.29Å; Y24-S27 PolarHBondContact O-N 3.41Å; Y24-G28 PolarHBondContact O-N 3.41Å; Y24-G28 VanDerWaalsContact O-N 3.14Å; Y24-E29 VanDerWaalsContact CE2-OE2 3.22Å; Y24-E29 WeakPolarHBondContact CE2-OE2 3.17Å
25L63.7Low63.5Low88 Ų8880.5 Ų80.546%0.46142%0.418SS..Hα-helixtrans-60.6-34176.9-76.1167.5000112.8M21 V22M21-L25 HydrophobicContact CE-CD1 3.83Å; M21-L25 HydrophobicContact CE-CG 4.47Å; M21-L25 HydrophobicContact CG-CD1 4.27Å; M21-L25 WeakPolarHBondContact O-CB 3.32Å; M21-L25 VanDerWaalsContact O-CG 3.29Å; M21-L25 WeakPolarHBondContact O-CG 3.47Å; M21-L25 PolarHBondContact O-N 2.96Å; M21-L25 HydrophobicContact SD-CD1 3.93Å; V22-L25 PolarHBondContact O-N 3.32Å
26V63.1Low62.8Low43 Ų4381.8 Ų81.826%0.26143%0.426SS..Hα-helixtrans-85.8-36.2-178.6173.10000113.1V22 I23 Y24 G28 T63 F67V22-V26 HydrophobicContact CG1-CG2 4.31Å; V22-V26 VanDerWaalsContact O-CB 3.3Å; V22-V26 WeakPolarHBondContact O-CB 3.31Å; V22-V26 WeakPolarHBondContact O-CG2 3.37Å; V22-V26 PolarHBondContact O-N 2.74Å; I23-V26 PolarHBondContact O-N 2.98Å; Y24-V26 VanDerWaalsContact C-N 3.26Å; Y24-V26 PolarHBondContact O-N 3.29Å; V26-G28 PolarHBondContact O-N 3.26Å; V26-T63 HydrophobicContact CG1-CG2 3.35Å; V26-F67 HydrophobicContact CB-CE2 4.3Å; V26-F67 HydrophobicContact CB-CZ 3.83Å; V26-F67 HydrophobicContact CG1-CE2 3.54Å; V26-F67 HydrophobicContact CG1-CZ 3.57Å; V26-F67 HydrophobicContact CG2-CE2 4.33Å; V26-F67 HydrophobicContact CG2-CZ 3.83Å
27S64.1Low61.9Low71 Ų7183.5 Ų83.550%0.49743%0.431SS..Hα-helixtrans-58.7-28.7170-73.20000110.6I23 Y24 E29 Y31I23-S27 VanDerWaalsContact O-CB 3.27Å; I23-S27 WeakPolarHBondContact O-CB 3.33Å; I23-S27 PolarHBondContact O-N 3.09Å; I23-S27 PolarHBondContact O-OG 2.75Å; I23-S27 VanDerWaalsContact O-OG 3.09Å; Y24-S27 PolarHBondContact O-N 3.41Å; S27-E29 PolarHBondContact O-N 2.95Å; S27-Y31 WeakPolarHBondContact O-CE1 3.3Å; S27-Y31 PolarHBondContact O-OH 2.95Å
28G54.6Low60.8Low3 Ų383.4 Ų83.43%0.03143%0.431CS..THydrogen-bonded Turntrans62.741.3163.400000113.6Y24 V26 D30 Y31Y24-G28 PolarHBondContact O-N 3.41Å; Y24-G28 VanDerWaalsContact O-N 3.14Å; V26-G28 PolarHBondContact O-N 3.26Å; G28-D30 PolarHBondContact O-N 3.45Å; G28-D30 VanDerWaalsContact O-N 3.11Å; G28-Y31 VanDerWaalsContact C-CD1 3.47Å; G28-Y31 WeakPolarHBondContact O-CD1 3.47Å; G28-Y31 WeakPolarHBondContact O-CE1 3.43Å; G28-Y31 VanDerWaalsContact O-CZ 3.3Å; G28-Y31 PolarHBondContact O-N 3.25Å
29E53.7Low59.7Low111 Ų11182.9 Ų82.952%0.51943%0.43SS..Hα-helixtrans-49.5-32160.3-73.8177.2159.200110.8Y24 S27 Y31 L32 I33Y24-E29 VanDerWaalsContact CE2-OE2 3.22Å; Y24-E29 WeakPolarHBondContact CE2-OE2 3.17Å; S27-E29 PolarHBondContact O-N 2.95Å; E29-Y31 PolarHBondContact O-N 2.97Å; E29-L32 PolarHBondContact O-N 3.25Å; E29-I33 VanDerWaalsContact O-CG1 3.32Å; E29-I33 WeakPolarHBondContact O-CG1 3.29Å; E29-I33 PolarHBondContact O-N 2.87Å
30D51.8Low58.9Low69 Ų6986.6 Ų86.637%0.36944%0.444SS..Hα-helixtrans-65.8-29.7175.4-63.5-26.2000114.4G28 T34G28-D30 PolarHBondContact O-N 3.45Å; G28-D30 VanDerWaalsContact O-N 3.11Å; D30-T34 WeakPolarHBondContact O-CB 3.38Å; D30-T34 VanDerWaalsContact O-CG2 3.25Å; D30-T34 WeakPolarHBondContact O-CG2 3.19Å; D30-T34 PolarHBondContact O-N 2.93Å; D30-T34 PolarHBondContact O-OG1 3.34Å
31Y48.9Very low58.1Low108 Ų10887.8 Ų87.842%0.42445%0.453SS..Hα-helixtrans-76.5-29.9176.267.8-109000111.8S27 G28 E29 T34 N35S27-Y31 WeakPolarHBondContact O-CE1 3.3Å; S27-Y31 PolarHBondContact O-OH 2.95Å; G28-Y31 VanDerWaalsContact C-CD1 3.47Å; G28-Y31 WeakPolarHBondContact O-CD1 3.47Å; G28-Y31 WeakPolarHBondContact O-CE1 3.43Å; G28-Y31 VanDerWaalsContact O-CZ 3.3Å; G28-Y31 PolarHBondContact O-N 3.25Å; E29-Y31 PolarHBondContact O-N 2.97Å; Y31-T34 WeakPolarHBondContact CA-OG1 3.34Å; Y31-T34 PolarHBondContact O-OG1 3.32Å; Y31-N35 WeakPolarHBondContact O-CB 3.41Å; Y31-N35 PolarHBondContact O-N 2.99Å; Y31-N35 PolarHBondContact O-ND2 3.06Å
32L48.2Very low57.3Low108 Ų10886.8 Ų86.857%0.56545%0.453SS*.Hα-helixtrans-71.2-44.6175.2-92.8150.6000110.3E29 N35 E36E29-L32 PolarHBondContact O-N 3.25Å; L32-N35 PolarHBondContact O-N 3.49Å; L32-E36 WeakPolarHBondContact O-CB 3.5Å; L32-E36 PolarHBondContact O-N 3.45Å
33I51.2Low56.1Low83 Ų8387.3 Ų87.343%0.42647%0.47SS..Hα-helixtrans-67.2-43.9179.4-62.6163.9000111.2E29 N35 E36 D37E29-I33 VanDerWaalsContact O-CG1 3.32Å; E29-I33 WeakPolarHBondContact O-CG1 3.29Å; E29-I33 PolarHBondContact O-N 2.87Å; I33-N35 VanDerWaalsContact C-N 3.33Å; I33-N35 PolarHBondContact O-N 3.2Å; I33-E36 PolarHBondContact O-N 3.29Å; I33-E36 VanDerWaalsContact O-N 3.15Å; I33-D37 WeakPolarHBondContact O-CB 3.29Å; I33-D37 PolarHBondContact O-N 3.14Å
34T53.3Low55.2Low86 Ų8686.3 Ų86.353%0.52847%0.47SS..Hα-helixtrans-64.7-35.7178.948.50000112.9D30 Y31 L38D30-T34 WeakPolarHBondContact O-CB 3.38Å; D30-T34 VanDerWaalsContact O-CG2 3.25Å; D30-T34 WeakPolarHBondContact O-CG2 3.19Å; D30-T34 PolarHBondContact O-N 2.93Å; D30-T34 PolarHBondContact O-OG1 3.34Å; Y31-T34 WeakPolarHBondContact CA-OG1 3.34Å; Y31-T34 PolarHBondContact O-OG1 3.32Å; T34-L38 WeakPolarHBondContact O-CB 3.28Å; T34-L38 PolarHBondContact O-N 2.99Å
35N53Low54.3Low76 Ų7687.1 Ų87.141%0.40649%0.486SS..Hα-helixtrans-70.8-36.8172.8-75.9-47.1000112.1Y31 L32 I33 S39Y31-N35 WeakPolarHBondContact O-CB 3.41Å; Y31-N35 PolarHBondContact O-N 2.99Å; Y31-N35 PolarHBondContact O-ND2 3.06Å; L32-N35 PolarHBondContact O-N 3.49Å; I33-N35 VanDerWaalsContact C-N 3.33Å; I33-N35 PolarHBondContact O-N 3.2Å; N35-S39 VanDerWaalsContact O-CB 3.31Å; N35-S39 WeakPolarHBondContact O-CB 3.45Å; N35-S39 PolarHBondContact O-N 3.13Å; N35-S39 PolarHBondContact O-OG 2.8Å
36E55.2Low53.3Low101 Ų10189.3 Ų89.347%0.47250%0.504SS..Hα-helixtrans-67.2-45.4176.2-167.1179.2154.400111.4L32 I33 S39 K40L32-E36 WeakPolarHBondContact O-CB 3.5Å; L32-E36 PolarHBondContact O-N 3.45Å; I33-E36 PolarHBondContact O-N 3.29Å; I33-E36 VanDerWaalsContact O-N 3.15Å; E36-S39 PolarHBondContact O-N 3.45Å; E36-S39 PolarHBondContact O-OG 2.95Å; E36-K40 WeakPolarHBondContact O-CG 3.35Å; E36-K40 PolarHBondContact O-N 3.44Å; E36-K40 WeakPolarHBondContact OE1-CE 3.35Å; E36-K40 IonicContact OE1-NZ 2.64Å; E36-K40 PolarHBondContact OE1-NZ 3.5Å
37D55.2Low52.4Low90 Ų9092.3 Ų92.348%0.48152%0.522SS..Hα-helixtrans-65.7-39.8177.2-77.6-19.1000111.6I33 S39 K40 L41I33-D37 WeakPolarHBondContact O-CB 3.29Å; I33-D37 PolarHBondContact O-N 3.14Å; D37-S39 VanDerWaalsContact C-N 3.32Å; D37-S39 PolarHBondContact O-N 2.83Å; D37-K40 PolarHBondContact O-N 2.86Å; D37-L41 WeakPolarHBondContact O-CB 3.35Å; D37-L41 PolarHBondContact O-N 3.34Å
38L53.9Low51.5Low101 Ų10197.1 Ų97.153%0.52954%0.537SS..Hα-helixtrans-63.9-38.5173-169.567.2000111.4T34 L41 T42T34-L38 WeakPolarHBondContact O-CB 3.28Å; T34-L38 PolarHBondContact O-N 2.99Å; L38-L41 PolarHBondContact O-N 3.36Å; L38-T42 WeakPolarHBondContact O-CB 3.44Å; L38-T42 PolarHBondContact O-N 2.8Å; L38-T42 PolarHBondContact O-OG1 3.28Å
39S55.9Low51.4Low57 Ų57101.6 Ų101.640%0.39956%0.563SS.*Hα-helixtrans-65.8-37176.1790000112.5N35 E36 D37 G43N35-S39 VanDerWaalsContact O-CB 3.31Å; N35-S39 WeakPolarHBondContact O-CB 3.45Å; N35-S39 PolarHBondContact O-N 3.13Å; N35-S39 PolarHBondContact O-OG 2.8Å; E36-S39 PolarHBondContact O-N 3.45Å; E36-S39 PolarHBondContact O-OG 2.95Å; D37-S39 VanDerWaalsContact C-N 3.32Å; D37-S39 PolarHBondContact O-N 2.83Å; S39-G43 PolarHBondContact O-N 3.34Å
40K58.7Low51.6Low135 Ų135101.5 Ų101.559%0.58757%0.571SS**Hα-helixtrans-69.2-38.7173.5-75175.5-175157.10112E36 D37E36-K40 WeakPolarHBondContact O-CG 3.35Å; E36-K40 PolarHBondContact O-N 3.44Å; E36-K40 WeakPolarHBondContact OE1-CE 3.35Å; E36-K40 IonicContact OE1-NZ 2.64Å; E36-K40 PolarHBondContact OE1-NZ 3.5Å; D37-K40 PolarHBondContact O-N 2.86Å
41L58Low52Low155 Ų155102.4 Ų102.481%0.81258%0.575SS**Hα-helixtrans-71.1-32.7-179.8-147.376.6000112.4D37 L38D37-L41 WeakPolarHBondContact O-CB 3.35Å; D37-L41 PolarHBondContact O-N 3.34Å; L38-L41 PolarHBondContact O-N 3.36Å
