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Monoacylglycerol lipase ABHD6

Lipase that preferentially hydrolysis medium-chain saturated monoacylglycerols including 2-arachidonoylglycerol. Through 2-arachidonoylglycerol degradation may regulate endocannabinoid signaling pathways. Also has a lysophosphatidyl lipase activity with a preference for lysophosphatidylglycerol among other lysophospholipids. Also able to degrade bis(monoacylglycero)phosphate (BMP) and constitutes the major enzyme for BMP catabolism. BMP, also known as lysobisphosphatidic acid, is enriched in late endosomes and lysosomes and plays a key role in the formation of intraluminal vesicles and in lipid sorting.

AlphaFold DB , UniProt , Accession A0A096NRE0, Species PAPAN (Papio anubis, Olive baboon), Gene ABHD6, Length 337 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
1M55.6Low71.2Confident210 Ų210112.5 Ų112.5100%1.03460%0.596SS**  0115.90-101.7-177.8-78.100106.3
2D72Confident71.1Confident120 Ų120106.8 Ų106.864%0.64258%0.577SS**  trans-58139.7179-82.3-43.5000110.9D4 V5 V6D2-D4 PolarHBondContact O-N 3.46Å; D2-D4 VanDerWaalsContact O-N 3.09Å; D2-V5 HydrophobicContact CB-CG2 4.24Å; D2-V5 WeakPolarHBondContact O-CB 3.48Å; D2-V5 PolarHBondContact O-N 3.09Å; D2-V6 PolarHBondContact O-N 3.25Å
3V66.4Low71.1Confident105 Ų105101.5 Ų101.564%0.63656%0.562SS**Hα-helixtrans-53-30.5176.9177.90000111V6 N7V3-V6 PolarHBondContact O-N 3.39Å; V3-N7 WeakPolarHBondContact O-CB 3.44Å; V3-N7 PolarHBondContact O-N 3.15Å
4D73.6Confident71Confident124 Ų12495.9 Ų95.966%0.66354%0.54SS*.Hα-helixtrans-66.8-35.3176.3-66.1-32.3000113.6D2 M8D2-D4 PolarHBondContact O-N 3.46Å; D2-D4 VanDerWaalsContact O-N 3.09Å; D4-M8 VanDerWaalsContact O-CB 3.27Å; D4-M8 WeakPolarHBondContact O-CB 3.48Å; D4-M8 PolarHBondContact O-N 3.15Å
5V70.1Confident71.6Confident56 Ų5695.7 Ų95.734%0.33954%0.541SS..Hα-helixtrans-70.8-40.9177.5178.40000110.1D2 M8 F9D2-V5 HydrophobicContact CB-CG2 4.24Å; D2-V5 WeakPolarHBondContact O-CB 3.48Å; D2-V5 PolarHBondContact O-N 3.09Å; V5-M8 PolarHBondContact O-N 3.44Å; V5-F9 HydrophobicContact CG1-CD2 3.8Å; V5-F9 HydrophobicContact CG1-CE2 3.56Å; V5-F9 WeakPolarHBondContact O-CD2 3.45Å; V5-F9 PolarHBondContact O-N 3.13Å
6V73.3Confident72Confident73 Ų7397.2 Ų97.244%0.44255%0.547SS..Hα-helixtrans-65.2-45.5176.2179.10000110.8D2 V3 M8 F9 V10D2-V6 PolarHBondContact O-N 3.25Å; V3-V6 PolarHBondContact O-N 3.39Å; V6-M8 VanDerWaalsContact C-N 3.33Å; V6-M8 PolarHBondContact O-N 3.13Å; V6-F9 PolarHBondContact O-N 3.4Å; V6-V10 HydrophobicContact CG1-CG2 4.47Å; V6-V10 VanDerWaalsContact O-CG2 3.31Å; V6-V10 WeakPolarHBondContact O-CG2 3.45Å; V6-V10 PolarHBondContact O-N 3.43Å
7N75.8Confident72.6Confident82 Ų8294 Ų9444%0.43954%0.535SS..Hα-helixtrans-62-39.7175.5-79.5-19.9000112.2V3 F9 V10 I11V3-N7 WeakPolarHBondContact O-CB 3.44Å; V3-N7 PolarHBondContact O-N 3.15Å; N7-F9 PolarHBondContact O-N 3.08Å; N7-V10 PolarHBondContact O-N 3.39Å; N7-I11 WeakPolarHBondContact O-CB 3.42Å; N7-I11 WeakPolarHBondContact O-CD1 3.27Å; N7-I11 WeakPolarHBondContact O-CG1 3.26Å; N7-I11 PolarHBondContact O-N 3.18Å
8M73.1Confident73.3Confident116 Ų11695.2 Ų95.257%0.57154%0.539SS*.Hα-helixtrans-62.2-42.2175.2-170.6-175.973.800111.8D4 V5 V6 A12D4-M8 VanDerWaalsContact O-CB 3.27Å; D4-M8 WeakPolarHBondContact O-CB 3.48Å; D4-M8 PolarHBondContact O-N 3.15Å; V5-M8 PolarHBondContact O-N 3.44Å; V6-M8 VanDerWaalsContact C-N 3.33Å; V6-M8 PolarHBondContact O-N 3.13Å; M8-A12 WeakPolarHBondContact O-CB 3.47Å; M8-A12 PolarHBondContact O-N 3.44Å
9F72.8Confident73.9Confident139 Ų13994.1 Ų94.161%0.6154%0.536SS*.Hα-helixtrans-68.6-35.7175.3-80.5-66.6000113.2V5 V6 N7 G13V5-F9 HydrophobicContact CG1-CD2 3.8Å; V5-F9 HydrophobicContact CG1-CE2 3.56Å; V5-F9 WeakPolarHBondContact O-CD2 3.45Å; V5-F9 PolarHBondContact O-N 3.13Å; V6-F9 PolarHBondContact O-N 3.4Å; N7-F9 PolarHBondContact O-N 3.08Å; F9-G13 WeakPolarHBondContact O-CA 3.44Å; F9-G13 PolarHBondContact O-N 3.4Å
10V75Confident74.5Confident98 Ų9894.5 Ų94.559%0.59454%0.535SS*.Hα-helixtrans-68.1-42.6175.51710000111V6 N7 G14V6-V10 HydrophobicContact CG1-CG2 4.47Å; V6-V10 VanDerWaalsContact O-CG2 3.31Å; V6-V10 WeakPolarHBondContact O-CG2 3.45Å; V6-V10 PolarHBondContact O-N 3.43Å; N7-V10 PolarHBondContact O-N 3.39Å; V10-G14 PolarHBondContact O-N 2.84Å
11I75.1Confident75Confident115 Ų11595.4 Ų95.459%0.5954%0.538SS*.Hα-helixtrans-66-51.1176.1-67.3165.2000109.8N7 G13 G14 T15N7-I11 WeakPolarHBondContact O-CB 3.42Å; N7-I11 WeakPolarHBondContact O-CD1 3.27Å; N7-I11 WeakPolarHBondContact O-CG1 3.26Å; N7-I11 PolarHBondContact O-N 3.18Å; I11-G13 PolarHBondContact O-N 3.39Å; I11-G14 PolarHBondContact O-N 3.38Å; I11-T15 PolarHBondContact O-N 3.16Å; I11-T15 PolarHBondContact O-OG1 3.29Å
12A69.8Low76.3Confident44 Ų4487.9 Ų87.936%0.36451%0.509SS..Hα-helixtrans-59.8-45.1178.900000111.9M8 T15 L16M8-A12 WeakPolarHBondContact O-CB 3.47Å; M8-A12 PolarHBondContact O-N 3.44Å; A12-T15 VanDerWaalsContact CA-OG1 3.25Å; A12-T15 WeakPolarHBondContact CA-OG1 3.41Å; A12-T15 PolarHBondContact O-N 3.26Å; A12-T15 PolarHBondContact O-OG1 3Å; A12-L16 PolarHBondContact O-N 2.97Å
13G71.1Confident76.9Confident37 Ų3787.8 Ų87.838%0.38150%0.503SS..Hα-helixtrans-61.1-44.9174.400000111.9F9 I11 L16 A17F9-G13 WeakPolarHBondContact O-CA 3.44Å; F9-G13 PolarHBondContact O-N 3.4Å; I11-G13 PolarHBondContact O-N 3.39Å; G13-L16 PolarHBondContact O-N 2.93Å; G13-A17 WeakPolarHBondContact O-CA 3.36Å; G13-A17 WeakPolarHBondContact O-CB 3.39Å; G13-A17 PolarHBondContact O-N 3.35Å
14G70.1Confident77.8Confident24 Ų2485.9 Ų85.925%0.24749%0.492CS..Hα-helixtrans-63.2-43.6175.300000113.2V10 I11 L16 I18V10-G14 PolarHBondContact O-N 2.84Å; I11-G14 PolarHBondContact O-N 3.38Å; G14-L16 PolarHBondContact O-N 3.41Å; G14-I18 VanDerWaalsContact O-CB 3.29Å; G14-I18 WeakPolarHBondContact O-CB 3.5Å; G14-I18 WeakPolarHBondContact O-CD1 3.28Å; G14-I18 VanDerWaalsContact O-CG1 3.25Å; G14-I18 WeakPolarHBondContact O-CG1 3.35Å; G14-I18 PolarHBondContact O-N 3.1Å
15T79.5Confident78.4Confident92 Ų9281.8 Ų81.856%0.56448%0.475SS*.Hα-helixtrans-63.6-25.7177.931.70000114I11 A12 P19I11-T15 PolarHBondContact O-N 3.16Å; I11-T15 PolarHBondContact O-OG1 3.29Å; A12-T15 VanDerWaalsContact CA-OG1 3.25Å; A12-T15 WeakPolarHBondContact CA-OG1 3.41Å; A12-T15 PolarHBondContact O-N 3.26Å; A12-T15 PolarHBondContact O-OG1 3Å; T15-P19 WeakPolarHBondContact O-CD 3.32Å; T15-P19 VanDerWaalsContact O-CG 3.24Å; T15-P19 WeakPolarHBondContact O-CG 3.1Å
16L78.3Confident78.9Confident120 Ų12080.8 Ų80.863%0.62847%0.471SS*.Hα-helixtrans-98.4-42.6177.2-71.2168.4000112.2A12 G13 G14 P19 I20A12-L16 PolarHBondContact O-N 2.97Å; G13-L16 PolarHBondContact O-N 2.93Å; G14-L16 PolarHBondContact O-N 3.41Å; L16-P19 WeakPolarHBondContact O-CD 3.37Å; L16-I20 WeakPolarHBondContact O-CB 3.34Å; L16-I20 VanDerWaalsContact O-CD1 3.26Å; L16-I20 WeakPolarHBondContact O-CD1 3.3Å; L16-I20 WeakPolarHBondContact O-CG1 3.34Å; L16-I20 PolarHBondContact O-N 3.08Å
17A82.7Confident79.3Confident43 Ų4379.7 Ų79.736%0.35546%0.46SS..Hα-helixtrans-69.2-39.7-176.800000112.2G13 I20 L21G13-A17 WeakPolarHBondContact O-CA 3.36Å; G13-A17 WeakPolarHBondContact O-CB 3.39Å; G13-A17 PolarHBondContact O-N 3.35Å; A17-I20 PolarHBondContact O-N 2.91Å; A17-L21 VanDerWaalsContact O-CB 3.27Å; A17-L21 WeakPolarHBondContact O-CB 3.12Å; A17-L21 WeakPolarHBondContact O-CG 3.36Å; A17-L21 PolarHBondContact O-N 3.46Å
18I84.5Confident79.6Confident116 Ų11680.6 Ų80.660%0.59546%0.464SS*.Hα-helixtrans-64.4-49.6-178.3-64.4168.3000111.2G14 I20 L21 A22G14-I18 VanDerWaalsContact O-CB 3.29Å; G14-I18 WeakPolarHBondContact O-CB 3.5Å; G14-I18 WeakPolarHBondContact O-CD1 3.28Å; G14-I18 VanDerWaalsContact O-CG1 3.25Å; G14-I18 WeakPolarHBondContact O-CG1 3.35Å; G14-I18 PolarHBondContact O-N 3.1Å; I18-I20 VanDerWaalsContact C-N 3.33Å; I18-I20 PolarHBondContact O-N 3.36Å; I18-L21 PolarHBondContact O-N 2.95Å; I18-A22 VanDerWaalsContact O-CB 3.24Å; I18-A22 WeakPolarHBondContact O-CB 3.45Å; I18-A22 PolarHBondContact O-N 3.5Å
19P85Confident80.3Confident74 Ų7480.6 Ų80.648%0.48147%0.466SS..Hα-helixtrans-62.5-37.2175.2-25.536.1000113.5T15 L16 F23T15-P19 WeakPolarHBondContact O-CD 3.32Å; T15-P19 VanDerWaalsContact O-CG 3.24Å; T15-P19 WeakPolarHBondContact O-CG 3.1Å; L16-P19 WeakPolarHBondContact O-CD 3.37Å; P19-F23 VanDerWaalsContact O-CB 3.29Å; P19-F23 WeakPolarHBondContact O-CB 3.31Å; P19-F23 PolarHBondContact O-N 3.39Å
20I85.6Confident81Confident102 Ų10281.3 Ų81.352%0.52347%0.465SS..Hα-helixtrans-65.7-48.8177.1-69.1168.2000110.4L16 A17 I18 A22 F23 V24L16-I20 WeakPolarHBondContact O-CB 3.34Å; L16-I20 VanDerWaalsContact O-CD1 3.26Å; L16-I20 WeakPolarHBondContact O-CD1 3.3Å; L16-I20 WeakPolarHBondContact O-CG1 3.34Å; L16-I20 PolarHBondContact O-N 3.08Å; A17-I20 PolarHBondContact O-N 2.91Å; I18-I20 VanDerWaalsContact C-N 3.33Å; I18-I20 PolarHBondContact O-N 3.36Å; I20-A22 VanDerWaalsContact C-N 3.34Å; I20-A22 PolarHBondContact O-N 3.49Å; I20-F23 PolarHBondContact O-N 3.39Å; I20-V24 HydrophobicContact CG2-CG2 4.33Å; I20-V24 WeakPolarHBondContact O-CB 3.24Å; I20-V24 VanDerWaalsContact O-CG2 3.28Å; I20-V24 WeakPolarHBondContact O-CG2 3.42Å; I20-V24 PolarHBondContact O-N 3.24Å
21L86.4Confident81.6Confident113 Ų11377.3 Ų77.359%0.59244%0.44SS*.Hα-helixtrans-63.4-40.5177.7-72.5170.7000111.5A17 I18 F23 V24 A25A17-L21 VanDerWaalsContact O-CB 3.27Å; A17-L21 WeakPolarHBondContact O-CB 3.12Å; A17-L21 WeakPolarHBondContact O-CG 3.36Å; A17-L21 PolarHBondContact O-N 3.46Å; I18-L21 PolarHBondContact O-N 2.95Å; L21-F23 VanDerWaalsContact C-N 3.34Å; L21-V24 PolarHBondContact O-N 3.34Å; L21-A25 WeakPolarHBondContact O-CB 3.5Å; L21-A25 PolarHBondContact O-N 3.35Å
22A82.8Confident82.3Confident52 Ų5273.3 Ų73.343%0.4342%0.423SS..Hα-helixtrans-63.6-40.1174.700000111.8I18 I20 S26I18-A22 VanDerWaalsContact O-CB 3.24Å; I18-A22 WeakPolarHBondContact O-CB 3.45Å; I18-A22 PolarHBondContact O-N 3.5Å; I20-A22 VanDerWaalsContact C-N 3.34Å; I20-A22 PolarHBondContact O-N 3.49Å; A22-S26 VanDerWaalsContact O-CB 3.25Å; A22-S26 WeakPolarHBondContact O-CB 3.49Å; A22-S26 PolarHBondContact O-N 3.13Å; A22-S26 PolarHBondContact O-OG 3.07Å
23F84Confident83.3Confident119 Ų11973 Ų7352%0.52242%0.42SS..Hα-helixtrans-65.7-47.3174.5176.8-97000111.7P19 I20 L21 S26 F27 L34P19-F23 VanDerWaalsContact O-CB 3.29Å; P19-F23 WeakPolarHBondContact O-CB 3.31Å; P19-F23 PolarHBondContact O-N 3.39Å; I20-F23 PolarHBondContact O-N 3.39Å; L21-F23 VanDerWaalsContact C-N 3.34Å; F23-S26 PolarHBondContact O-N 3.47Å; F23-F27 VanDerWaalsContact O-CB 3.28Å; F23-F27 WeakPolarHBondContact O-CB 3.39Å; F23-F27 PolarHBondContact O-N 2.88Å; F23-L34 HydrophobicContact CD2-CD2 4.32Å; F23-L34 HydrophobicContact CE2-CD1 4.26Å; F23-L34 HydrophobicContact CE2-CD2 4.18Å
24V85.3Confident84.2Confident65 Ų6573 Ų7339%0.39441%0.411SS..Hα-helixtrans-61.7-47177.5170.90000110.5I20 L21 S26 F27 L28I20-V24 HydrophobicContact CG2-CG2 4.33Å; I20-V24 WeakPolarHBondContact O-CB 3.24Å; I20-V24 VanDerWaalsContact O-CG2 3.28Å; I20-V24 WeakPolarHBondContact O-CG2 3.42Å; I20-V24 PolarHBondContact O-N 3.24Å; L21-V24 PolarHBondContact O-N 3.34Å; V24-S26 PolarHBondContact O-N 3.15Å; V24-F27 PolarHBondContact O-N 3.17Å; V24-L28 HydrophobicContact CG1-CD1 3.8Å; V24-L28 HydrophobicContact CG1-CG 4.41Å; V24-L28 WeakPolarHBondContact O-CB 3.39Å; V24-L28 VanDerWaalsContact O-CG 3.27Å; V24-L28 WeakPolarHBondContact O-CG 3.47Å; V24-L28 PolarHBondContact O-N 3.2Å
25A85.4Confident85.3Confident38 Ų3872.8 Ų72.831%0.31440%0.404SS..Hα-helixtrans-60.3-44.6175.700000111.3L21 F27 L28 L29L21-A25 WeakPolarHBondContact O-CB 3.5Å; L21-A25 PolarHBondContact O-N 3.35Å; A25-F27 VanDerWaalsContact C-N 3.34Å; A25-F27 PolarHBondContact O-N 2.88Å; A25-L28 PolarHBondContact O-N 3.01Å; A25-L29 VanDerWaalsContact O-CB 3.24Å; A25-L29 WeakPolarHBondContact O-CB 3.32Å; A25-L29 WeakPolarHBondContact O-CG 3.41Å; A25-L29 PolarHBondContact O-N 3.48Å