42T54.1Low52.9Low92 Ų92102 Ų10256%0.56458%0.58SS**Hα-helixtrans-95.4-1.4-173.7-30.40000113.3L38 S44L38-T42 WeakPolarHBondContact O-CB 3.44Å; L38-T42 PolarHBondContact O-N 2.8Å; L38-T42 PolarHBondContact O-OG1 3.28Å; T42-S44 PolarHBondContact O-N 3.46Å
43G48.2Very low54.1Low69 Ų69101.1 Ų101.171%0.71158%0.58SS**THydrogen-bonded Turntrans5911.817400000114.9S39 T45S39-G43 PolarHBondContact O-N 3.34Å; G43-T45 PolarHBondContact O-N 2.9Å
44S50.8Low55.4Low57 Ų57103.6 Ų103.640%0.39959%0.593SS.*  trans-88.1108.7-175.357.30000109.8T42 T46T42-S44 PolarHBondContact O-N 3.46Å; S44-T46 PolarHBondContact O-N 3.31Å; S44-T46 VanDerWaalsContact O-N 3.14Å
45T43.9Very low56.5Low126 Ų126104.9 Ų104.977%0.77360%0.596SS**  trans-41.5113.3165.729.70000111.7G43 T47G43-T45 PolarHBondContact O-N 2.9Å; T45-T47 PolarHBondContact O-N 3.35Å
46T42.8Very low57.7Low135 Ų135104.2 Ų104.283%0.82859%0.592SS**  trans35.459.4150.926.30000115.7S44 Q48S44-T46 PolarHBondContact O-N 3.31Å; S44-T46 VanDerWaalsContact O-N 3.14Å; T46-Q48 VanDerWaalsContact C-N 3.3Å; T46-Q48 PolarHBondContact O-N 3.2Å; T46-Q48 VanDerWaalsContact O-N 3.12Å
47T45.2Very low58.8Low105 Ų105104 Ų10464%0.64459%0.591SS**  trans-70.9101.6146.345.50000105.4T45 T49T45-T47 PolarHBondContact O-N 3.35Å; T47-T49 VanDerWaalsContact C-N 3.3Å; T47-T49 PolarHBondContact O-N 3.45Å
48Q45.1Very low59.9Low173 Ų173103.1 Ų103.181%0.80859%0.593SS**  trans-45.4107.8156.5-79.4176.6-20.800105.8T46 T50T46-Q48 VanDerWaalsContact C-N 3.3Å; T46-Q48 PolarHBondContact O-N 3.2Å; T46-Q48 VanDerWaalsContact O-N 3.12Å; Q48-T50 PolarHBondContact O-N 2.94Å
49T52.3Low61.1Low96 Ų96104 Ų10459%0.58959%0.589SS**  trans-70.379.7175.541.70000106T47 I51T47-T49 VanDerWaalsContact C-N 3.3Å; T47-T49 PolarHBondContact O-N 3.45Å; T49-I51 PolarHBondContact O-N 2.92Å
50T57.5Low62.4Low110 Ų110108.1 Ų108.168%0.67560%0.596SS**  trans-64.186162.3-54.50000104.9Q48 D52Q48-T50 PolarHBondContact O-N 2.94Å; T50-D52 PolarHBondContact O-N 3.32Å; T50-D52 VanDerWaalsContact O-N 3.12Å
51I60.6Low63.5Low87 Ų87107.1 Ų107.145%0.44659%0.592SS.*  trans-54.4120.7169.7-62.7167000105.2T49 P53 L56T49-I51 PolarHBondContact O-N 2.92Å; I51-P53 VanDerWaalsContact O-N 3.13Å; I51-L56 HydrophobicContact CG2-CB 4.01Å; I51-L56 HydrophobicContact CG2-CD1 4.49Å
52D67.3Low64.6Low101 Ų101105 Ų10554%0.5458%0.582SS.*  trans-50.8124.8-179.9-78-38.5000109.2T50 I54 L55 L56T50-D52 PolarHBondContact O-N 3.32Å; T50-D52 VanDerWaalsContact O-N 3.12Å; D52-I54 PolarHBondContact O-N 3.05Å; D52-L55 HydrophobicContact CB-CB 4.45Å; D52-L55 HydrophobicContact CB-CD1 4.28Å; D52-L55 HydrophobicContact CB-CG 4.41Å; D52-L55 PolarHBondContact O-N 3.31Å; D52-L56 PolarHBondContact O-N 3.41Å; D52-L56 VanDerWaalsContact O-N 3.09Å
53P75.1Confident65.9Low88 Ų88101.8 Ų101.857%0.57156%0.562SS**Hα-helixtrans-58.8-27.5-173.621.3-32.6000112.2I51 L56 E57I51-P53 VanDerWaalsContact O-N 3.13Å; P53-L56 PolarHBondContact O-N 2.96Å; P53-E57 WeakPolarHBondContact O-CB 3.25Å; P53-E57 PolarHBondContact O-N 2.82Å
54I77.6Confident67.6Low136 Ų136103.2 Ų103.270%0.69755%0.552SS**Hα-helixtrans-66.3-45176.9-59.1172.8000111.3D52 E57 S58D52-I54 PolarHBondContact O-N 3.05Å; I54-E57 PolarHBondContact O-N 3.48Å; I54-S58 WeakPolarHBondContact O-CB 3.39Å; I54-S58 PolarHBondContact O-N 2.74Å
55L75.9Confident69Low113 Ų113106.9 Ų106.959%0.59256%0.561SS**Hα-helixtrans-67.1-41.2176.9-75.6172.9000110.5D52 E57 S58 Y59D52-L55 HydrophobicContact CB-CB 4.45Å; D52-L55 HydrophobicContact CB-CD1 4.28Å; D52-L55 HydrophobicContact CB-CG 4.41Å; D52-L55 PolarHBondContact O-N 3.31Å; L55-E57 PolarHBondContact O-N 3.34Å; L55-S58 PolarHBondContact O-N 3.42Å; L55-Y59 WeakPolarHBondContact O-CB 3.04Å; L55-Y59 PolarHBondContact O-N 3.14Å
56L77.7Confident70.8Confident61 Ų61103.3 Ų103.332%0.31954%0.541SS..Hα-helixtrans-65.3-38.7177.8-17263.2000112.3I51 D52 P53 R60I51-L56 HydrophobicContact CG2-CB 4.01Å; I51-L56 HydrophobicContact CG2-CD1 4.49Å; D52-L56 PolarHBondContact O-N 3.41Å; D52-L56 VanDerWaalsContact O-N 3.09Å; P53-L56 PolarHBondContact O-N 2.96Å; L56-R60 WeakPolarHBondContact O-CB 3.12Å; L56-R60 WeakPolarHBondContact O-CG 3.23Å; L56-R60 PolarHBondContact O-N 3.07Å
57E80.1Confident72.7Confident96 Ų96100.9 Ų100.945%0.44952%0.519SS..Hα-helixtrans-69-42.4174.9-167.8-174.8166.100111.7P53 I54 L55 R60 K61P53-E57 WeakPolarHBondContact O-CB 3.25Å; P53-E57 PolarHBondContact O-N 2.82Å; I54-E57 PolarHBondContact O-N 3.48Å; L55-E57 PolarHBondContact O-N 3.34Å; E57-R60 PolarHBondContact O-N 3.32Å; E57-K61 HydrophobicContact CG-CD 4.41Å; E57-K61 WeakPolarHBondContact O-CB 3.22Å; E57-K61 WeakPolarHBondContact O-CG 3Å; E57-K61 PolarHBondContact O-N 3.4Å; E57-K61 WeakPolarHBondContact OE1-CE 3.28Å; E57-K61 IonicContact OE1-NZ 2.72Å; E57-K61 PolarHBondContact OE1-NZ 2.91Å
58S77.9Confident74.6Confident73 Ų73100.9 Ų100.951%0.5151%0.514SS..Hα-helixtrans-59.9-45.9174.9-174.40000111.5I54 L55 K61 N62I54-S58 WeakPolarHBondContact O-CB 3.39Å; I54-S58 PolarHBondContact O-N 2.74Å; L55-S58 PolarHBondContact O-N 3.42Å; S58-K61 PolarHBondContact O-N 2.88Å; S58-N62 WeakPolarHBondContact O-CB 2.85Å; S58-N62 PolarHBondContact O-N 2.92Å
59Y78.4Confident76.3Confident118 Ų11897.5 Ų97.546%0.46350%0.5SS..Hα-helixtrans-60.4-50.1176.1-170.7-92.9000111.1L55 K61 N62 T63L55-Y59 WeakPolarHBondContact O-CB 3.04Å; L55-Y59 PolarHBondContact O-N 3.14Å; Y59-K61 VanDerWaalsContact C-N 3.33Å; Y59-K61 PolarHBondContact O-N 3.43Å; Y59-N62 PolarHBondContact O-N 2.98Å; Y59-T63 WeakPolarHBondContact O-CB 3.1Å; Y59-T63 PolarHBondContact O-N 3Å; Y59-T63 PolarHBondContact O-OG1 2.99Å
60R83.2Confident77.8Confident145 Ų14599.1 Ų99.155%0.54750%0.499SS..Hα-helixtrans-56.2-45.4176.3-79.8-171.4-84.9-149.60.6112.3L56 E57 T63 I64L56-R60 WeakPolarHBondContact O-CB 3.12Å; L56-R60 WeakPolarHBondContact O-CG 3.23Å; L56-R60 PolarHBondContact O-N 3.07Å; E57-R60 PolarHBondContact O-N 3.32Å; R60-T63 PolarHBondContact O-N 3.14Å; R60-I64 WeakPolarHBondContact O-CB 3.49Å; R60-I64 WeakPolarHBondContact O-CD1 3.15Å; R60-I64 WeakPolarHBondContact O-CG1 3.31Å; R60-I64 PolarHBondContact O-N 3.44Å
61K82.3Confident79Confident113 Ų11395.8 Ų95.849%0.49149%0.487SS..Hα-helixtrans-63.4-43.4178-75.3176.6-176.8168.70112.2E57 S58 Y59 I64 K65E57-K61 HydrophobicContact CG-CD 4.41Å; E57-K61 WeakPolarHBondContact O-CB 3.22Å; E57-K61 WeakPolarHBondContact O-CG 3Å; E57-K61 PolarHBondContact O-N 3.4Å; E57-K61 WeakPolarHBondContact OE1-CE 3.28Å; E57-K61 IonicContact OE1-NZ 2.72Å; E57-K61 PolarHBondContact OE1-NZ 2.91Å; S58-K61 PolarHBondContact O-N 2.88Å; Y59-K61 VanDerWaalsContact C-N 3.33Å; Y59-K61 PolarHBondContact O-N 3.43Å; K61-I64 PolarHBondContact O-N 3.06Å; K61-K65 WeakPolarHBondContact O-CG 3.35Å; K61-K65 PolarHBondContact O-N 2.86Å
62N81.6Confident80.1Confident112 Ų11295.7 Ų95.760%0.59949%0.491SS*.Hα-helixtrans-67.5-40.5179.7-164.648.8000111.7S58 Y59 K65 S66S58-N62 WeakPolarHBondContact O-CB 2.85Å; S58-N62 PolarHBondContact O-N 2.92Å; Y59-N62 PolarHBondContact O-N 2.98Å; N62-K65 PolarHBondContact O-N 2.85Å; N62-S66 WeakPolarHBondContact O-CB 3.39Å; N62-S66 PolarHBondContact O-N 3.32Å
63T81.1Confident80.8Confident24 Ų2495.1 Ų95.115%0.14749%0.487CS..Hα-helixtrans-62-45.9175.6-63.50000111.6V26 Y59 R60 K65 S66 F67V26-T63 HydrophobicContact CG1-CG2 3.35Å; Y59-T63 WeakPolarHBondContact O-CB 3.1Å; Y59-T63 PolarHBondContact O-N 3Å; Y59-T63 PolarHBondContact O-OG1 2.99Å; R60-T63 PolarHBondContact O-N 3.14Å; T63-K65 PolarHBondContact O-N 3.31Å; T63-S66 WeakPolarHBondContact O-CB 2.95Å; T63-S66 PolarHBondContact O-N 2.9Å; T63-F67 HydrophobicContact CG2-CD2 3.76Å; T63-F67 HydrophobicContact CG2-CE2 3.43Å; T63-F67 VanDerWaalsContact CG2-CE2 3.43Å; T63-F67 HydrophobicContact CG2-CZ 4.48Å; T63-F67 WeakPolarHBondContact O-CD2 3.11Å; T63-F67 PolarHBondContact O-N 3.34Å