26S80.4Confident86Confident35 Ų3575.1 Ų75.125%0.24540%0.403CS..Hα-helixtrans-64.1-38.6176.3-59.30000112.3A22 F23 V24 L28 W30A22-S26 VanDerWaalsContact O-CB 3.25Å; A22-S26 WeakPolarHBondContact O-CB 3.49Å; A22-S26 PolarHBondContact O-N 3.13Å; A22-S26 PolarHBondContact O-OG 3.07Å; F23-S26 PolarHBondContact O-N 3.47Å; V24-S26 PolarHBondContact O-N 3.15Å; S26-L28 VanDerWaalsContact C-N 3.34Å; S26-W30 CarbonylContact O-C 3.49Å; S26-W30 VanDerWaalsContact O-CA 3.32Å; S26-W30 WeakPolarHBondContact O-CA 3.33Å; S26-W30 PolarHBondContact O-N 2.87Å
27F82.9Confident86.7Confident50 Ų5074 Ų7422%0.21940%0.396CS..Hα-helixtrans-65.9-36.7177.1-178.4-99.1000112.6F23 V24 A25 L34 Q227 I228F23-F27 VanDerWaalsContact O-CB 3.28Å; F23-F27 WeakPolarHBondContact O-CB 3.39Å; F23-F27 PolarHBondContact O-N 2.88Å; V24-F27 PolarHBondContact O-N 3.17Å; A25-F27 VanDerWaalsContact C-N 3.34Å; A25-F27 PolarHBondContact O-N 2.88Å; F27-L34 VanDerWaalsContact CA-CD1 3.46Å; F27-L34 HydrophobicContact CB-CD1 3.7Å; F27-L34 HydrophobicContact CD2-CD1 3.68Å; F27-L34 HydrophobicContact CG-CD1 4.18Å; F27-Q227 HydrophobicContact CD1-CB 4.09Å; F27-Q227 HydrophobicContact CD1-CG 4.07Å; F27-Q227 HydrophobicContact CE1-CB 3.51Å; F27-Q227 HydrophobicContact CE1-CG 3.57Å; F27-Q227 HydrophobicContact CE2-CB 3.99Å; F27-Q227 HydrophobicContact CZ-CB 3.46Å; F27-Q227 VanDerWaalsContact CZ-CB 3.46Å; F27-Q227 HydrophobicContact CZ-CG 4.06Å; F27-I228 HydrophobicContact CE2-CG1 3.99Å
28L82.6Confident87.3Confident100 Ų10077.9 Ų77.952%0.52440%0.403SS..Hα-helixtrans-84.5-38.6-179-66.2175.2000113V24 A25 S26 Q227V24-L28 HydrophobicContact CG1-CD1 3.8Å; V24-L28 HydrophobicContact CG1-CG 4.41Å; V24-L28 WeakPolarHBondContact O-CB 3.39Å; V24-L28 VanDerWaalsContact O-CG 3.27Å; V24-L28 WeakPolarHBondContact O-CG 3.47Å; V24-L28 PolarHBondContact O-N 3.2Å; A25-L28 PolarHBondContact O-N 3.01Å; S26-L28 VanDerWaalsContact C-N 3.34Å; L28-Q227 HydrophobicContact CD2-CG 4.37Å
29L86.1Confident87.8Confident116 Ų11674.4 Ų74.461%0.60738%0.382SS*.Hα-helixtrans-101.1-29.3-170.9-57.8176000113.6A25A25-L29 VanDerWaalsContact O-CB 3.24Å; A25-L29 WeakPolarHBondContact O-CB 3.32Å; A25-L29 WeakPolarHBondContact O-CG 3.41Å; A25-L29 PolarHBondContact O-N 3.48Å
30W87.9Confident88.3Confident155 Ų15577.3 Ų77.359%0.58738%0.384SS*.  trans-137.558.1-176.1-56.8-57.9000112.4S26 S32 A33S26-W30 CarbonylContact O-C 3.49Å; S26-W30 VanDerWaalsContact O-CA 3.32Å; S26-W30 WeakPolarHBondContact O-CA 3.33Å; S26-W30 PolarHBondContact O-N 2.87Å; W30-S32 PolarHBondContact O-N 2.88Å; W30-S32 VanDerWaalsContact O-N 3.14Å; W30-A33 HydrophobicContact CB-CB 4.05Å; W30-A33 WeakPolarHBondContact O-CB 3.04Å; W30-A33 PolarHBondContact O-N 2.78Å
31P88.4Confident88.9Confident13 Ų1378.3 Ų78.38%0.08438%0.382CS..Hα-helixtrans-60.4-30.4-175.426.1-35.3000112.5A33 L34 I35 Q227 Q230P31-A33 VanDerWaalsContact C-N 3.31Å; P31-A33 PolarHBondContact O-N 2.78Å; P31-L34 PolarHBondContact O-N 3.38Å; P31-I35 PolarHBondContact O-N 2.8Å; P31-Q227 VanDerWaalsContact CB-O 3.24Å; P31-Q227 WeakPolarHBondContact CB-O 3.44Å; P31-Q230 HydrophobicContact CG-CB 4.31Å; P31-Q230 HydrophobicContact CG-CG 4.09Å
32S89.8Confident89.4Confident31 Ų3175.9 Ų75.922%0.21737%0.365CS..Hα-helixtrans-62.5-31.9173.864.60000114W30 L34 I35 R36W30-S32 PolarHBondContact O-N 2.88Å; W30-S32 VanDerWaalsContact O-N 3.14Å; S32-L34 VanDerWaalsContact C-N 3.33Å; S32-I35 PolarHBondContact O-N 3.31Å; S32-R36 WeakPolarHBondContact O-CG 3.49Å; S32-R36 PolarHBondContact O-N 3.05Å
33A90.7Very high90.1Very high37 Ų3775.4 Ų75.431%0.30635%0.352SS..Hα-helixtrans-65.4-39.6176.300000110.8W30 P31 I35 R36 I37W30-A33 HydrophobicContact CB-CB 4.05Å; W30-A33 WeakPolarHBondContact O-CB 3.04Å; W30-A33 PolarHBondContact O-N 2.78Å; P31-A33 VanDerWaalsContact C-N 3.31Å; P31-A33 PolarHBondContact O-N 2.78Å; A33-I35 PolarHBondContact O-N 2.88Å; A33-R36 PolarHBondContact O-N 3.41Å; A33-I37 WeakPolarHBondContact O-CB 3.44Å; A33-I37 VanDerWaalsContact O-CG1 3.25Å; A33-I37 WeakPolarHBondContact O-CG1 3.32Å; A33-I37 PolarHBondContact O-N 3.14Å
34L89.9Confident90.7Very high37 Ų3778.4 Ų78.419%0.19436%0.36CS..Hα-helixtrans-64.6-39.3175.8-65-177.7000112.2F23 F27 P31 S32 I37 Y38F23-L34 HydrophobicContact CD2-CD2 4.32Å; F23-L34 HydrophobicContact CE2-CD1 4.26Å; F23-L34 HydrophobicContact CE2-CD2 4.18Å; F27-L34 VanDerWaalsContact CA-CD1 3.46Å; F27-L34 HydrophobicContact CB-CD1 3.7Å; F27-L34 HydrophobicContact CD2-CD1 3.68Å; F27-L34 HydrophobicContact CG-CD1 4.18Å; P31-L34 PolarHBondContact O-N 3.38Å; S32-L34 VanDerWaalsContact C-N 3.33Å; L34-I37 PolarHBondContact O-N 2.83Å; L34-Y38 VanDerWaalsContact O-CB 3.3Å; L34-Y38 WeakPolarHBondContact O-CB 3.31Å; L34-Y38 PolarHBondContact O-N 3.06Å
35I93.3Very high91.2Very high21 Ų2178.5 Ų78.511%0.10836%0.361CS..Hα-helixtrans-61.6-44.5174.1-59.5-54.5000110.8P31 S32 A33 Y38 Y39 I228 L232 V235P31-I35 PolarHBondContact O-N 2.8Å; S32-I35 PolarHBondContact O-N 3.31Å; A33-I35 PolarHBondContact O-N 2.88Å; I35-Y38 WeakPolarHBondContact O-CB 3.41Å; I35-Y38 PolarHBondContact O-N 2.93Å; I35-Y39 HydrophobicContact CG2-CD2 3.84Å; I35-Y39 HydrophobicContact CG2-CE2 3.47Å; I35-Y39 VanDerWaalsContact CG2-CE2 3.47Å; I35-Y39 WeakPolarHBondContact O-CD2 3.27Å; I35-Y39 PolarHBondContact O-N 3.08Å; I35-Y39 VanDerWaalsContact O-N 3.08Å; I35-I228 HydrophobicContact CD1-CG2 4.46Å; I35-L232 HydrophobicContact CD1-CD2 4.09Å; I35-L232 HydrophobicContact CD1-CG 4.26Å; I35-L232 HydrophobicContact CG1-CD2 4.46Å; I35-L232 HydrophobicContact CG2-CD2 4.3Å; I35-V235 HydrophobicContact CB-CG1 4.3Å; I35-V235 HydrophobicContact CG2-CG1 4.26Å; I35-V235 HydrophobicContact CG2-CG2 4.28Å