64I83.8Confident80.9Confident99 Ų9993.8 Ų93.851%0.50847%0.472SS..Hα-helixtrans-61-44176.1-68.4163.1000111R60 K61 S66 F67 I68R60-I64 WeakPolarHBondContact O-CB 3.49Å; R60-I64 WeakPolarHBondContact O-CD1 3.15Å; R60-I64 WeakPolarHBondContact O-CG1 3.31Å; R60-I64 PolarHBondContact O-N 3.44Å; K61-I64 PolarHBondContact O-N 3.06Å; I64-S66 VanDerWaalsContact C-N 3.34Å; I64-S66 PolarHBondContact O-N 3Å; I64-F67 PolarHBondContact O-N 3.5Å; I64-I68 HydrophobicContact CG2-CD1 3.82Å; I64-I68 HydrophobicContact CG2-CG1 4.45Å; I64-I68 VanDerWaalsContact O-CG1 3.31Å; I64-I68 WeakPolarHBondContact O-CG1 3.31Å; I64-I68 PolarHBondContact O-N 3.17Å
65K80.5Confident81.1Confident134 Ų13488.6 Ų88.658%0.58345%0.452SS*.Hα-helixtrans-60-44.4176.3-74.7177.5-177.6-178.40112K61 N62 T63 I68 I69K61-K65 WeakPolarHBondContact O-CG 3.35Å; K61-K65 PolarHBondContact O-N 2.86Å; N62-K65 PolarHBondContact O-N 2.85Å; T63-K65 PolarHBondContact O-N 3.31Å; K65-I68 PolarHBondContact O-N 3.36Å; K65-I69 WeakPolarHBondContact O-CG1 3.21Å; K65-I69 PolarHBondContact O-N 3.44Å
66S80.7Confident81.5Confident51 Ų5188.5 Ų88.536%0.35745%0.451SS..Hα-helixtrans-57.6-50.2176.3-172.80000110.8N62 T63 I64 I68 I69 F70N62-S66 WeakPolarHBondContact O-CB 3.39Å; N62-S66 PolarHBondContact O-N 3.32Å; T63-S66 WeakPolarHBondContact O-CB 2.95Å; T63-S66 PolarHBondContact O-N 2.9Å; I64-S66 VanDerWaalsContact C-N 3.34Å; I64-S66 PolarHBondContact O-N 3Å; S66-I68 VanDerWaalsContact C-N 3.34Å; S66-I68 PolarHBondContact O-N 3.34Å; S66-I69 PolarHBondContact O-N 3.45Å; S66-F70 WeakPolarHBondContact O-CD2 3.32Å; S66-F70 PolarHBondContact O-N 2.86Å; S66-F70 WeakPolarHBondContact OG-CD2 3.48Å; S66-F70 WeakPolarHBondContact OG-CE2 3.36Å
67F83.5Confident81.8Confident84 Ų8490 Ų9037%0.36846%0.458SS..Hα-helixtrans-60.4-39.1177.8-78.9-60.2000113.9V22 V26 T63 I64 G71V22-F67 HydrophobicContact CG1-CE1 4.12Å; V26-F67 HydrophobicContact CB-CE2 4.3Å; V26-F67 HydrophobicContact CB-CZ 3.83Å; V26-F67 HydrophobicContact CG1-CE2 3.54Å; V26-F67 HydrophobicContact CG1-CZ 3.57Å; V26-F67 HydrophobicContact CG2-CE2 4.33Å; V26-F67 HydrophobicContact CG2-CZ 3.83Å; T63-F67 HydrophobicContact CG2-CD2 3.76Å; T63-F67 HydrophobicContact CG2-CE2 3.43Å; T63-F67 VanDerWaalsContact CG2-CE2 3.43Å; T63-F67 HydrophobicContact CG2-CZ 4.48Å; T63-F67 WeakPolarHBondContact O-CD2 3.11Å; T63-F67 PolarHBondContact O-N 3.34Å; I64-F67 PolarHBondContact O-N 3.5Å; F67-G71 PolarHBondContact O-N 3.46Å
68I83.7Confident81.8Confident104 Ų10488.8 Ų88.853%0.53346%0.455SS..Hα-helixtrans-63.6-46.8177-68166.1000110.1I64 K65 S66 G71 V72I64-I68 HydrophobicContact CG2-CD1 3.82Å; I64-I68 HydrophobicContact CG2-CG1 4.45Å; I64-I68 VanDerWaalsContact O-CG1 3.31Å; I64-I68 WeakPolarHBondContact O-CG1 3.31Å; I64-I68 PolarHBondContact O-N 3.17Å; K65-I68 PolarHBondContact O-N 3.36Å; S66-I68 VanDerWaalsContact C-N 3.34Å; S66-I68 PolarHBondContact O-N 3.34Å; I68-G71 PolarHBondContact O-N 3.23Å; I68-V72 HydrophobicContact CG2-CG2 4.48Å; I68-V72 VanDerWaalsContact O-CG2 3.29Å; I68-V72 WeakPolarHBondContact O-CG2 3.43Å; I68-V72 PolarHBondContact O-N 2.82Å
69I82.3Confident82.1Confident102 Ų10289.9 Ų89.952%0.52346%0.455SS..Hα-helixtrans-62.9-48179.5-66.1166.1000110.5K65 S66 G71 V72 I73K65-I69 WeakPolarHBondContact O-CG1 3.21Å; K65-I69 PolarHBondContact O-N 3.44Å; S66-I69 PolarHBondContact O-N 3.45Å; I69-G71 VanDerWaalsContact C-N 3.35Å; I69-G71 PolarHBondContact O-N 3.36Å; I69-V72 PolarHBondContact O-N 2.9Å; I69-I73 HydrophobicContact CG2-CD1 3.75Å; I69-I73 WeakPolarHBondContact O-CG1 3.31Å; I69-I73 PolarHBondContact O-N 2.86Å
70F82.6Confident82.3Confident130 Ų13087 Ų8757%0.5746%0.455SS*.Hα-helixtrans-61.4-42.1176.7-83.1-69.4000112.1S66 F74S66-F70 WeakPolarHBondContact O-CD2 3.32Å; S66-F70 PolarHBondContact O-N 2.86Å; S66-F70 WeakPolarHBondContact OG-CD2 3.48Å; S66-F70 WeakPolarHBondContact OG-CE2 3.36Å; F70-F74 WeakPolarHBondContact O-CB 3.43Å; F70-F74 PolarHBondContact O-N 2.89Å
71G82.8Confident82.3Confident40 Ų4083.9 Ų83.941%0.41245%0.454SS..Hα-helixtrans-63-41177.300000113F67 I68 I69 G75F67-G71 PolarHBondContact O-N 3.46Å; I68-G71 PolarHBondContact O-N 3.23Å; I69-G71 VanDerWaalsContact C-N 3.35Å; I69-G71 PolarHBondContact O-N 3.36Å; G71-G75 PolarHBondContact O-N 3.26Å
72V84.4Confident82.4Confident86 Ų8686.7 Ų86.752%0.52146%0.462SS..Hα-helixtrans-67.5-50.3176.9171.10000111.2I68 I69 F74 G75 L76I68-V72 HydrophobicContact CG2-CG2 4.48Å; I68-V72 VanDerWaalsContact O-CG2 3.29Å; I68-V72 WeakPolarHBondContact O-CG2 3.43Å; I68-V72 PolarHBondContact O-N 2.82Å; I69-V72 PolarHBondContact O-N 2.9Å; V72-F74 PolarHBondContact O-N 3.47Å; V72-G75 PolarHBondContact O-N 2.9Å; V72-G75 VanDerWaalsContact O-N 3.17Å; V72-L76 HydrophobicContact CG1-CD1 4.32Å; V72-L76 WeakPolarHBondContact O-CG 3.28Å; V72-L76 PolarHBondContact O-N 3.36Å
73I82.2Confident82.6Confident89 Ų8985.2 Ų85.246%0.45645%0.453SS..Hα-helixtrans-58-42.3177.9-66.8169.1000109.9I69 L76 I77I69-I73 HydrophobicContact CG2-CD1 3.75Å; I69-I73 WeakPolarHBondContact O-CG1 3.31Å; I69-I73 PolarHBondContact O-N 2.86Å; I73-L76 PolarHBondContact O-N 3.31Å; I73-I77 HydrophobicContact CG2-CD1 3.9Å; I73-I77 WeakPolarHBondContact O-CG1 3.32Å; I73-I77 PolarHBondContact O-N 2.88Å
74F76.6Confident82.8Confident60 Ų6086.7 Ų86.726%0.26347%0.468SS..Hα-helixtrans-63.8-46.1176.2177.5-111.9000112.7Y15 F70 V72 L76 I77 N78Y15-F74 AromaticContact CD1-CE2 3.78Å; Y15-F74 HydrophobicContact CD1-CE2 3.78Å; Y15-F74 AromaticContact CD1-CZ 3.78Å; Y15-F74 HydrophobicContact CD1-CZ 3.78Å; Y15-F74 HydrophobicContact CD2-CD2 4.05Å; Y15-F74 AromaticContact CD2-CE2 3.65Å; Y15-F74 HydrophobicContact CD2-CE2 3.65Å; Y15-F74 HydrophobicContact CD2-CZ 4.41Å; Y15-F74 HydrophobicContact CE1-CD2 4.11Å; Y15-F74 AromaticContact CE1-CE1 3.73Å; Y15-F74 HydrophobicContact CE1-CE1 3.73Å; Y15-F74 AromaticContact CE1-CE2 3.22Å; Y15-F74 HydrophobicContact CE1-CE2 3.22Å; Y15-F74 AromaticContact CE1-CZ 2.95Å; Y15-F74 HydrophobicContact CE1-CZ 2.95Å; Y15-F74 AromaticContact CE2-CD2 3.24Å; Y15-F74 HydrophobicContact CE2-CD2 3.24Å; Y15-F74 HydrophobicContact CE2-CE1 4.46Å; Y15-F74 AromaticContact CE2-CE2 3.1Å; Y15-F74 HydrophobicContact CE2-CE2 3.1Å; Y15-F74 HydrophobicContact CE2-CG 4.02Å; Y15-F74 AromaticContact CE2-CZ 3.75Å; Y15-F74 HydrophobicContact CE2-CZ 3.75Å; Y15-F74 AromaticContact CG-CE2 3.97Å; Y15-F74 HydrophobicContact CG-CE2 3.97Å; Y15-F74 HydrophobicContact CG-CZ 4.43Å; Y15-F74 AromaticContact CZ-CD1 3.9Å; Y15-F74 AromaticContact CZ-CD2 3.29Å; Y15-F74 AromaticContact CZ-CE1 3.51Å; Y15-F74 AromaticContact CZ-CE2 2.87Å; Y15-F74 AromaticContact CZ-CG 3.79Å; Y15-F74 AromaticContact CZ-CZ 2.97Å; Y15-F74 WeakPolarHBondContact OH-CD1 3.46Å; Y15-F74 VanDerWaalsContact OH-CD2 3.28Å; Y15-F74 WeakPolarHBondContact OH-CD2 3.32Å; Y15-F74 WeakPolarHBondContact OH-CE1 3.38Å; Y15-F74 WeakPolarHBondContact OH-CE2 3.21Å; Y15-F74 VanDerWaalsContact OH-CG 3.23Å; Y15-F74 WeakPolarHBondContact OH-CG 3.38Å; Y15-F74 WeakPolarHBondContact OH-CZ 3.22Å; F70-F74 WeakPolarHBondContact O-CB 3.43Å; F70-F74 PolarHBondContact O-N 2.89Å; V72-F74 PolarHBondContact O-N 3.47Å; F74-L76 PolarHBondContact O-N 3.29Å; F74-I77 PolarHBondContact O-N 2.87Å; F74-I77 VanDerWaalsContact O-N 3.14Å; F74-N78 VanDerWaalsContact CD1-ND2 3.31Å; F74-N78 WeakPolarHBondContact CD1-ND2 3.46Å; F74-N78 WeakPolarHBondContact CD2-ND2 3.36Å; F74-N78 WeakPolarHBondContact CE1-ND2 3.26Å; F74-N78 WeakPolarHBondContact CE2-ND2 3.4Å; F74-N78 WeakPolarHBondContact CZ-ND2 3.28Å; F74-N78 PolarHBondContact O-N 3.48Å; F74-N78 PolarHBondContact O-ND2 2.87Å
75G82.2Confident82.9Confident27 Ų2784.9 Ų84.928%0.27846%0.464SS..Hα-helixtrans-53.9-44.4174.900000111.7G71 V72 N78 I79G71-G75 PolarHBondContact O-N 3.26Å; V72-G75 PolarHBondContact O-N 2.9Å; V72-G75 VanDerWaalsContact O-N 3.17Å; G75-N78 PolarHBondContact O-N 2.95Å; G75-I79 WeakPolarHBondContact O-CD1 3.26Å; G75-I79 WeakPolarHBondContact O-CG1 3.37Å; G75-I79 PolarHBondContact O-N 3.47Å
76L83.7Confident83.2Confident110 Ų11081.6 Ų81.658%0.57645%0.452SS*.Hα-helixtrans-64.8-41.9177-66.9175.2000112.9V72 I73 F74 I79 A80V72-L76 HydrophobicContact CG1-CD1 4.32Å; V72-L76 WeakPolarHBondContact O-CG 3.28Å; V72-L76 PolarHBondContact O-N 3.36Å; I73-L76 PolarHBondContact O-N 3.31Å; F74-L76 PolarHBondContact O-N 3.29Å; L76-I79 PolarHBondContact O-N 3.44Å; L76-A80 WeakPolarHBondContact O-CB 3.02Å; L76-A80 PolarHBondContact O-N 3.28Å
77I83.8Confident83.5Confident92 Ų9283.3 Ų83.347%0.47246%0.456SS..Hα-helixtrans-62.6-44.7177.8-68.9165.9000110.7I73 F74 I79 A80 C81I73-I77 HydrophobicContact CG2-CD1 3.9Å; I73-I77 WeakPolarHBondContact O-CG1 3.32Å; I73-I77 PolarHBondContact O-N 2.88Å; F74-I77 PolarHBondContact O-N 2.87Å; F74-I77 VanDerWaalsContact O-N 3.14Å; I77-I79 PolarHBondContact O-N 2.91Å; I77-A80 PolarHBondContact O-N 3.45Å; I77-C81 WeakPolarHBondContact O-CB 3.17Å; I77-C81 PolarHBondContact O-N 3Å; I77-C81 PolarHBondContact O-SG 3.31Å
78N81.5Confident83.7Confident71 Ų7185.7 Ų85.738%0.3847%0.467SS..Hα-helixtrans-63.4-42.4177.4-67.3-62.2000112.5F74 G75 A80 C81 W82F74-N78 VanDerWaalsContact CD1-ND2 3.31Å; F74-N78 WeakPolarHBondContact CD1-ND2 3.46Å; F74-N78 WeakPolarHBondContact CD2-ND2 3.36Å; F74-N78 WeakPolarHBondContact CE1-ND2 3.26Å; F74-N78 WeakPolarHBondContact CE2-ND2 3.4Å; F74-N78 WeakPolarHBondContact CZ-ND2 3.28Å; F74-N78 PolarHBondContact O-N 3.48Å; F74-N78 PolarHBondContact O-ND2 2.87Å; G75-N78 PolarHBondContact O-N 2.95Å; N78-A80 VanDerWaalsContact C-N 3.31Å; N78-A80 PolarHBondContact O-N 3.02Å; N78-C81 PolarHBondContact O-N 3.33Å; N78-W82 WeakPolarHBondContact O-CB 3.38Å; N78-W82 PolarHBondContact O-N 3.5Å
79I83.4Confident83.9Confident97 Ų9783.1 Ų83.150%0.49746%0.461SS..Hα-helixtrans-60.8-44.8176.7-69.7162.9000109.7G75 L76 I77 W82 I83G75-I79 WeakPolarHBondContact O-CD1 3.26Å; G75-I79 WeakPolarHBondContact O-CG1 3.37Å; G75-I79 PolarHBondContact O-N 3.47Å; L76-I79 PolarHBondContact O-N 3.44Å; I77-I79 PolarHBondContact O-N 2.91Å; I79-W82 PolarHBondContact O-N 3.42Å; I79-I83 HydrophobicContact CG2-CD1 3.79Å; I79-I83 HydrophobicContact CG2-CG1 4.5Å; I79-I83 VanDerWaalsContact O-CG1 3.26Å; I79-I83 WeakPolarHBondContact O-CG1 3.1Å; I79-I83 PolarHBondContact O-N 3.22Å
80A81.7Confident84.1Confident58 Ų5882 Ų8248%0.47946%0.455SS..Hα-helixtrans-62-44.3176.600000112.3L76 I77 N78 W82 I83 A84L76-A80 WeakPolarHBondContact O-CB 3.02Å; L76-A80 PolarHBondContact O-N 3.28Å; I77-A80 PolarHBondContact O-N 3.45Å; N78-A80 VanDerWaalsContact C-N 3.31Å; N78-A80 PolarHBondContact O-N 3.02Å; A80-W82 VanDerWaalsContact C-N 3.34Å; A80-W82 PolarHBondContact O-N 2.94Å; A80-I83 PolarHBondContact O-N 2.95Å; A80-A84 WeakPolarHBondContact O-CB 3.44Å; A80-A84 PolarHBondContact O-N 3.22Å
81C83.9Confident84.4Confident78 Ų7880.7 Ų80.753%0.52745%0.453SS..Hα-helixtrans-61.3-41.6175.4-72.30000112.1I77 N78 A84 S85I77-C81 WeakPolarHBondContact O-CB 3.17Å; I77-C81 PolarHBondContact O-N 3Å; I77-C81 PolarHBondContact O-SG 3.31Å; N78-C81 PolarHBondContact O-N 3.33Å; C81-A84 PolarHBondContact O-N 3.42Å; C81-S85 WeakPolarHBondContact O-CB 3.49Å; C81-S85 PolarHBondContact O-N 3.06Å
82W84.1Confident84.6Confident173 Ų17382.7 Ų82.766%0.65545%0.454SS*.Hα-helixtrans-64.2-45177.6-177.373.5000111.8N78 I79 A80 A84 S85 I86N78-W82 WeakPolarHBondContact O-CB 3.38Å; N78-W82 PolarHBondContact O-N 3.5Å; I79-W82 PolarHBondContact O-N 3.42Å; A80-W82 VanDerWaalsContact C-N 3.34Å; A80-W82 PolarHBondContact O-N 2.94Å; W82-A84 PolarHBondContact O-N 3.23Å; W82-S85 WeakPolarHBondContact O-CB 3.32Å; W82-S85 PolarHBondContact O-N 2.99Å; W82-I86 HydrophobicContact CD2-CD1 3.7Å; W82-I86 VanDerWaalsContact CE2-CD1 3.46Å; W82-I86 HydrophobicContact CE3-CD1 3.89Å; W82-I86 HydrophobicContact CG-CD1 4.42Å; W82-I86 HydrophobicContact CH2-CD1 3.69Å; W82-I86 HydrophobicContact CZ2-CD1 3.48Å; W82-I86 VanDerWaalsContact CZ2-CD1 3.48Å; W82-I86 HydrophobicContact CZ3-CD1 3.88Å; W82-I86 WeakPolarHBondContact O-CG1 3.41Å; W82-I86 PolarHBondContact O-N 2.96Å
83I85.6Confident84.7Confident80 Ų8087.8 Ų87.841%0.4146%0.464SS..Hα-helixtrans-60.9-46.7175.3-67.3166000110.7I79 A80 S85 I86 I87I79-I83 HydrophobicContact CG2-CD1 3.79Å; I79-I83 HydrophobicContact CG2-CG1 4.5Å; I79-I83 VanDerWaalsContact O-CG1 3.26Å; I79-I83 WeakPolarHBondContact O-CG1 3.1Å; I79-I83 PolarHBondContact O-N 3.22Å; A80-I83 PolarHBondContact O-N 2.95Å; I83-S85 VanDerWaalsContact C-N 3.29Å; I83-S85 PolarHBondContact O-N 3.33Å; I83-I86 PolarHBondContact O-N 3.5Å; I83-I87 HydrophobicContact CG2-CD1 3.71Å; I83-I87 HydrophobicContact CG2-CG1 4.36Å; I83-I87 VanDerWaalsContact O-CG1 3.32Å; I83-I87 WeakPolarHBondContact O-CG1 3.44Å; I83-I87 PolarHBondContact O-N 2.87Å
84A85.1Confident85Confident55 Ų5592.1 Ų92.146%0.45548%0.475SS..Hα-helixtrans-60.8-38.8178.400000112.3A80 C81 W82 I87 K88A80-A84 WeakPolarHBondContact O-CB 3.44Å; A80-A84 PolarHBondContact O-N 3.22Å; C81-A84 PolarHBondContact O-N 3.42Å; W82-A84 PolarHBondContact O-N 3.23Å; A84-I87 PolarHBondContact O-N 2.88Å; A84-K88 WeakPolarHBondContact O-CB 3.4Å; A84-K88 PolarHBondContact O-N 3.1Å
85S86.8Confident85.5Confident61 Ų6195.5 Ų95.543%0.42749%0.49SS..Hα-helixtrans-62-46175.4-1730000111.8C81 W82 I83 I87 K88 A89C81-S85 WeakPolarHBondContact O-CB 3.49Å; C81-S85 PolarHBondContact O-N 3.06Å; W82-S85 WeakPolarHBondContact O-CB 3.32Å; W82-S85 PolarHBondContact O-N 2.99Å; I83-S85 VanDerWaalsContact C-N 3.29Å; I83-S85 PolarHBondContact O-N 3.33Å; S85-I87 PolarHBondContact O-N 3.2Å; S85-K88 PolarHBondContact O-N 3.37Å; S85-A89 PolarHBondContact O-N 3.28Å
86I86.7Confident85.7Confident65 Ų6597.4 Ų97.433%0.33349%0.493SS..Hα-helixtrans-62.5-45.8176.7-68.7165.9000111W82 I83 K88 A89 I90W82-I86 HydrophobicContact CD2-CD1 3.7Å; W82-I86 VanDerWaalsContact CE2-CD1 3.46Å; W82-I86 HydrophobicContact CE3-CD1 3.89Å; W82-I86 HydrophobicContact CG-CD1 4.42Å; W82-I86 HydrophobicContact CH2-CD1 3.69Å; W82-I86 HydrophobicContact CZ2-CD1 3.48Å; W82-I86 VanDerWaalsContact CZ2-CD1 3.48Å; W82-I86 HydrophobicContact CZ3-CD1 3.88Å; W82-I86 WeakPolarHBondContact O-CG1 3.41Å; W82-I86 PolarHBondContact O-N 2.96Å; I83-I86 PolarHBondContact O-N 3.5Å; I86-K88 VanDerWaalsContact C-N 3.32Å; I86-K88 PolarHBondContact O-N 3.41Å; I86-A89 PolarHBondContact O-N 2.93Å; I86-I90 HydrophobicContact CG2-CD1 3.74Å; I86-I90 HydrophobicContact CG2-CG1 4.39Å; I86-I90 WeakPolarHBondContact O-CG1 3.32Å; I86-I90 PolarHBondContact O-N 3.38Å
87I87.2Confident85.9Confident87 Ų8799.5 Ų99.545%0.44650%0.497SS..Hα-helixtrans-59.3-45.8178.6-69.2168.6000110.4I83 A84 S85 A89 I90 I91I83-I87 HydrophobicContact CG2-CD1 3.71Å; I83-I87 HydrophobicContact CG2-CG1 4.36Å; I83-I87 VanDerWaalsContact O-CG1 3.32Å; I83-I87 WeakPolarHBondContact O-CG1 3.44Å; I83-I87 PolarHBondContact O-N 2.87Å; A84-I87 PolarHBondContact O-N 2.88Å; S85-I87 PolarHBondContact O-N 3.2Å; I87-A89 VanDerWaalsContact C-N 3.33Å; I87-A89 PolarHBondContact O-N 3.39Å; I87-I90 PolarHBondContact O-N 2.95Å; I87-I91 HydrophobicContact CG2-CD1 3.76Å; I87-I91 HydrophobicContact CG2-CG1 4.4Å; I87-I91 WeakPolarHBondContact O-CG1 3.41Å; I87-I91 PolarHBondContact O-N 3.44Å
88K87.1Confident86Confident134 Ų134103.1 Ų103.158%0.58351%0.509SS*.Hα-helixtrans-60.4-43177.8-170.8167.2-174.9166.70111.7C4 A84 S85 I86 I90 I91 D92C4-K88 PolarHBondContact SG-NZ 3.14Å; A84-K88 WeakPolarHBondContact O-CB 3.4Å; A84-K88 PolarHBondContact O-N 3.1Å; S85-K88 PolarHBondContact O-N 3.37Å; I86-K88 VanDerWaalsContact C-N 3.32Å; I86-K88 PolarHBondContact O-N 3.41Å; K88-I90 PolarHBondContact O-N 3.48Å; K88-I91 PolarHBondContact O-N 3.03Å; K88-D92 PolarHBondContact O-N 3.41Å
89A88.1Confident86.2Confident51 Ų51105.6 Ų105.642%0.42151%0.513SS..Hα-helixtrans-62.6-40.217600000112.5S85 I86 I87 R93S85-A89 PolarHBondContact O-N 3.28Å; I86-A89 PolarHBondContact O-N 2.93Å; I87-A89 VanDerWaalsContact C-N 3.33Å; I87-A89 PolarHBondContact O-N 3.39Å; A89-R93 WeakPolarHBondContact O-CG 3.34Å; A89-R93 PolarHBondContact O-N 3.46Å; A89-R93 VanDerWaalsContact O-N 3.1Å