36R93.3Very high91.8Very high141 Ų14177.9 Ų77.953%0.53235%0.352SS..Hα-helixtrans-64.3-42.3177.4-68.6177.1-173-82-3.6112S32 A33 Y39 W40 V235S32-R36 WeakPolarHBondContact O-CG 3.49Å; S32-R36 PolarHBondContact O-N 3.05Å; A33-R36 PolarHBondContact O-N 3.41Å; R36-Y39 PolarHBondContact O-N 3.28Å; R36-W40 WeakPolarHBondContact O-CB 3.39Å; R36-W40 PolarHBondContact O-N 3.02Å; R36-V235 HydrophobicContact CG-CG1 4.41Å
37I93.6Very high92.6Very high95 Ų9578.2 Ų78.249%0.48736%0.361SS..Hα-helixtrans-63.7-42.8175.8-70.1164.8000110.6A33 L34 Y39 W40 Y41A33-I37 WeakPolarHBondContact O-CB 3.44Å; A33-I37 VanDerWaalsContact O-CG1 3.25Å; A33-I37 WeakPolarHBondContact O-CG1 3.32Å; A33-I37 PolarHBondContact O-N 3.14Å; L34-I37 PolarHBondContact O-N 2.83Å; I37-Y39 PolarHBondContact O-N 2.99Å; I37-W40 PolarHBondContact O-N 2.7Å; I37-Y41 WeakPolarHBondContact O-CB 3.38Å; I37-Y41 PolarHBondContact O-N 2.89Å
38Y94.4Very high93.3Very high126 Ų12676.2 Ų76.249%0.49435%0.352SS..Hα-helixtrans-56.2-51.2176.1169.8-92000111.3L34 I35 W40 Y41 W42L34-Y38 VanDerWaalsContact O-CB 3.3Å; L34-Y38 WeakPolarHBondContact O-CB 3.31Å; L34-Y38 PolarHBondContact O-N 3.06Å; I35-Y38 WeakPolarHBondContact O-CB 3.41Å; I35-Y38 PolarHBondContact O-N 2.93Å; Y38-W40 PolarHBondContact O-N 3.34Å; Y38-Y41 PolarHBondContact O-N 3.24Å; Y38-W42 AromaticContact CD2-CD1 3.66Å; Y38-W42 AromaticContact CD2-NE1 3.72Å; Y38-W42 AromaticContact CE1-CD1 3.8Å; Y38-W42 AromaticContact CE2-CD1 3.3Å; Y38-W42 AromaticContact CE2-NE1 3.08Å; Y38-W42 AromaticContact CZ-CD1 3.35Å; Y38-W42 AromaticContact CZ-NE1 3.43Å; Y38-W42 PolarHBondContact O-N 2.87Å
39Y95.8Very high94Very high43 Ų4376.6 Ų76.617%0.16935%0.351CS..Hα-helixtrans-66.4-38.7178.2-70.1-55.8000112.3I35 R36 I37 Y41 W42 R43 H83 D85 L88I35-Y39 HydrophobicContact CG2-CD2 3.84Å; I35-Y39 HydrophobicContact CG2-CE2 3.47Å; I35-Y39 VanDerWaalsContact CG2-CE2 3.47Å; I35-Y39 WeakPolarHBondContact O-CD2 3.27Å; I35-Y39 PolarHBondContact O-N 3.08Å; I35-Y39 VanDerWaalsContact O-N 3.08Å; R36-Y39 PolarHBondContact O-N 3.28Å; I37-Y39 PolarHBondContact O-N 2.99Å; Y39-Y41 PolarHBondContact O-N 2.82Å; Y39-W42 PolarHBondContact O-N 2.97Å; Y39-R43 WeakPolarHBondContact O-CB 3.16Å; Y39-R43 WeakPolarHBondContact O-CG 3.36Å; Y39-R43 PolarHBondContact O-N 3.31Å; Y39-H83 AromaticContact CD2-CE1 3.99Å; Y39-H83 AromaticContact CE1-CE1 3.9Å; Y39-H83 AromaticContact CE2-CE1 3.47Å; Y39-H83 VanDerWaalsContact CE2-CE1 3.47Å; Y39-H83 WeakPolarHBondContact CE2-CE1 3.25Å; Y39-H83 AromaticContact CE2-NE2 3.72Å; Y39-H83 AromaticContact CZ-CE1 3.43Å; Y39-H83 VanDerWaalsContact CZ-CE1 3.43Å; Y39-H83 AromaticContact CZ-NE2 3.64Å; Y39-H83 PolarHBondContact OH-NE2 3.29Å; Y39-D85 HydrophobicContact CD1-CB 3.62Å; Y39-D85 HydrophobicContact CE1-CB 4Å; Y39-D85 HydrophobicContact CG-CB 4.11Å; Y39-L88 HydrophobicContact CD1-CD1 4.16Å
40W96.2Very high94.6Very high134 Ų13473.7 Ų73.751%0.50834%0.338SS..Hα-helixtrans-59.6-46.1174.3172.890.3000112.2R36 I37 Y38 R43 R44R36-W40 WeakPolarHBondContact O-CB 3.39Å; R36-W40 PolarHBondContact O-N 3.02Å; I37-W40 PolarHBondContact O-N 2.7Å; Y38-W40 PolarHBondContact O-N 3.34Å; W40-R43 VanDerWaalsContact CA-NH2 3.31Å; W40-R43 PolarHBondContact O-N 3.48Å; W40-R44 PolarHBondContact O-N 2.86Å
41Y97.1Very high95.1Very high124 Ų12472.7 Ų72.749%0.48633%0.334SS..Hα-helixtrans-60.8-48.7177.8171.1-97.3000111.2I37 Y38 Y39 R44 T45I37-Y41 WeakPolarHBondContact O-CB 3.38Å; I37-Y41 PolarHBondContact O-N 2.89Å; Y38-Y41 PolarHBondContact O-N 3.24Å; Y39-Y41 PolarHBondContact O-N 2.82Å; Y41-R44 PolarHBondContact O-N 3.44Å; Y41-T45 HydrophobicContact CD1-CG2 4.35Å; Y41-T45 HydrophobicContact CD2-CG2 4.15Å; Y41-T45 HydrophobicContact CE1-CG2 3.92Å; Y41-T45 HydrophobicContact CE2-CG2 3.69Å; Y41-T45 HydrophobicContact CG-CG2 4.46Å; Y41-T45 WeakPolarHBondContact O-CG2 3.43Å; Y41-T45 PolarHBondContact O-N 3.34Å; Y41-T45 PolarHBondContact O-OG1 3.41Å
42W97.6Very high95.5Very high61 Ų6177.7 Ų77.723%0.23135%0.353CS..Hα-helixtrans-67.5-36.8-180-81.9108.3000113.2Y38 Y39 R44 T45 L46 L88 K92Y38-W42 AromaticContact CD2-CD1 3.66Å; Y38-W42 AromaticContact CD2-NE1 3.72Å; Y38-W42 AromaticContact CE1-CD1 3.8Å; Y38-W42 AromaticContact CE2-CD1 3.3Å; Y38-W42 AromaticContact CE2-NE1 3.08Å; Y38-W42 AromaticContact CZ-CD1 3.35Å; Y38-W42 AromaticContact CZ-NE1 3.43Å; Y38-W42 PolarHBondContact O-N 2.87Å; Y39-W42 PolarHBondContact O-N 2.97Å; W42-R44 PolarHBondContact O-N 3.33Å; W42-T45 WeakPolarHBondContact CA-OG1 3.39Å; W42-T45 PolarHBondContact O-OG1 3.1Å; W42-T45 VanDerWaalsContact O-OG1 3.09Å; W42-L46 HydrophobicContact CE3-CD1 4.16Å; W42-L46 HydrophobicContact CE3-CD2 4.45Å; W42-L46 HydrophobicContact CE3-CG 4.13Å; W42-L46 VanDerWaalsContact O-CB 3.25Å; W42-L46 WeakPolarHBondContact O-CB 3.28Å; W42-L46 WeakPolarHBondContact O-CG 3.3Å; W42-L46 PolarHBondContact O-N 3.46Å; W42-L88 HydrophobicContact CB-CD1 3.87Å; W42-K92 HydrophobicContact CH2-CD 4.16Å; W42-K92 HydrophobicContact CZ3-CD 3.94Å
43R97.3Very high95.9Very high42 Ų4277.4 Ų77.416%0.15835%0.349CS..Hα-helixtrans-57.3-50.8171-78-171.5-65.9-88.81111.1Y39 W40 L46 G47 M48 D85 L88Y39-R43 WeakPolarHBondContact O-CB 3.16Å; Y39-R43 WeakPolarHBondContact O-CG 3.36Å; Y39-R43 PolarHBondContact O-N 3.31Å; W40-R43 VanDerWaalsContact CA-NH2 3.31Å; W40-R43 PolarHBondContact O-N 3.48Å; R43-L46 PolarHBondContact O-N 3.21Å; R43-G47 PolarHBondContact O-N 3.12Å; R43-G47 VanDerWaalsContact O-N 3.12Å; R43-M48 HydrophobicContact CB-CB 4.12Å; R43-M48 HydrophobicContact CG-CB 4.21Å; R43-M48 PolarHBondContact O-N 3.49Å; R43-D85 VanDerWaalsContact CD-OD1 3.26Å; R43-D85 WeakPolarHBondContact CD-OD1 3.4Å; R43-D85 WeakPolarHBondContact CG-OD1 3.26Å; R43-D85 IonicContact CZ-OD1 3.86Å; R43-D85 IonicContact NE-OD1 3.99Å; R43-D85 IonicContact NH1-OD1 2.9Å; R43-D85 PolarHBondContact NH1-OD1 2.96Å; R43-D85 IonicContact NH1-OD2 2.77Å; R43-D85 PolarHBondContact NH1-OD2 2.92Å; R43-L88 HydrophobicContact CG-CD1 3.93Å; R43-L88 HydrophobicContact CG-CD2 4.13Å