90I87.7Confident86.5Confident78 Ų78104.9 Ų104.940%0.451%0.511SS..Hα-helixtrans-66.7-44.4177.4-67.6167.1000111.1I86 I87 K88 D92 R93 R94I86-I90 HydrophobicContact CG2-CD1 3.74Å; I86-I90 HydrophobicContact CG2-CG1 4.39Å; I86-I90 WeakPolarHBondContact O-CG1 3.32Å; I86-I90 PolarHBondContact O-N 3.38Å; I87-I90 PolarHBondContact O-N 2.95Å; K88-I90 PolarHBondContact O-N 3.48Å; I90-D92 VanDerWaalsContact C-N 3.33Å; I90-D92 PolarHBondContact O-N 2.96Å; I90-R93 PolarHBondContact O-N 3.49Å; I90-R94 HydrophobicContact CG2-CG 4.5Å; I90-R94 WeakPolarHBondContact O-CG 3.35Å; I90-R94 PolarHBondContact O-N 3.21Å
91I87.1Confident86.7Confident102 Ų102106.5 Ų106.552%0.52351%0.511SS..Hα-helixtrans-61.4-44178.9-69.7169.7000110.5I87 K88 R94 K95I87-I91 HydrophobicContact CG2-CD1 3.76Å; I87-I91 HydrophobicContact CG2-CG1 4.4Å; I87-I91 WeakPolarHBondContact O-CG1 3.41Å; I87-I91 PolarHBondContact O-N 3.44Å; K88-I91 PolarHBondContact O-N 3.03Å; I91-R94 PolarHBondContact O-N 2.95Å; I91-K95 WeakPolarHBondContact O-CB 3.48Å; I91-K95 PolarHBondContact O-N 3.34Å
92D87.2Confident86.6Confident82 Ų82105.5 Ų105.544%0.43951%0.508SS..Hα-helixtrans-64.3-45.2179.6-170.344.7000111.8K88 I90 R94 K95 I96K88-D92 PolarHBondContact O-N 3.41Å; I90-D92 VanDerWaalsContact C-N 3.33Å; I90-D92 PolarHBondContact O-N 2.96Å; D92-R94 VanDerWaalsContact C-N 3.31Å; D92-R94 PolarHBondContact O-N 2.81Å; D92-K95 PolarHBondContact O-N 3.18Å; D92-K95 VanDerWaalsContact O-N 3.11Å; D92-I96 WeakPolarHBondContact O-CG1 3.45Å; D92-I96 PolarHBondContact O-N 3.37Å
93R87.3Confident86.6Confident193 Ų193105.4 Ų105.473%0.72851%0.508SS*.Hα-helixtrans-57.2-42.6172.9-74.2-177.1-176.8-172.92.4112.4A89 I90 I96 K97A89-R93 WeakPolarHBondContact O-CG 3.34Å; A89-R93 PolarHBondContact O-N 3.46Å; A89-R93 VanDerWaalsContact O-N 3.1Å; I90-R93 PolarHBondContact O-N 3.49Å; R93-I96 PolarHBondContact O-N 2.9Å; R93-K97 WeakPolarHBondContact O-CB 3.37Å; R93-K97 PolarHBondContact O-N 2.89Å
94R87.5Confident86.5Confident180 Ų180106.9 Ų106.968%0.67951%0.513SS*.Hα-helixtrans-63.5-42.3175.9-74.2179.7-177.7-173.62.1111.8I90 I91 D92 I96 K97 K98I90-R94 HydrophobicContact CG2-CG 4.5Å; I90-R94 WeakPolarHBondContact O-CG 3.35Å; I90-R94 PolarHBondContact O-N 3.21Å; I91-R94 PolarHBondContact O-N 2.95Å; D92-R94 VanDerWaalsContact C-N 3.31Å; D92-R94 PolarHBondContact O-N 2.81Å; R94-I96 VanDerWaalsContact C-N 3.34Å; R94-I96 PolarHBondContact O-N 3.38Å; R94-K97 PolarHBondContact O-N 3.33Å; R94-K98 WeakPolarHBondContact O-CB 3.44Å; R94-K98 PolarHBondContact O-N 2.9Å
95K87.2Confident86.2Confident132 Ų132107.5 Ų107.557%0.57451%0.509SS*.Hα-helixtrans-64.6-38.1177.7-168.9178.4-178.6179.20111.7I91 D92 R99I91-K95 WeakPolarHBondContact O-CB 3.48Å; I91-K95 PolarHBondContact O-N 3.34Å; D92-K95 PolarHBondContact O-N 3.18Å; D92-K95 VanDerWaalsContact O-N 3.11Å; K95-R99 WeakPolarHBondContact O-CG 3.48Å; K95-R99 PolarHBondContact O-N 3.48Å; K95-R99 VanDerWaalsContact O-N 3.17Å; K95-R99 PolarHBondContact O-NE 2.91Å
96I86.4Confident85.7Confident66 Ų66107.1 Ų107.134%0.33851%0.509SS..Hα-helixtrans-67.1-48174-65.4164.7000110.3D92 R93 R94 K98 R99 N100D92-I96 WeakPolarHBondContact O-CG1 3.45Å; D92-I96 PolarHBondContact O-N 3.37Å; R93-I96 PolarHBondContact O-N 2.9Å; R94-I96 VanDerWaalsContact C-N 3.34Å; R94-I96 PolarHBondContact O-N 3.38Å; I96-K98 VanDerWaalsContact C-N 3.34Å; I96-K98 PolarHBondContact O-N 3.49Å; I96-R99 PolarHBondContact O-N 2.89Å; I96-N100 PolarHBondContact O-N 3.11Å
97K87.6Confident85.4Confident155 Ų155111.2 Ų111.267%0.67452%0.524SS*.Hα-helixtrans-57.7-44.4177.7-170.3179.3-178.7-179.60112.1R93 R94 N100 L101R93-K97 WeakPolarHBondContact O-CB 3.37Å; R93-K97 PolarHBondContact O-N 2.89Å; R94-K97 PolarHBondContact O-N 3.33Å; K97-N100 PolarHBondContact O-N 2.94Å; K97-L101 WeakPolarHBondContact O-CB 3.33Å; K97-L101 PolarHBondContact O-N 3.01Å
98K87.2Confident84.5Confident167 Ų167115 Ų11573%0.72653%0.533SS*.Hα-helixtrans-62.4-42.7177.3-173.7174177.41760112.1R94 I96 L101 A102R94-K98 WeakPolarHBondContact O-CB 3.44Å; R94-K98 PolarHBondContact O-N 2.9Å; I96-K98 VanDerWaalsContact C-N 3.34Å; I96-K98 PolarHBondContact O-N 3.49Å; K98-L101 PolarHBondContact O-N 2.91Å; K98-A102 PolarHBondContact O-N 3.3Å
99R86.4Confident83.6Confident123 Ų123115.2 Ų115.246%0.46453%0.534SS..Hα-helixtrans-63.7-41.7175.5-76.1-177.9-77.9168.2-5.4111.9K95 I96 R103K95-R99 WeakPolarHBondContact O-CG 3.48Å; K95-R99 PolarHBondContact O-N 3.48Å; K95-R99 VanDerWaalsContact O-N 3.17Å; K95-R99 PolarHBondContact O-NE 2.91Å; I96-R99 PolarHBondContact O-N 2.89Å; R99-R103 VanDerWaalsContact O-CG 3.31Å; R99-R103 WeakPolarHBondContact O-CG 3.49Å; R99-R103 PolarHBondContact O-N 3.25Å
100N88.7Confident82.7Confident82 Ų82121.7 Ų121.744%0.43955%0.553SS.*Hα-helixtrans-68.1-38.4178.6-71.7-12.2000112.3I96 K97 R103 Q104I96-N100 PolarHBondContact O-N 3.11Å; K97-N100 PolarHBondContact O-N 2.94Å; N100-R103 WeakPolarHBondContact O-CB 3.5Å; N100-R103 PolarHBondContact O-N 3.21Å; N100-Q104 WeakPolarHBondContact O-CB 3.31Å; N100-Q104 PolarHBondContact O-N 3.17Å
101L85.7Confident81.8Confident92 Ų92121 Ų12148%0.48255%0.553SS.*Hα-helixtrans-65.2-46.1175.6-168.7138.4000111.4K97 K98 R103 Q104 D105K97-L101 WeakPolarHBondContact O-CB 3.33Å; K97-L101 PolarHBondContact O-N 3.01Å; K98-L101 PolarHBondContact O-N 2.91Å; L101-R103 VanDerWaalsContact C-N 3.28Å; L101-R103 PolarHBondContact O-N 3.02Å; L101-Q104 WeakPolarHBondContact O-CA 3.43Å; L101-Q104 WeakPolarHBondContact O-CB 3.37Å; L101-Q104 PolarHBondContact O-N 3.04Å; L101-D105 WeakPolarHBondContact CD2-OD2 3.44Å; L101-D105 PolarHBondContact O-N 3.32Å
102A82.7Confident80.8Confident58 Ų58122 Ų12248%0.47956%0.555SS.*Hα-helixtrans-59.7-37.9174.200000112.7K98 A106K98-A102 PolarHBondContact O-N 3.3Å; A102-A106 WeakPolarHBondContact O-CB 3.47Å; A102-A106 PolarHBondContact O-N 3.47Å
103R83.3Confident79.9Confident171 Ų171122 Ų12265%0.64556%0.562SS**Hα-helixtrans-65.5-37.7173-74.7173.9175.5-169.3-3.7112.1R99 N100 L101 K107R99-R103 VanDerWaalsContact O-CG 3.31Å; R99-R103 WeakPolarHBondContact O-CG 3.49Å; R99-R103 PolarHBondContact O-N 3.25Å; N100-R103 WeakPolarHBondContact O-CB 3.5Å; N100-R103 PolarHBondContact O-N 3.21Å; L101-R103 VanDerWaalsContact C-N 3.28Å; L101-R103 PolarHBondContact O-N 3.02Å; R103-K107 WeakPolarHBondContact O-CG 3.37Å; R103-K107 PolarHBondContact O-N 3.34Å
104Q83.5Confident78.8Confident110 Ų110116.4 Ų116.451%0.51454%0.543SS..Hα-helixtrans-69.6-42.4178.4-169.8177.11000111.6N100 L101 K107 R108N100-Q104 WeakPolarHBondContact O-CB 3.31Å; N100-Q104 PolarHBondContact O-N 3.17Å; L101-Q104 WeakPolarHBondContact O-CA 3.43Å; L101-Q104 WeakPolarHBondContact O-CB 3.37Å; L101-Q104 PolarHBondContact O-N 3.04Å; Q104-K107 WeakPolarHBondContact O-CB 3.35Å; Q104-K107 PolarHBondContact O-N 3.01Å; Q104-R108 PolarHBondContact O-N 2.77Å
105D77.9Confident77.9Confident69 Ų69116.1 Ų116.137%0.36954%0.542SS..Hα-helixtrans-61.9-46.9174.9-68.3-21.7000110.6L101 K107 R108 F109L101-D105 WeakPolarHBondContact CD2-OD2 3.44Å; L101-D105 PolarHBondContact O-N 3.32Å; D105-K107 VanDerWaalsContact C-N 3.27Å; D105-K107 PolarHBondContact O-N 3.29Å; D105-R108 WeakPolarHBondContact O-CB 3.48Å; D105-R108 PolarHBondContact O-N 3.03Å; D105-F109 HydrophobicContact CB-CE2 4.4Å; D105-F109 WeakPolarHBondContact O-CD2 3.33Å; D105-F109 PolarHBondContact O-N 2.88Å
106A78.1Confident77Confident52 Ų52115.4 Ų115.443%0.4354%0.539SS..Hα-helixtrans-58.1-37.8174.400000112.8A102 K110A102-A106 WeakPolarHBondContact O-CB 3.47Å; A102-A106 PolarHBondContact O-N 3.47Å; A106-K110 PolarHBondContact O-N 2.91Å
107K78.9Confident76.4Confident151 Ų151116.2 Ų116.266%0.65755%0.551SS**Hα-helixtrans-65.7-41.1173.1-77.6-179.2177.2-167.70111.8R103 Q104 D105 F109 K110 T111R103-K107 WeakPolarHBondContact O-CG 3.37Å; R103-K107 PolarHBondContact O-N 3.34Å; Q104-K107 WeakPolarHBondContact O-CB 3.35Å; Q104-K107 PolarHBondContact O-N 3.01Å; D105-K107 VanDerWaalsContact C-N 3.27Å; D105-K107 PolarHBondContact O-N 3.29Å; K107-F109 VanDerWaalsContact C-N 3.34Å; K107-F109 PolarHBondContact O-N 3.21Å; K107-K110 PolarHBondContact O-N 3.31Å; K107-K110 VanDerWaalsContact O-N 3.1Å; K107-T111 WeakPolarHBondContact O-CG2 3.36Å; K107-T111 PolarHBondContact O-N 3.49Å; K107-T111 PolarHBondContact O-OG1 3.45Å
108R69.9Low75.6Confident166 Ų166112.8 Ų112.863%0.62654%0.543SS*.Hα-helixtrans-61.2-39.9176-75.8-169.3-177-130.13.7112.7Q104 D105 K110 T111Q104-R108 PolarHBondContact O-N 2.77Å; D105-R108 WeakPolarHBondContact O-CB 3.48Å; D105-R108 PolarHBondContact O-N 3.03Å; R108-K110 VanDerWaalsContact C-N 3.25Å; R108-K110 PolarHBondContact O-N 2.93Å; R108-T111 WeakPolarHBondContact CA-OG1 3.44Å; R108-T111 PolarHBondContact O-N 3.01Å; R108-T111 PolarHBondContact O-OG1 3.03Å
109F66.5Low74.8Confident140 Ų140107.4 Ų107.461%0.61452%0.522SS*.Hα-helixtrans-64-30.8174.8-71.1-69.2000112.7D105 K107 H114D105-F109 HydrophobicContact CB-CE2 4.4Å; D105-F109 WeakPolarHBondContact O-CD2 3.33Å; D105-F109 PolarHBondContact O-N 2.88Å; K107-F109 VanDerWaalsContact C-N 3.34Å; K107-F109 PolarHBondContact O-N 3.21Å; F109-H114 AromaticContact CD1-CD2 3.93Å; F109-H114 AromaticContact CD1-NE2 3.73Å
110K68.9Low74.2Confident186 Ų186107.6 Ų107.681%0.80953%0.526SS*.Hα-helixtrans-79.3-26.7175.6-72-174.4176.6-169.80113.8A106 K107 R108A106-K110 PolarHBondContact O-N 2.91Å; K107-K110 PolarHBondContact O-N 3.31Å; K107-K110 VanDerWaalsContact O-N 3.1Å; R108-K110 VanDerWaalsContact C-N 3.25Å; R108-K110 PolarHBondContact O-N 2.93Å
111T70.6Confident73.1Confident65 Ų65109.8 Ų109.840%0.39954%0.537SS..SBendtrans-69.9144.7-175.544.20000113.2K107 R108 S113 H114K107-T111 WeakPolarHBondContact O-CG2 3.36Å; K107-T111 PolarHBondContact O-N 3.49Å; K107-T111 PolarHBondContact O-OG1 3.45Å; R108-T111 WeakPolarHBondContact CA-OG1 3.44Å; R108-T111 PolarHBondContact O-N 3.01Å; R108-T111 PolarHBondContact O-OG1 3.03Å; T111-S113 PolarHBondContact O-N 2.72Å; T111-H114 PolarHBondContact O-N 3.1Å
112E66Low72.2Confident122 Ų122111.8 Ų111.857%0.5755%0.548SS*.Hα-helixtrans-52.2-29.8-177.1-165.4-170.6155.800114.2H114 R115 K116E112-H114 PolarHBondContact O-N 3.03Å; E112-R115 WeakPolarHBondContact O-CB 3.03Å; E112-R115 PolarHBondContact O-N 3.07Å; E112-K116 WeakPolarHBondContact O-CG 3Å; E112-K116 PolarHBondContact O-N 3.3Å; E112-K116 WeakPolarHBondContact OE1-CE 3.47Å; E112-K116 IonicContact OE1-NZ 2.74Å; E112-K116 PolarHBondContact OE1-NZ 3.04Å
113S68.5Low71.5Confident83 Ų83113.6 Ų113.658%0.5855%0.548SS*.Hα-helixtrans-62.5-38.6177.758.40000112.9T111 K116 S117T111-S113 PolarHBondContact O-N 2.72Å; S113-K116 PolarHBondContact O-N 2.82Å; S113-S117 WeakPolarHBondContact O-CB 3.47Å; S113-S117 PolarHBondContact O-N 3.28Å
114H63.8Low71Confident74 Ų74111 Ų11134%0.34355%0.547SS..Hα-helixtrans-71.3-40.9175-174.857.7000111F109 T111 E112 K116 S117 V118F109-H114 AromaticContact CD1-CD2 3.93Å; F109-H114 AromaticContact CD1-NE2 3.73Å; T111-H114 PolarHBondContact O-N 3.1Å; E112-H114 PolarHBondContact O-N 3.03Å; H114-K116 VanDerWaalsContact C-N 3.33Å; H114-K116 PolarHBondContact O-N 3.26Å; H114-S117 PolarHBondContact O-N 3.38Å; H114-V118 VanDerWaalsContact CE1-CG2 3.47Å; H114-V118 WeakPolarHBondContact CE1-CG2 3.48Å; H114-V118 WeakPolarHBondContact O-CG2 3.43Å; H114-V118 PolarHBondContact O-N 3.06Å
115R68.2Low70.1Confident174 Ų174109.9 Ų109.966%0.65755%0.55SS*.Hα-helixtrans-56.9-46.9172.6-175.2-179.1173.5-171.2-2.1110.9E112 S117 V118 L119E112-R115 WeakPolarHBondContact O-CB 3.03Å; E112-R115 PolarHBondContact O-N 3.07Å; R115-S117 PolarHBondContact O-N 3.18Å; R115-V118 PolarHBondContact O-N 2.98Å; R115-L119 HydrophobicContact CG-CD1 4.12Å; R115-L119 HydrophobicContact CG-CD2 4.2Å; R115-L119 VanDerWaalsContact O-CB 3.22Å; R115-L119 WeakPolarHBondContact O-CB 3.49Å; R115-L119 WeakPolarHBondContact O-CD1 3.39Å; R115-L119 PolarHBondContact O-N 3.48Å
116K68.7Low69.5Low118 Ų118114.7 Ų114.751%0.51357%0.57SS.*Hα-helixtrans-63.2-38.4176.2-76.8-179.8179.9166.10112.7E112 S113 H114 K120E112-K116 WeakPolarHBondContact O-CG 3Å; E112-K116 PolarHBondContact O-N 3.3Å; E112-K116 WeakPolarHBondContact OE1-CE 3.47Å; E112-K116 IonicContact OE1-NZ 2.74Å; E112-K116 PolarHBondContact OE1-NZ 3.04Å; S113-K116 PolarHBondContact O-N 2.82Å; H114-K116 VanDerWaalsContact C-N 3.33Å; H114-K116 PolarHBondContact O-N 3.26Å; K116-K120 WeakPolarHBondContact O-CA 3.47Å; K116-K120 WeakPolarHBondContact O-CB 3.32Å; K116-K120 PolarHBondContact O-N 3.45Å
117S73.9Confident69.1Low82 Ų82117.3 Ų117.357%0.57358%0.583SS**Hα-helixtrans-66.9-44.2177.1177.70000112.7S113 H114 R115 K120S113-S117 WeakPolarHBondContact O-CB 3.47Å; S113-S117 PolarHBondContact O-N 3.28Å; H114-S117 PolarHBondContact O-N 3.38Å; R115-S117 PolarHBondContact O-N 3.18Å; S117-K120 WeakPolarHBondContact O-CB 3.34Å
118V70.7Confident68.3Low84 Ų84115.4 Ų115.451%0.50959%0.586SS.*Hα-helixtrans-75.2-35-179.3176.30000111.1H114 R115 K120H114-V118 VanDerWaalsContact CE1-CG2 3.47Å; H114-V118 WeakPolarHBondContact CE1-CG2 3.48Å; H114-V118 WeakPolarHBondContact O-CG2 3.43Å; H114-V118 PolarHBondContact O-N 3.06Å; R115-V118 PolarHBondContact O-N 2.98Å; V118-K120 VanDerWaalsContact C-N 3.3Å
119L70.1Confident68.1Low54 Ų54116.1 Ų116.128%0.28359%0.593SS.*SBendtrans-87.65.1176.2-81.365.9000112.6R115 D121 L122 I123R115-L119 HydrophobicContact CG-CD1 4.12Å; R115-L119 HydrophobicContact CG-CD2 4.2Å; R115-L119 VanDerWaalsContact O-CB 3.22Å; R115-L119 WeakPolarHBondContact O-CB 3.49Å; R115-L119 WeakPolarHBondContact O-CD1 3.39Å; R115-L119 PolarHBondContact O-N 3.48Å; L119-D121 PolarHBondContact O-N 3.43Å; L119-L122 CarbonylContact O-C 3.53Å; L119-L122 WeakPolarHBondContact O-CA 3.48Å; L119-L122 WeakPolarHBondContact O-CB 3.42Å; L119-L122 PolarHBondContact O-N 3.5Å; L119-I123 HydrophobicContact CB-CD1 3.7Å; L119-I123 HydrophobicContact CB-CG1 4.1Å; L119-I123 WeakPolarHBondContact O-CB 3.22Å; L119-I123 WeakPolarHBondContact O-CG1 3.45Å; L119-I123 PolarHBondContact O-N 2.92Å
120K73.2Confident67.6Low127 Ų127115.9 Ų115.955%0.55260%0.598SS**Hα-helixtrans-55.4-44-177.4-172.9-179.6174.6-171.80110.9K116 S117 V118 L122 I123 D124K116-K120 WeakPolarHBondContact O-CA 3.47Å; K116-K120 WeakPolarHBondContact O-CB 3.32Å; K116-K120 PolarHBondContact O-N 3.45Å; S117-K120 WeakPolarHBondContact O-CB 3.34Å; V118-K120 VanDerWaalsContact C-N 3.3Å; K120-L122 PolarHBondContact O-N 3.15Å; K120-I123 PolarHBondContact O-N 2.8Å; K120-D124 CarbonylContact O-C 3.56Å; K120-D124 PolarHBondContact O-N 2.89Å
121D65.4Low67.4Low127 Ų127112 Ų11268%0.67959%0.585SS**Hα-helixtrans-66.7-21.5178.4-59-9.7000113L119 P125L119-D121 PolarHBondContact O-N 3.43Å; D121-P125 WeakPolarHBondContact O-CA 3.34Å
122L66.6Low66.9Low134 Ų134114.8 Ų114.870%0.70260%0.597SS**Hα-helixtrans-90.8-31.8175.2-82.177.9000112.8L119 K120L119-L122 CarbonylContact O-C 3.53Å; L119-L122 WeakPolarHBondContact O-CA 3.48Å; L119-L122 WeakPolarHBondContact O-CB 3.42Å; L119-L122 PolarHBondContact O-N 3.5Å; K120-L122 PolarHBondContact O-N 3.15Å
123I69Low66.8Low96 Ų96111.9 Ų111.949%0.49259%0.588SS.*Hα-helixtrans-81.7-46.7-176.9-67.5163000109.7L119 K120L119-I123 HydrophobicContact CB-CD1 3.7Å; L119-I123 HydrophobicContact CB-CG1 4.1Å; L119-I123 WeakPolarHBondContact O-CB 3.22Å; L119-I123 WeakPolarHBondContact O-CG1 3.45Å; L119-I123 PolarHBondContact O-N 2.92Å; K120-I123 PolarHBondContact O-N 2.8Å
124D72Confident66.8Low116 Ų116111.4 Ų111.462%0.6259%0.585SS**SBendtrans-12573.7177.2-64.7-40.2000109.1K120 E126K120-D124 CarbonylContact O-C 3.56Å; K120-D124 PolarHBondContact O-N 2.89Å; D124-E126 PolarHBondContact O-N 3.24Å
125P64.9Low67.3Low88 Ų88112.4 Ų112.457%0.57159%0.592SS**PPolyproline II helixtrans-59.9128.4175.525.2-32.8000109.3D121D121-P125 WeakPolarHBondContact O-CA 3.34Å
126E66.6Low67.7Low169 Ų169107.9 Ų107.979%0.7958%0.583SS**PPolyproline II helixtrans-56129.4173.5-159.4176.1-171.800108.1D124D124-E126 PolarHBondContact O-N 3.24Å
127P68.8Low68.1Low107 Ų107107.4 Ų107.470%0.69559%0.587SS**PPolyproline II helixtrans-56.7131.2-173.919.4-30.7000109K129P127-K129 PolarHBondContact O-N 2.93Å