44R96.3Very high96.2Very high182 Ų18280.7 Ų80.769%0.68736%0.358SS*.Hα-helixtrans-62-47.4-177.6-171.9173.9-177.6145.41112.1W40 Y41 W42 L46 G47W40-R44 PolarHBondContact O-N 2.86Å; Y41-R44 PolarHBondContact O-N 3.44Å; W42-R44 PolarHBondContact O-N 3.33Å; R44-L46 VanDerWaalsContact C-N 3.29Å; R44-L46 PolarHBondContact O-N 3.42Å; R44-G47 PolarHBondContact O-N 3.04Å
45T97.1Very high96.3Very high68 Ų6881.6 Ų81.642%0.41736%0.361SS..Hα-helixtrans-65.6-31-18052.30000113.1Y41 W42 G47Y41-T45 HydrophobicContact CD1-CG2 4.35Å; Y41-T45 HydrophobicContact CD2-CG2 4.15Å; Y41-T45 HydrophobicContact CE1-CG2 3.92Å; Y41-T45 HydrophobicContact CE2-CG2 3.69Å; Y41-T45 HydrophobicContact CG-CG2 4.46Å; Y41-T45 WeakPolarHBondContact O-CG2 3.43Å; Y41-T45 PolarHBondContact O-N 3.34Å; Y41-T45 PolarHBondContact O-OG1 3.41Å; W42-T45 WeakPolarHBondContact CA-OG1 3.39Å; W42-T45 PolarHBondContact O-OG1 3.1Å; W42-T45 VanDerWaalsContact O-OG1 3.09Å; T45-G47 VanDerWaalsContact C-N 3.34Å
46L97.3Very high96.2Very high25 Ų2588.6 Ų88.613%0.13139%0.394CS..THydrogen-bonded Turntrans-88.1-0.9178.2-63.2178.4000113.8W42 R43 R44 M48 R65 L88 V91 K92W42-L46 HydrophobicContact CE3-CD1 4.16Å; W42-L46 HydrophobicContact CE3-CD2 4.45Å; W42-L46 HydrophobicContact CE3-CG 4.13Å; W42-L46 VanDerWaalsContact O-CB 3.25Å; W42-L46 WeakPolarHBondContact O-CB 3.28Å; W42-L46 WeakPolarHBondContact O-CG 3.3Å; W42-L46 PolarHBondContact O-N 3.46Å; R43-L46 PolarHBondContact O-N 3.21Å; R44-L46 VanDerWaalsContact C-N 3.29Å; R44-L46 PolarHBondContact O-N 3.42Å; L46-M48 VanDerWaalsContact C-N 3.27Å; L46-M48 HydrophobicContact CB-CG 4.17Å; L46-M48 PolarHBondContact O-N 3.39Å; L46-R65 WeakPolarHBondContact O-CD 3.36Å; L46-L88 HydrophobicContact CD1-CB 4.12Å; L46-L88 HydrophobicContact CD1-CD2 4.08Å; L46-L88 WeakPolarHBondContact CD1-O 3.46Å; L46-V91 HydrophobicContact CB-CG1 4.42Å; L46-V91 HydrophobicContact CD1-CG1 4.32Å; L46-K92 HydrophobicContact CD1-CB 4.21Å; L46-K92 HydrophobicContact CD2-CB 4Å; L46-K92 HydrophobicContact CD2-CG 4.2Å
47G96.9Very high96.1Very high42 Ų4289.5 Ų89.543%0.43341%0.409SS..THydrogen-bonded Turntrans7121.4-177.700000113.7R43 R44 T45R43-G47 PolarHBondContact O-N 3.12Å; R43-G47 VanDerWaalsContact O-N 3.12Å; R44-G47 PolarHBondContact O-N 3.04Å; T45-G47 VanDerWaalsContact C-N 3.34Å
48M97.9Very high96Very high8 Ų885.5 Ų85.54%0.03939%0.388CS..  trans-83134.2174.8-61.5-69-66.900109.9R43 L46 S63 F64 R65 L88 V91R43-M48 HydrophobicContact CB-CB 4.12Å; R43-M48 HydrophobicContact CG-CB 4.21Å; R43-M48 PolarHBondContact O-N 3.49Å; L46-M48 VanDerWaalsContact C-N 3.27Å; L46-M48 HydrophobicContact CB-CG 4.17Å; L46-M48 PolarHBondContact O-N 3.39Å; M48-S63 VanDerWaalsContact CE-OG 3.32Å; M48-S63 WeakPolarHBondContact CE-OG 3.47Å; M48-F64 CarbonylContact C-O 3.53Å; M48-F64 WeakPolarHBondContact CA-O 3.42Å; M48-R65 HydrophobicContact SD-CB 3.41Å; M48-R65 WeakPolarHBondContact SD-CB 3.3Å; M48-R65 HydrophobicContact SD-CG 4.48Å; M48-L88 HydrophobicContact CB-CD2 4.39Å; M48-L88 HydrophobicContact CG-CD2 3.78Å; M48-V91 HydrophobicContact CG-CG1 4.26Å; M48-V91 HydrophobicContact SD-CG1 3.87Å
49Q97.4Very high96.1Very high108 Ų10882.2 Ų82.251%0.50538%0.377SS..EExtended strand (participates in β ladder)trans-117.3140.8175.1-64-179.311.200109.6S63 F64Q49-S63 CarbonylContact O-C 3.53Å; Q49-S63 WeakPolarHBondContact O-CA 3.32Å; Q49-F64 HydrophobicContact CB-CD1 4.13Å; Q49-F64 HydrophobicContact CB-CE1 3.53Å; Q49-F64 HydrophobicContact CB-CZ 4.03Å; Q49-F64 PolarHBondContact N-O 2.79Å; Q49-F64 VanDerWaalsContact O-CD1 3.31Å; Q49-F64 WeakPolarHBondContact O-CD1 3.45Å; Q49-F64 PolarHBondContact O-N 3.04Å
50V98.2Very high96.2Very high55 Ų5580.1 Ų80.133%0.33337%0.369SS..EExtended strand (participates in β ladder)trans-89.7134.2173.5-178.80000109Y52 Y62V50-Y52 HydrophobicContact CG1-CE2 4.38Å; V50-Y62 CarbonylContact C-O 3.58Å; V50-Y62 WeakPolarHBondContact CA-O 3.31Å
51R97.9Very high96.4Very high133 Ų13373.9 Ų73.950%0.50235%0.345SS..EExtended strand (participates in β ladder)trans-138164.9174.9-83.4-171.4-172.2-144.21.8110.9Y62 F64R51-Y62 HydrophobicContact CB-CD1 4.46Å; R51-Y62 HydrophobicContact CB-CE1 3.76Å; R51-Y62 HydrophobicContact CB-CE2 4.04Å; R51-Y62 PolarHBondContact N-O 2.86Å; R51-Y62 WeakPolarHBondContact O-CD1 3.38Å; R51-Y62 PolarHBondContact O-N 2.86Å; R51-Y62 VanDerWaalsContact O-O 3.12Å; R51-F64 HydrophobicContact CB-CD1 4.41Å; R51-F64 HydrophobicContact CB-CE1 4.27Å; R51-F64 HydrophobicContact CG-CD1 4.26Å; R51-F64 HydrophobicContact CG-CE1 3.64Å
52Y98.2Very high96.4Very high119 Ų11969 Ų6947%0.46733%0.326SS..EExtended strand (participates in β ladder)trans-122.2144.9175.5-57.5-88.4000109V50 Q59 F60 C61V50-Y52 HydrophobicContact CG1-CE2 4.38Å; Y52-Q59 HydrophobicContact CD1-CG 3.83Å; Y52-Q59 VanDerWaalsContact CD1-NE2 3.26Å; Y52-Q59 HydrophobicContact CG-CG 4.36Å; Y52-F60 VanDerWaalsContact CA-O 3.24Å; Y52-F60 WeakPolarHBondContact CA-O 3.33Å; Y52-C61 HydrophobicContact CD1-CB 3.86Å; Y52-C61 HydrophobicContact CE1-CB 3.65Å; Y52-C61 VanDerWaalsContact CE1-SG 3.6Å
53V97.8Very high96.5Very high25 Ų2566.1 Ų66.115%0.15232%0.315CS..EExtended strand (participates in β ladder)trans-136147.4170.267.90000108.5F60 Y62 F131 C134 L135V53-F60 HydrophobicContact CG1-CB 3.91Å; V53-F60 HydrophobicContact CG1-CD2 4.24Å; V53-F60 HydrophobicContact CG1-CG 4.5Å; V53-F60 PolarHBondContact N-O 3.32Å; V53-F60 PolarHBondContact O-N 2.84Å; V53-Y62 HydrophobicContact CB-CE1 4.16Å; V53-Y62 HydrophobicContact CG1-CD1 4.43Å; V53-Y62 HydrophobicContact CG1-CE1 4.05Å; V53-F131 HydrophobicContact CG1-CD2 3.67Å; V53-F131 HydrophobicContact CG1-CE2 3.72Å; V53-C134 HydrophobicContact CG1-CB 4.3Å; V53-C134 HydrophobicContact CG2-CB 3.66Å; V53-L135 HydrophobicContact CB-CD2 4.06Å; V53-L135 HydrophobicContact CG1-CD2 3.96Å; V53-L135 HydrophobicContact CG1-CG 4.33Å; V53-L135 HydrophobicContact CG2-CD2 4.17Å