128P62.7Low68.2Low111 Ų111106.2 Ų106.272%0.72158%0.578SS**PPolyproline II helixtrans-57.2121.6-178.321.8-31.3000108.1L130P128-L130 VanDerWaalsContact C-N 3.3Å; P128-L130 PolarHBondContact O-N 2.88Å
129K65.2Low68.3Low181 Ų181104.9 Ų104.979%0.78758%0.576SS**  trans-58103.1166.6-77.7177.9-178.8170.70106.2P127 I131P127-K129 PolarHBondContact O-N 2.93Å; K129-I131 HydrophobicContact CB-CG1 4.39Å; K129-I131 PolarHBondContact O-N 3.45Å
130L56.2Low68.7Low136 Ų136105.9 Ų105.971%0.71258%0.584SS**  trans-66.384.5174.9-82.9137.6000107.7P128 L132 P133P128-L130 VanDerWaalsContact C-N 3.3Å; P128-L130 PolarHBondContact O-N 2.88Å; L130-L132 VanDerWaalsContact C-N 3.26Å; L130-P133 HydrophobicContact CB-CG 3.96Å; L130-P133 HydrophobicContact CD2-CG 3.98Å; L130-P133 WeakPolarHBondContact O-CD 3.31Å
131I64.3Low68.9Low105 Ų105106.7 Ų106.754%0.53859%0.587SS.*  trans-81.2-17168.8-51.6170.4000109.2K129 S134 I135K129-I131 HydrophobicContact CB-CG1 4.39Å; K129-I131 PolarHBondContact O-N 3.45Å; I131-S134 PolarHBondContact O-N 3.02Å; I131-S134 PolarHBondContact O-OG 3.45Å; I131-I135 HydrophobicContact CB-CD1 4.49Å; I131-I135 HydrophobicContact CG2-CD1 3.74Å; I131-I135 HydrophobicContact CG2-CG1 4.16Å; I131-I135 WeakPolarHBondContact O-CD1 3.42Å; I131-I135 VanDerWaalsContact O-CG1 3.31Å; I131-I135 WeakPolarHBondContact O-CG1 3.4Å; I131-I135 PolarHBondContact O-N 2.86Å
132L60.4Low69.3Low123 Ų123105.5 Ų105.564%0.64458%0.581SS**Hα-helixtrans-62.3-45.1-179.1-11572.5000114.6L130 S134 I135 V136L130-L132 VanDerWaalsContact C-N 3.26Å; L132-S134 VanDerWaalsContact C-N 3.29Å; L132-S134 PolarHBondContact O-N 3.25Å; L132-I135 PolarHBondContact O-N 3.26Å; L132-V136 WeakPolarHBondContact O-CG2 3.33Å; L132-V136 PolarHBondContact O-N 3.36Å
133P64.4Low69.5Low61 Ų61108.7 Ų108.740%0.39659%0.585SS.*Hα-helixtrans-58.7-42.6179.4-23.633.6000111.7L130 I135 V136 D137L130-P133 HydrophobicContact CB-CG 3.96Å; L130-P133 HydrophobicContact CD2-CG 3.98Å; L130-P133 WeakPolarHBondContact O-CD 3.31Å; P133-I135 PolarHBondContact O-N 3.26Å; P133-V136 PolarHBondContact O-N 3.04Å; P133-D137 VanDerWaalsContact O-CB 3.31Å; P133-D137 WeakPolarHBondContact O-CB 3.37Å; P133-D137 VanDerWaalsContact O-CG 3.23Å; P133-D137 PolarHBondContact O-N 2.89Å
134S68.2Low69.6Low72 Ų72112.6 Ų112.650%0.50360%0.599SS.*Hα-helixtrans-68.6-35.1179.869.60000112.6I131 L132 S138I131-S134 PolarHBondContact O-N 3.02Å; I131-S134 PolarHBondContact O-OG 3.45Å; L132-S134 VanDerWaalsContact C-N 3.29Å; L132-S134 PolarHBondContact O-N 3.25Å; S134-S138 WeakPolarHBondContact O-CB 3.5Å; S134-S138 PolarHBondContact O-N 2.82Å; S134-S138 PolarHBondContact O-OG 2.81Å
135I73.1Confident69.4Low95 Ų95112.7 Ų112.749%0.48760%0.599SS.*Hα-helixtrans-69.3-42.5175.4-63.7164.2000110.8I131 L132 P133 S138 A139I131-I135 HydrophobicContact CB-CD1 4.49Å; I131-I135 HydrophobicContact CG2-CD1 3.74Å; I131-I135 HydrophobicContact CG2-CG1 4.16Å; I131-I135 WeakPolarHBondContact O-CD1 3.42Å; I131-I135 VanDerWaalsContact O-CG1 3.31Å; I131-I135 WeakPolarHBondContact O-CG1 3.4Å; I131-I135 PolarHBondContact O-N 2.86Å; L132-I135 PolarHBondContact O-N 3.26Å; P133-I135 PolarHBondContact O-N 3.26Å; I135-S138 WeakPolarHBondContact CA-OG 3.32Å; I135-S138 PolarHBondContact O-OG 3Å; I135-S138 VanDerWaalsContact O-OG 3.06Å; I135-A139 WeakPolarHBondContact O-CB 3.31Å; I135-A139 PolarHBondContact O-N 3.19Å
136V77Confident68.7Low79 Ų79113.7 Ų113.748%0.47960%0.604SS.*Hα-helixtrans-66.9-46178.4174.40000110.5L132 P133 S138 A139 V140L132-V136 WeakPolarHBondContact O-CG2 3.33Å; L132-V136 PolarHBondContact O-N 3.36Å; P133-V136 PolarHBondContact O-N 3.04Å; V136-S138 VanDerWaalsContact C-N 3.31Å; V136-S138 PolarHBondContact O-N 3.2Å; V136-A139 PolarHBondContact O-N 2.93Å; V136-V140 HydrophobicContact CG1-CG2 4.31Å; V136-V140 WeakPolarHBondContact O-CG2 3.25Å; V136-V140 PolarHBondContact O-N 3.35Å
137D77.3Confident67.9Low109 Ų109110.1 Ų110.158%0.58360%0.597SS**Hα-helixtrans-62.6-39.5178.6-73.5-21.7000111.8P133 K141P133-D137 VanDerWaalsContact O-CB 3.31Å; P133-D137 WeakPolarHBondContact O-CB 3.37Å; P133-D137 VanDerWaalsContact O-CG 3.23Å; P133-D137 PolarHBondContact O-N 2.89Å; D137-K141 VanDerWaalsContact O-CB 3.25Å; D137-K141 WeakPolarHBondContact O-CB 3.33Å; D137-K141 PolarHBondContact O-N 2.89Å
138S75.7Confident66.9Low57 Ų57110.9 Ų110.940%0.39960%0.602SS.*Hα-helixtrans-69.5-37.2174.947.80000112.5S134 I135 V136 K141 N142S134-S138 WeakPolarHBondContact O-CB 3.5Å; S134-S138 PolarHBondContact O-N 2.82Å; S134-S138 PolarHBondContact O-OG 2.81Å; I135-S138 WeakPolarHBondContact CA-OG 3.32Å; I135-S138 PolarHBondContact O-OG 3Å; I135-S138 VanDerWaalsContact O-OG 3.06Å; V136-S138 VanDerWaalsContact C-N 3.31Å; V136-S138 PolarHBondContact O-N 3.2Å; S138-K141 PolarHBondContact O-N 3.45Å; S138-N142 WeakPolarHBondContact O-CB 3.32Å; S138-N142 PolarHBondContact O-N 2.6Å; S138-N142 PolarHBondContact O-ND2 2.95Å
139A74Confident66.1Low55 Ų55111.4 Ų111.446%0.45560%0.604SS.*Hα-helixtrans-64-45.3173.200000112.3I135 V136 K141 N142 Y143I135-A139 WeakPolarHBondContact O-CB 3.31Å; I135-A139 PolarHBondContact O-N 3.19Å; V136-A139 PolarHBondContact O-N 2.93Å; A139-K141 PolarHBondContact O-N 2.91Å; A139-N142 PolarHBondContact O-N 3.05Å; A139-Y143 PolarHBondContact O-N 3.21Å
140V76.9Confident65Low76 Ų76108.6 Ų108.646%0.46160%0.602SS.*Hα-helixtrans-64-40.9177.2173.10000111.1V136 Y143 K144V136-V140 HydrophobicContact CG1-CG2 4.31Å; V136-V140 WeakPolarHBondContact O-CG2 3.25Å; V136-V140 PolarHBondContact O-N 3.35Å; V140-Y143 PolarHBondContact O-N 2.85Å; V140-K144 PolarHBondContact O-N 3.35Å; V140-K144 VanDerWaalsContact O-N 3.09Å
141K78.8Confident64.4Low143 Ų143107.7 Ų107.762%0.62260%0.604SS**Hα-helixtrans-64.7-41.6176.4-170.5177.2-178.9-178.80112D137 S138 A139 K144 N145D137-K141 VanDerWaalsContact O-CB 3.25Å; D137-K141 WeakPolarHBondContact O-CB 3.33Å; D137-K141 PolarHBondContact O-N 2.89Å; S138-K141 PolarHBondContact O-N 3.45Å; A139-K141 PolarHBondContact O-N 2.91Å; K141-K144 PolarHBondContact O-N 2.83Å; K141-N145 PolarHBondContact O-N 3.06Å; K141-N145 PolarHBondContact O-ND2 2.87Å
142N74Confident63.2Low103 Ų103109.7 Ų109.755%0.55162%0.615SS**Hα-helixtrans-64.4-41.2175.5-71.9-20.9000111.4S138 A139 K144 N145 V146S138-N142 WeakPolarHBondContact O-CB 3.32Å; S138-N142 PolarHBondContact O-N 2.6Å; S138-N142 PolarHBondContact O-ND2 2.95Å; A139-N142 PolarHBondContact O-N 3.05Å; N142-K144 PolarHBondContact O-N 2.87Å; N142-N145 PolarHBondContact O-N 2.7Å; N142-V146 WeakPolarHBondContact O-CG2 3.39Å; N142-V146 PolarHBondContact O-N 3.4Å; N142-V146 VanDerWaalsContact O-N 3.13Å
143Y70.3Confident62.5Low201 Ų201112.3 Ų112.379%0.78863%0.629SS**Hα-helixtrans-65.4-36.8179.2-152.2-86.8000113.1A139 V140 N145A139-Y143 PolarHBondContact O-N 3.21Å; V140-Y143 PolarHBondContact O-N 2.85Å; Y143-N145 VanDerWaalsContact C-N 3.31Å; Y143-N145 PolarHBondContact O-N 3.2Å
144K71.7Confident61.2Low177 Ų177114.5 Ų114.577%0.7764%0.642SS**Hα-helixtrans-68.1-29174.8-81.9-173.3176.2-177.20113.6V140 K141 N142V140-K144 PolarHBondContact O-N 3.35Å; V140-K144 VanDerWaalsContact O-N 3.09Å; K141-K144 PolarHBondContact O-N 2.83Å; N142-K144 PolarHBondContact O-N 2.87Å
145N66.9Low59.8Low119 Ų119118.1 Ų118.164%0.63666%0.655SS**Hα-helixtrans-89.2-17.9-176.4-69.1-11.7000113.3K141 N142 Y143 S147K141-N145 PolarHBondContact O-N 3.06Å; K141-N145 PolarHBondContact O-ND2 2.87Å; N142-N145 PolarHBondContact O-N 2.7Å; Y143-N145 VanDerWaalsContact C-N 3.31Å; Y143-N145 PolarHBondContact O-N 3.2Å; N145-S147 PolarHBondContact O-N 2.82Å
146V51.3Low58.1Low109 Ų109119 Ų11966%0.66167%0.67SS**SBendtrans-88.593.5171.9-174.20000108N142N142-V146 WeakPolarHBondContact O-CG2 3.39Å; N142-V146 PolarHBondContact O-N 3.4Å; N142-V146 VanDerWaalsContact O-N 3.13Å
147S48.1Very low56.7Low93 Ų93119.9 Ų119.965%0.6568%0.677SS**  trans-47.5144.5167.9-155.20000110.3N145 T149N145-S147 PolarHBondContact O-N 2.82Å; S147-T149 VanDerWaalsContact C-N 3.29Å; S147-T149 PolarHBondContact O-N 3.18Å
148P48.8Very low54.9Low124 Ų124121.9 Ų121.981%0.80569%0.687SS**  trans-75.478.7-161.532.2-34.8000111.3
149T45.6Very low53.4Low122 Ų122126.7 Ų126.775%0.74870%0.702SS**  trans-93.197.6156.4-47.20000105.9S147 P151S147-T149 VanDerWaalsContact C-N 3.29Å; S147-T149 PolarHBondContact O-N 3.18Å; T149-P151 WeakPolarHBondContact O-CD 3.42Å
150T42.7Very low52Low122 Ų122132.1 Ų132.175%0.74872%0.718SS**  trans-35.6108.3173.9-47.30000111.1N152T150-N152 PolarHBondContact O-N 2.93Å
151P42.8Very low50.4Low116 Ų116137.8 Ų137.875%0.75374%0.737SS**  trans-71.7120.3172-12.127.5000107.8T149 L153T149-P151 WeakPolarHBondContact O-CD 3.42Å; P151-L153 PolarHBondContact O-N 3.33Å
152N39.8Very low48.7Very low147 Ų147136 Ų13679%0.78674%0.743SS**  trans-56.1127.6171.7-101.2-27000109.6T150 T154T150-N152 PolarHBondContact O-N 2.93Å; N152-T154 PolarHBondContact O-N 3.49Å
153L44.6Very low47.1Very low179 Ų179141.7 Ų141.794%0.93776%0.756SS**  trans-71.278.1176.6-119.7140.2000108.8P151P151-L153 PolarHBondContact O-N 3.33Å
154T38Very low45.6Very low107 Ų107137.8 Ų137.866%0.65676%0.757SS**  trans-145.8125166.49.60000110.3N152N152-T154 PolarHBondContact O-N 3.49Å
155D38.3Very low44.1Very low147 Ų147134.2 Ų134.279%0.78676%0.755SS**  trans89.1100159.2-53.9-25.9000119.8
156S37.1Very low42.7Very low114 Ų114134 Ų13480%0.79776%0.758SS**  trans91.3154.5137.2-62.40000120.4
157P47Very low42.1Very low97 Ų97137 Ų13763%0.6377%0.769SS**  cis-124149.4-45.333.8-19.3000111.1H159P157-H159 PolarHBondContact O-N 3.46Å
158I41.6Very low41.4Very low152 Ų152143.7 Ų143.778%0.77978%0.78SS**  trans-59.9104.3173-61.5168.3000107.8H160I158-H160 VanDerWaalsContact C-N 3.28Å; I158-H160 PolarHBondContact O-N 3.36Å
159H43.5Very low40.5Very low157 Ų157149 Ų14973%0.72778%0.784SS**  trans-62.495.6166.5-84.6-91.9000107.6P157 F161P157-H159 PolarHBondContact O-N 3.46Å; H159-F161 VanDerWaalsContact C-N 3.32Å; H159-F161 PolarHBondContact O-N 3.09Å
160H43.5Very low40.1Very low170 Ų170148 Ų14879%0.78778%0.782SS**  trans-56.5102.5160.6-83.3-88.7000107I158 S162I158-H160 VanDerWaalsContact C-N 3.28Å; I158-H160 PolarHBondContact O-N 3.36Å; H160-S162 PolarHBondContact O-N 2.95Å
161F43.4Very low39.6Very low194 Ų194149.1 Ų149.185%0.85178%0.783SS**  trans-62.591.2157.1-76.6-84.2000105.9H159 R163H159-F161 VanDerWaalsContact C-N 3.32Å; H159-F161 PolarHBondContact O-N 3.09Å; F161-R163 VanDerWaalsContact C-N 3.27Å; F161-R163 PolarHBondContact O-N 3.25Å
162S43.3Very low39.2Very low107 Ų107148.7 Ų148.775%0.74878%0.783SS**  trans-59.298.9170.2-158.10000105.8H160 C164H160-S162 PolarHBondContact O-N 2.95Å; S162-C164 VanDerWaalsContact C-N 3.28Å; S162-C164 PolarHBondContact O-N 3.45Å
163R41.2Very low38.9Very low221 Ų221149.3 Ų149.383%0.83479%0.786SS**  trans-54.4101.5167.5-88.8-179.3167.7171.4-3105.4F161 S165F161-R163 VanDerWaalsContact C-N 3.27Å; F161-R163 PolarHBondContact O-N 3.25Å; R163-S165 PolarHBondContact O-N 3.28Å; R163-S165 PolarHBondContact O-OG 2.8Å
164C38.1Very low38.3Very low120 Ų120151.1 Ų151.181%0.81179%0.786SS**  trans-57.589.8165.6-88.40000107.5S162 T166S162-C164 VanDerWaalsContact C-N 3.28Å; S162-C164 PolarHBondContact O-N 3.45Å; C164-T166 VanDerWaalsContact C-N 3.25Å; C164-T166 PolarHBondContact O-N 2.9Å
165S40.8Very low38Very low102 Ų102156.2 Ų156.271%0.71379%0.793SS**  trans-87.368.8177.3-52.20000106.6R163R163-S165 PolarHBondContact O-N 3.28Å; R163-S165 PolarHBondContact O-OG 2.8Å
166T38.2Very low37.9Very low115 Ų115154.4 Ų154.471%0.70679%0.792SS**  trans-148.688.3171.647.80000111.4C164C164-T166 VanDerWaalsContact C-N 3.25Å; C164-T166 PolarHBondContact O-N 2.9Å
167L37.3Very low37.6Very low170 Ų170154.7 Ų154.789%0.8979%0.789SS**  -143.684126.9-14187.9000107.9R169L167-R169 PolarHBondContact O-N 2.86Å
168R33.8Very low36.9Very low234 Ų234159.4 Ų159.488%0.88380%0.803SS**  trans-56104164.9-137.3-175.3177.1161.3-0.9106S170R168-S170 PolarHBondContact O-N 3.45Å
169R30.4Very low36.5Very low235 Ų235154.5 Ų154.589%0.88779%0.789SS**  trans-72.381.5169.8-163.5178-161.2155.32.8105.9L167 D171L167-R169 PolarHBondContact O-N 2.86Å; R169-D171 PolarHBondContact O-N 2.91Å
170S37.4Very low36.1Very low101 Ų101155.2 Ų155.271%0.70679%0.793SS**  trans-61.7118.5169.8-50.80000107.1R168R168-S170 PolarHBondContact O-N 3.45Å
171D32.7Very low36.1Very low146 Ų146154.8 Ų154.878%0.78180%0.795SS**  trans-50.7165.1175.9-71.7-62.5000113.9R169R169-D171 PolarHBondContact O-N 2.91Å
172S33.3Very low35.9Very low108 Ų108151.5 Ų151.576%0.75579%0.786SS**  trans91.285.5158.778.30000117.7
173L34.4Very low35.8Very low159 Ų159154.7 Ų154.783%0.83279%0.789SS**  -146.375.9116.9-151.577.2000109.8R175L173-R175 VanDerWaalsContact C-N 3.25Å; L173-R175 HydrophobicContact CG-CB 4.41Å; L173-R175 PolarHBondContact O-N 3.47Å
174K31.2Very low36Very low218 Ų218149.9 Ų149.995%0.94879%0.787SS**  trans-63.295.2149.9-87.7-179.6173.9177.50106.4
175R32.4Very low36.2Very low214 Ų214149.3 Ų149.381%0.80878%0.779SS**  trans-125.593154.7-157.7174-140.2-1695108.5L173 T177L173-R175 VanDerWaalsContact C-N 3.25Å; L173-R175 HydrophobicContact CG-CB 4.41Å; L173-R175 PolarHBondContact O-N 3.47Å; R175-T177 PolarHBondContact O-N 3.47Å
176S34.8Very low36.7Very low108 Ų108152.4 Ų152.476%0.75578%0.783SS**  trans-40.3121.4153.7173.70000110.2
177T31.2Very low37.1Very low121 Ų121155.3 Ų155.374%0.74279%0.786SS**  trans-155.196131.5-21.50000107.6R175 G179R175-T177 PolarHBondContact O-N 3.47Å; T177-G179 PolarHBondContact O-N 3.13Å; T177-G179 VanDerWaalsContact O-N 3.15Å
178Q33.2Very low37.7Very low196 Ų196154.2 Ų154.292%0.91678%0.781SS**  trans-51.3108.6146.8-167.282.610.200106.3
179G33.2Very low38.7Very low48 Ų48150.1 Ų150.150%0.49578%0.776SS.*  trans-15877.1-178.200000107.2T177 I181T177-G179 PolarHBondContact O-N 3.13Å; T177-G179 VanDerWaalsContact O-N 3.15Å; G179-I181 PolarHBondContact O-N 3.28Å
180E35.6Very low39.1Very low172 Ų172147.3 Ų147.380%0.80477%0.77SS**  trans8.590.5137.9-162.2167.6-156.900113
181I43.1Very low39.4Very low162 Ų162148.9 Ų148.983%0.83178%0.775SS**  trans-110.289.2158.5-58.7175.1000103.5G179 E183G179-I181 PolarHBondContact O-N 3.28Å; I181-E183 PolarHBondContact O-N 3.21Å
182D38.3Very low39.7Very low125 Ų125154.7 Ų154.767%0.66879%0.794SS**  trans-44.6129.8165.9-72.3-47.3000109.6P184D182-P184 WeakPolarHBondContact O-CD 3.17Å
183E42Very low40Very low174 Ų174157.1 Ų157.181%0.81380%0.795SS**  trans-63.5117.9170.9-172.7169.4-17000107.9I181 T185I181-E183 PolarHBondContact O-N 3.21Å; E183-T185 PolarHBondContact O-N 2.75Å
184P45.6Very low40.3Very low120 Ų120156.9 Ų156.978%0.77979%0.793SS**  trans-70.1104.118025.5-30.8000109.1D182D182-P184 WeakPolarHBondContact O-CD 3.17Å
185T42.3Very low40.8Very low107 Ų107153.6 Ų153.666%0.65679%0.785SS**  trans-64.7136.8174.3-28.20000110E183 K187 D188E183-T185 PolarHBondContact O-N 2.75Å; T185-K187 PolarHBondContact O-N 2.91Å; T185-D188 PolarHBondContact O-N 3.29Å
186E50.7Low41.3Very low167 Ų167150 Ų15078%0.7878%0.784SS**G310 helixtrans-56-4.5-173.8-167.6173.2179.900116.2D188E186-D188 PolarHBondContact O-N 3.3Å
187K46.4Very low41.7Very low176 Ų176152.6 Ų152.677%0.76579%0.785SS**G310 helixtrans-78.7-14.3-178.2-61.7-172.4-179.5-179.60114.3T185T185-K187 PolarHBondContact O-N 2.91Å
188D50.9Low42.4Very low147 Ų147154.7 Ų154.779%0.78679%0.788SS**G310 helixtrans-87.4-4.2-179.7-76.9-13.1000114.8T185 E186T185-D188 PolarHBondContact O-N 3.29Å; E186-D188 PolarHBondContact O-N 3.3Å
189L53.4Low43.1Very low149 Ų149151.8 Ų151.878%0.7878%0.779SS**G310 helixtrans-97.7-3.7177.7-101.796.5000115.5
190F39.5Very low43.8Very low176 Ų176159.8 Ų159.877%0.77280%0.801SS**  trans-135.167.8179-66-80.4000111.6
191V42.8Very low44.5Very low134 Ų134158.8 Ų158.881%0.81280%0.801SS**  trans-96.4117151.8-176.90000107.1
192K39Very low44.6Very low268 Ų268158.5 Ų158.5100%1.16580%0.798SS**  trans-52.90176.2-173.7179.5-177.9-179.70113

Retrieved 192 of 192 residues in 89 ms (Link to these results)

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