54H96.5Very high96.5Very high106 Ų10665.4 Ų65.449%0.49131%0.313SS..EExtended strand (participates in β ladder)trans-116.7140.5-172.9-63.280.9000110.8Y58 Q59H54-Y58 CarbonylContact C-O 3.57Å; H54-Y58 VanDerWaalsContact CA-O 3.32Å; H54-Y58 WeakPolarHBondContact CA-O 3.19Å; H54-Q59 PolarHBondContact NE2-OE1 2.9Å
55H93.3Very high96.5Very high55 Ų5557.6 Ų57.626%0.25528%0.284SS..EExtended strand (participates in β ladder)trans-121.699.7164.2-172.582.1000106.6D57 Y58 F60H55-D57 PolarHBondContact O-N 3.36Å; H55-Y58 PolarHBondContact N-O 3.18Å; H55-Y58 WeakPolarHBondContact O-CB 3.21Å; H55-Y58 PolarHBondContact O-N 3.29Å; H55-F60 HydrophobicContact CB-CE2 4.11Å
56E90.8Very high96.4Very high169 Ų16955.9 Ų55.979%0.7928%0.28SS*.THydrogen-bonded Turntrans53.5-126.1-166.4-54.7178.2162.800110.3Y58E56-Y58 VanDerWaalsContact C-N 3.27Å; E56-Y58 PolarHBondContact O-N 2.9Å
57D89.6Confident96.3Very high160 Ų16065 Ų6586%0.85631%0.313SS*.THydrogen-bonded Turntrans-81.1-3.2178.4-61.8-37.9000113.5H55H55-D57 PolarHBondContact O-N 3.36Å
58Y93.4Very high96Very high11 Ų1167.6 Ų67.64%0.04332%0.321CS..EExtended strand (participates in β ladder)trans-90.2119.3-178.6-161.8-85000111.3H54 H55 E56 F60 P106 T111 T112H54-Y58 CarbonylContact C-O 3.57Å; H54-Y58 VanDerWaalsContact CA-O 3.32Å; H54-Y58 WeakPolarHBondContact CA-O 3.19Å; H55-Y58 PolarHBondContact N-O 3.18Å; H55-Y58 WeakPolarHBondContact O-CB 3.21Å; H55-Y58 PolarHBondContact O-N 3.29Å; E56-Y58 VanDerWaalsContact C-N 3.27Å; E56-Y58 PolarHBondContact O-N 2.9Å; Y58-F60 HydrophobicContact CD1-CD1 4.22Å; Y58-F60 AromaticContact CD1-CD2 3.98Å; Y58-F60 HydrophobicContact CD1-CD2 3.98Å; Y58-F60 AromaticContact CD1-CE1 3.83Å; Y58-F60 HydrophobicContact CD1-CE1 3.83Å; Y58-F60 AromaticContact CD1-CE2 3.57Å; Y58-F60 HydrophobicContact CD1-CE2 3.57Å; Y58-F60 HydrophobicContact CD1-CG 4.3Å; Y58-F60 AromaticContact CD1-CZ 3.48Å; Y58-F60 HydrophobicContact CD1-CZ 3.48Å; Y58-F60 VanDerWaalsContact CD1-CZ 3.48Å; Y58-F60 AromaticContact CE1-CD1 3.77Å; Y58-F60 HydrophobicContact CE1-CD1 3.77Å; Y58-F60 HydrophobicContact CE1-CD2 4.36Å; Y58-F60 AromaticContact CE1-CE1 3.39Å; Y58-F60 HydrophobicContact CE1-CE1 3.39Å; Y58-F60 HydrophobicContact CE1-CE2 4.04Å; Y58-F60 HydrophobicContact CE1-CG 4.24Å; Y58-F60 AromaticContact CE1-CZ 3.54Å; Y58-F60 HydrophobicContact CE1-CZ 3.54Å; Y58-P106 WeakPolarHBondContact OH-CB 3.44Å; Y58-T111 HydrophobicContact CE1-CG2 3.73Å; Y58-T111 WeakPolarHBondContact OH-CG2 3.48Å; Y58-T112 HydrophobicContact CD2-CG2 4.06Å; Y58-T112 HydrophobicContact CE2-CG2 4.17Å; Y58-T112 PolarHBondContact OH-O 2.84Å
59Q96.2Very high95.5Very high56 Ų5669.1 Ų69.126%0.26234%0.339SS..EExtended strand (participates in β ladder)trans-100.8129.4178.6-175.1-174-102.200110.9Y52 H54 G110 T111 T112Y52-Q59 HydrophobicContact CD1-CG 3.83Å; Y52-Q59 VanDerWaalsContact CD1-NE2 3.26Å; Y52-Q59 HydrophobicContact CG-CG 4.36Å; H54-Q59 PolarHBondContact NE2-OE1 2.9Å; Q59-G110 PolarHBondContact NE2-O 3.16Å; Q59-T111 CarbonylContact O-C 3.5Å; Q59-T111 WeakPolarHBondContact O-CA 3.35Å; Q59-T111 WeakPolarHBondContact O-CG2 3.39Å; Q59-T112 WeakPolarHBondContact CB-OG1 3.3Å; Q59-T112 PolarHBondContact N-OG1 3.04Å; Q59-T112 PolarHBondContact O-N 3.07Å; Q59-T112 PolarHBondContact O-OG1 3.47Å
60F98.1Very high94.9Very high0 Ų073 Ų730%036%0.357CS..EExtended strand (participates in β ladder)trans-100.9130.3167.4-60.6-86.8000110.6Y52 V53 H55 Y58 T111 R127 Q130 F131Y52-F60 VanDerWaalsContact CA-O 3.24Å; Y52-F60 WeakPolarHBondContact CA-O 3.33Å; V53-F60 HydrophobicContact CG1-CB 3.91Å; V53-F60 HydrophobicContact CG1-CD2 4.24Å; V53-F60 HydrophobicContact CG1-CG 4.5Å; V53-F60 PolarHBondContact N-O 3.32Å; V53-F60 PolarHBondContact O-N 2.84Å; H55-F60 HydrophobicContact CB-CE2 4.11Å; Y58-F60 HydrophobicContact CD1-CD1 4.22Å; Y58-F60 AromaticContact CD1-CD2 3.98Å; Y58-F60 HydrophobicContact CD1-CD2 3.98Å; Y58-F60 AromaticContact CD1-CE1 3.83Å; Y58-F60 HydrophobicContact CD1-CE1 3.83Å; Y58-F60 AromaticContact CD1-CE2 3.57Å; Y58-F60 HydrophobicContact CD1-CE2 3.57Å; Y58-F60 HydrophobicContact CD1-CG 4.3Å; Y58-F60 AromaticContact CD1-CZ 3.48Å; Y58-F60 HydrophobicContact CD1-CZ 3.48Å; Y58-F60 VanDerWaalsContact CD1-CZ 3.48Å; Y58-F60 AromaticContact CE1-CD1 3.77Å; Y58-F60 HydrophobicContact CE1-CD1 3.77Å; Y58-F60 HydrophobicContact CE1-CD2 4.36Å; Y58-F60 AromaticContact CE1-CE1 3.39Å; Y58-F60 HydrophobicContact CE1-CE1 3.39Å; Y58-F60 HydrophobicContact CE1-CE2 4.04Å; Y58-F60 HydrophobicContact CE1-CG 4.24Å; Y58-F60 AromaticContact CE1-CZ 3.54Å; Y58-F60 HydrophobicContact CE1-CZ 3.54Å; F60-T111 HydrophobicContact CD1-CG2 4.06Å; F60-R127 HydrophobicContact CE1-CB 4.32Å; F60-R127 VanDerWaalsContact CE1-O 3.31Å; F60-R127 WeakPolarHBondContact CE1-O 3.38Å; F60-R127 WeakPolarHBondContact CZ-O 3.18Å; F60-Q130 HydrophobicContact CZ-CB 4.23Å; F60-F131 HydrophobicContact CB-CD2 3.46Å; F60-F131 VanDerWaalsContact CB-CD2 3.46Å; F60-F131 HydrophobicContact CB-CE2 3.87Å; F60-F131 HydrophobicContact CB-CG 4.42Å; F60-F131 HydrophobicContact CD1-CB 3.81Å; F60-F131 HydrophobicContact CD1-CD2 4Å; F60-F131 HydrophobicContact CD1-CG 4.16Å; F60-F131 HydrophobicContact CD2-CB 4.19Å; F60-F131 HydrophobicContact CD2-CD2 4.06Å; F60-F131 HydrophobicContact CE1-CB 3.77Å; F60-F131 HydrophobicContact CE2-CB 4.16Å; F60-F131 HydrophobicContact CG-CB 4.01Å; F60-F131 AromaticContact CG-CD2 3.59Å; F60-F131 HydrophobicContact CG-CD2 3.59Å; F60-F131 HydrophobicContact CG-CE2 4.47Å; F60-F131 HydrophobicContact CG-CG 4.17Å; F60-F131 HydrophobicContact CZ-CB 3.95Å
61C98.5Very high94.5Very high2 Ų276.4 Ų76.41%0.01437%0.367CS..EExtended strand (participates in β ladder)trans-100.1131170.5-1790000110Y52 D104 G110 T111Y52-C61 HydrophobicContact CD1-CB 3.86Å; Y52-C61 HydrophobicContact CE1-CB 3.65Å; Y52-C61 VanDerWaalsContact CE1-SG 3.6Å; C61-D104 HydrophobicContact CB-CB 4.42Å; C61-D104 PolarHBondContact O-N 2.85Å; C61-D104 PolarHBondContact SG-OD2 3.25Å; C61-D104 VanDerWaalsContact SG-OD2 3.4Å; C61-G110 VanDerWaalsContact CB-O 3.3Å; C61-G110 WeakPolarHBondContact CB-O 3.38Å; C61-T111 PolarHBondContact N-OG1 3.14Å
62Y98.6Very high94.4Very high22 Ų2271.9 Ų71.99%0.08636%0.355CS..EExtended strand (participates in β ladder)trans-146.9160.5178.768.4-79.7000111.1V50 R51 V53 F64 V101 C102 F131 L135V50-Y62 CarbonylContact C-O 3.58Å; V50-Y62 WeakPolarHBondContact CA-O 3.31Å; R51-Y62 HydrophobicContact CB-CD1 4.46Å; R51-Y62 HydrophobicContact CB-CE1 3.76Å; R51-Y62 HydrophobicContact CB-CE2 4.04Å; R51-Y62 PolarHBondContact N-O 2.86Å; R51-Y62 WeakPolarHBondContact O-CD1 3.38Å; R51-Y62 PolarHBondContact O-N 2.86Å; R51-Y62 VanDerWaalsContact O-O 3.12Å; V53-Y62 HydrophobicContact CB-CE1 4.16Å; V53-Y62 HydrophobicContact CG1-CD1 4.43Å; V53-Y62 HydrophobicContact CG1-CE1 4.05Å; Y62-F64 HydrophobicContact CD2-CB 4.12Å; Y62-F64 HydrophobicContact CD2-CD1 4.44Å; Y62-F64 HydrophobicContact CE2-CB 4.01Å; Y62-F64 AromaticContact CE2-CD1 3.88Å; Y62-F64 HydrophobicContact CE2-CD1 3.88Å; Y62-F64 HydrophobicContact CE2-CG 4.14Å; Y62-V101 HydrophobicContact CD2-CG1 3.91Å; Y62-V101 HydrophobicContact CG-CG1 4.48Å; Y62-C102 CarbonylContact C-O 3.58Å; Y62-C102 VanDerWaalsContact CA-O 3.26Å; Y62-C102 WeakPolarHBondContact CA-O 3.26Å; Y62-C102 WeakPolarHBondContact CB-O 3.44Å; Y62-F131 AromaticContact CD1-CE2 3.58Å; Y62-F131 HydrophobicContact CD1-CE2 3.58Å; Y62-F131 AromaticContact CD1-CZ 3.92Å; Y62-F131 HydrophobicContact CD1-CZ 3.92Å; Y62-F131 HydrophobicContact CD2-CZ 4.31Å; Y62-F131 HydrophobicContact CE1-CE2 4.16Å; Y62-F131 AromaticContact CG-CE2 3.91Å; Y62-F131 HydrophobicContact CG-CE2 3.91Å; Y62-F131 AromaticContact CG-CZ 3.73Å; Y62-F131 HydrophobicContact CG-CZ 3.73Å; Y62-L135 HydrophobicContact CD2-CD1 4.45Å; Y62-L135 HydrophobicContact CE1-CD1 4.46Å; Y62-L135 HydrophobicContact CE1-CD2 3.95Å; Y62-L135 HydrophobicContact CE2-CD1 4.17Å; Y62-L135 HydrophobicContact CE2-CD2 4.41Å; Y62-L135 WeakPolarHBondContact OH-CD2 3.29Å
63S98.4Very high94.4Very high0 Ų066.8 Ų66.80%034%0.337CS..EExtended strand (participates in β ladder)trans-114.4143.7169.565.10000109M48 Q49 C102M48-S63 VanDerWaalsContact CE-OG 3.32Å; M48-S63 WeakPolarHBondContact CE-OG 3.47Å; Q49-S63 CarbonylContact O-C 3.53Å; Q49-S63 WeakPolarHBondContact O-CA 3.32Å; S63-C102 PolarHBondContact N-O 3.16Å; S63-C102 PolarHBondContact O-N 2.88Å
64F98.3Very high94.4Very high28 Ų2865.7 Ų65.712%0.12333%0.33CS..EExtended strand (participates in β ladder)trans-142.5157.6-178.279-73.4000111.9M48 Q49 R51 Y62 L100 V101M48-F64 CarbonylContact C-O 3.53Å; M48-F64 WeakPolarHBondContact CA-O 3.42Å; Q49-F64 HydrophobicContact CB-CD1 4.13Å; Q49-F64 HydrophobicContact CB-CE1 3.53Å; Q49-F64 HydrophobicContact CB-CZ 4.03Å; Q49-F64 PolarHBondContact N-O 2.79Å; Q49-F64 VanDerWaalsContact O-CD1 3.31Å; Q49-F64 WeakPolarHBondContact O-CD1 3.45Å; Q49-F64 PolarHBondContact O-N 3.04Å; R51-F64 HydrophobicContact CB-CD1 4.41Å; R51-F64 HydrophobicContact CB-CE1 4.27Å; R51-F64 HydrophobicContact CG-CD1 4.26Å; R51-F64 HydrophobicContact CG-CE1 3.64Å; Y62-F64 HydrophobicContact CD2-CB 4.12Å; Y62-F64 HydrophobicContact CD2-CD1 4.44Å; Y62-F64 HydrophobicContact CE2-CB 4.01Å; Y62-F64 AromaticContact CE2-CD1 3.88Å; Y62-F64 HydrophobicContact CE2-CD1 3.88Å; Y62-F64 HydrophobicContact CE2-CG 4.14Å; F64-L100 CarbonylContact C-O 3.59Å; F64-L100 WeakPolarHBondContact CA-O 3.45Å; F64-L100 VanDerWaalsContact CB-O 3.28Å; F64-L100 WeakPolarHBondContact CB-O 3.39Å; F64-V101 HydrophobicContact CB-CG2 4.4Å
65R97.1Very high94.5Very high17 Ų1760.7 Ų60.76%0.06431%0.307CS..EExtended strand (participates in β ladder)trans-140.9141.6172.6176.6-179.884.9178.74.2109.6L46 M48 V91 L94 P95 H99 L100L46-R65 WeakPolarHBondContact O-CD 3.36Å; M48-R65 HydrophobicContact SD-CB 3.41Å; M48-R65 WeakPolarHBondContact SD-CB 3.3Å; M48-R65 HydrophobicContact SD-CG 4.48Å; R65-V91 PolarHBondContact NH1-O 2.82Å; R65-L94 PolarHBondContact NH2-O 2.95Å; R65-P95 PolarHBondContact NH2-O 2.85Å; R65-H99 CarbonylContact O-C 3.55Å; R65-H99 VanDerWaalsContact O-CA 3.32Å; R65-H99 WeakPolarHBondContact O-CA 3.49Å; R65-H99 PolarHBondContact O-CD2 3.35Å; R65-L100 PolarHBondContact N-O 2.67Å; R65-L100 PolarHBondContact O-N 2.81Å
66G94.9Very high94.8Very high32 Ų3258 Ų5833%0.3330%0.295SS..SBendtrans80.9-166.2-179.500000112.6
67R93.3Very high95.2Very high218 Ų21850 Ų5082%0.82326%0.257SS*.  trans-139.2151.1178.2-64.6-177.5-178.4179.60.2109.5G69 H99R67-G69 PolarHBondContact O-N 2.84Å; R67-H99 VanDerWaalsContact C-CG 3.48Å; R67-H99 WeakPolarHBondContact O-CB 3.25Å
68P91.6Very high95.6Very high95 Ų9542.4 Ų42.462%0.61722%0.217SC*.  trans-51.6135.3172.4-23.532000111.1
69G86.4Confident95.8Very high40 Ų4042.1 Ų42.141%0.41222%0.217SC..  trans-143.7-151.3-176.300000112.8R67R67-G69 PolarHBondContact O-N 2.84Å
70H86.1Confident95.8Very high189 Ų18940.4 Ų40.488%0.87521%0.209SC*.SBendtrans-72.1-36173.8-66.3-61.2000112.4
71K89.9Confident95.7Very high127 Ų12740.4 Ų40.455%0.55221%0.209SC*.SBendtrans-74.8137.8172.9-62.2-170.7179.8-169.30109.5L98K71-L98 HydrophobicContact CD-CD2 4.31Å
72P95.1Very high95.5Very high38 Ų3841.1 Ų41.125%0.24722%0.215CC..PPolyproline II helixtrans-54.7147174.6-26.335.2000112.3P141P72-P141 WeakPolarHBondContact CB-O 3.42Å
73S98Very high95.4Very high13 Ų1341.1 Ų41.19%0.09122%0.216CC..PPolyproline II helixtrans-68.9159.7172.5-54.80000110.2H99 F142 H143S73-H99 WeakPolarHBondContact CB-ND1 3.3Å; S73-H99 PolarHBondContact OG-ND1 2.82Å; S73-F142 WeakPolarHBondContact O-CB 3.34Å; S73-H143 PolarHBondContact O-N 2.85Å
74I98.7Very high95.4Very high1 Ų141.9 Ų41.91%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-118.5114.7174.6-54.1166.7000108.6M76 L98 H99 L100 V101 H143 V145 L324I74-M76 HydrophobicContact CG2-CE 3.64Å; I74-M76 HydrophobicContact CG2-CG 4.05Å; I74-L98 HydrophobicContact CD1-CB 4.47Å; I74-L98 HydrophobicContact CD1-CD1 3.92Å; I74-H99 PolarHBondContact N-O 3.48Å; I74-L100 HydrophobicContact CB-CD2 3.88Å; I74-L100 HydrophobicContact CD1-CD2 3.62Å; I74-L100 HydrophobicContact CG1-CD2 4.19Å; I74-V101 PolarHBondContact O-N 3.14Å; I74-H143 CarbonylContact C-O 3.59Å; I74-H143 WeakPolarHBondContact CA-O 3.37Å; I74-H143 HydrophobicContact CG1-CB 4.12Å; I74-H143 HydrophobicContact CG2-CB 4.46Å; I74-V145 HydrophobicContact CG2-CG2 3.79Å; I74-L324 HydrophobicContact CD1-CD1 3.43Å; I74-L324 VanDerWaalsContact CD1-CD1 3.43Å; I74-L324 HydrophobicContact CG1-CD1 3.93Å
75L98.9Very high95.4Very high1 Ų141 Ų411%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-95.9129.2172.8177.158.2000109.6L77 V101 V103 I128 F131 V132 F142 H143 L144 V145L75-L77 HydrophobicContact CD1-CD2 4.18Å; L75-L77 HydrophobicContact CD2-CD2 4.26Å; L75-L77 HydrophobicContact CG-CD2 3.96Å; L75-V101 CarbonylContact C-O 3.58Å; L75-V101 WeakPolarHBondContact CA-O 3.27Å; L75-V101 HydrophobicContact CD1-CB 4.17Å; L75-V101 HydrophobicContact CD1-CG1 3.91Å; L75-V103 HydrophobicContact CD1-CG1 4.31Å; L75-I128 HydrophobicContact CD2-CG2 4.37Å; L75-F131 HydrophobicContact CD1-CE1 3.88Å; L75-V132 HydrophobicContact CD2-CG2 3.69Å; L75-F142 HydrophobicContact CB-CD2 3.95Å; L75-F142 HydrophobicContact CB-CE2 3.98Å; L75-F142 HydrophobicContact CD2-CE2 3.9Å; L75-F142 HydrophobicContact CD2-CZ 4.24Å; L75-H143 PolarHBondContact N-O 3.05Å; L75-L144 HydrophobicContact CB-CD1 4.06Å; L75-L144 HydrophobicContact CD2-CD1 3.96Å; L75-L144 HydrophobicContact CG-CD1 3.9Å; L75-V145 PolarHBondContact O-N 3.01Å
76M98.9Very high95.3Very high0 Ų041.5 Ų41.50%022%0.219CC..EExtended strand (participates in β ladder)trans-121.1121.3-175.2-57.8-171.4163.800111.8I74 W87 L94 L100 V101 V103 V145I74-M76 HydrophobicContact CG2-CE 3.64Å; I74-M76 HydrophobicContact CG2-CG 4.05Å; M76-W87 HydrophobicContact CB-CD2 3.89Å; M76-W87 HydrophobicContact CB-CG 4.06Å; M76-W87 HydrophobicContact CB-CZ2 4.1Å; M76-W87 HydrophobicContact CG-CD2 4.42Å; M76-W87 HydrophobicContact SD-CB 4.19Å; M76-W87 HydrophobicContact SD-CD2 3.83Å; M76-W87 HydrophobicContact SD-CE3 3.84Å; M76-W87 HydrophobicContact SD-CG 3.99Å; M76-W87 HydrophobicContact SD-CZ3 4.5Å; M76-L94 HydrophobicContact CE-CD1 3.73Å; M76-L100 HydrophobicContact CE-CD2 4.42Å; M76-V101 PolarHBondContact N-O 3.12Å; M76-V103 PolarHBondContact O-N 2.89Å; M76-V145 CarbonylContact C-O 3.21Å; M76-V145 VanDerWaalsContact CA-O 3.3Å; M76-V145 WeakPolarHBondContact CA-O 3.46Å; M76-V145 HydrophobicContact CG-CB 4.27Å
77L98.9Very high95.5Very high0 Ų040 Ų400%020%0.204CC..EExtended strand (participates in β ladder)trans-108.8116.3-176.9-51.9-169000110.6L75 W87 V103 M105 I128 L144 V145 G146 T147 V153 A154L75-L77 HydrophobicContact CD1-CD2 4.18Å; L75-L77 HydrophobicContact CD2-CD2 4.26Å; L75-L77 HydrophobicContact CG-CD2 3.96Å; L77-W87 WeakPolarHBondContact O-CZ2 3.3Å; L77-V103 HydrophobicContact CD2-CG1 3.56Å; L77-M105 HydrophobicContact CB-SD 3.74Å; L77-M105 HydrophobicContact CD1-CE 4.43Å; L77-M105 HydrophobicContact CD1-SD 4.26Å; L77-M105 HydrophobicContact CD2-SD 3.82Å; L77-M105 HydrophobicContact CG-SD 4.13Å; L77-I128 HydrophobicContact CD1-CG2 4.41Å; L77-I128 HydrophobicContact CD2-CD1 4.17Å; L77-I128 HydrophobicContact CD2-CG2 4.36Å; L77-L144 HydrophobicContact CD1-CD1 4.02Å; L77-L144 HydrophobicContact CD2-CD1 4.45Å; L77-L144 HydrophobicContact CG-CD1 3.94Å; L77-V145 PolarHBondContact N-O 2.81Å; L77-G146 WeakPolarHBondContact O-CA 3.41Å; L77-T147 PolarHBondContact O-N 2.84Å; L77-T147 VanDerWaalsContact O-N 3.13Å; L77-V153 HydrophobicContact CD1-CB 4.32Å; L77-V153 HydrophobicContact CD1-CG1 3.99Å; L77-A154 HydrophobicContact CD1-CB 4.11Å
78H98.6Very high95.7Very high0 Ų030.1 Ų30.10%017%0.167CC..  trans-78.1165.6-178.669.573.2000113.1A82 H83 M86 V103 M105 H108 G150H78-A82 HydrophobicContact CB-CB 4.18Å; H78-A82 PolarHBondContact CE1-O 2.86Å; H78-H83 VanDerWaalsContact CD2-C 3.4Å; H78-M86 HydrophobicContact CB-CE 3.62Å; H78-V103 PolarHBondContact CD2-O 3.03Å; H78-M105 PolarHBondContact NE2-N 2.94Å; H78-H108 AromaticContact CE1-CD2 3.59Å; H78-H108 AromaticContact CE1-CG 3.55Å; H78-H108 AromaticContact CE1-ND1 4Å; H78-G150 VanDerWaalsContact O-CA 3.28Å; H78-G150 WeakPolarHBondContact O-CA 3.18Å; H78-G150 PolarHBondContact O-N 2.91Å
79G97.3Very high96Very high6 Ų627 Ų276%0.06215%0.147CC..  trans-76.5175.2177.900000114.3A82 T147G79-A82 WeakPolarHBondContact O-CB 3.34Å; G79-A82 PolarHBondContact O-N 2.85Å; G79-T147 VanDerWaalsContact CA-O 3.32Å; G79-T147 WeakPolarHBondContact CA-O 3.25Å; G79-T147 PolarHBondContact N-O 3.26Å
80F96.7Very high96.5Very high19 Ų1925.1 Ų25.18%0.08313%0.128CC..THydrogen-bonded Turntrans-57139.9177.9172.1-99000111.3A82 M149 L202 I203 Y243 L246 F247 I250F80-A82 PolarHBondContact O-N 3.4Å; F80-M149 HydrophobicContact CB-CB 3.98Å; F80-M149 HydrophobicContact CB-SD 3.96Å; F80-M149 HydrophobicContact CD2-SD 4.21Å; F80-L202 HydrophobicContact CD1-CB 3.93Å; F80-L202 HydrophobicContact CD1-CD1 4.22Å; F80-L202 HydrophobicContact CE1-CB 3.89Å; F80-I203 HydrophobicContact CE1-CD1 4.16Å; F80-I203 HydrophobicContact CE1-CG1 3.72Å; F80-I203 HydrophobicContact CZ-CD1 3.78Å; F80-I203 HydrophobicContact CZ-CG1 3.82Å; F80-Y243 WeakPolarHBondContact CE2-O 3.48Å; F80-Y243 WeakPolarHBondContact CZ-O 3.34Å; F80-L246 HydrophobicContact CD2-CD2 4.48Å; F80-L246 HydrophobicContact CD2-CG 4.49Å; F80-L246 HydrophobicContact CE2-CB 4.44Å; F80-L246 HydrophobicContact CE2-CD2 4.46Å; F80-L246 HydrophobicContact CE2-CG 4.3Å; F80-F247 HydrophobicContact CD1-CD2 4.1Å; F80-F247 HydrophobicContact CE1-CB 4.37Å; F80-F247 AromaticContact CE1-CD2 3.69Å; F80-F247 HydrophobicContact CE1-CD2 3.69Å; F80-F247 HydrophobicContact CE1-CG 4.43Å; F80-F247 HydrophobicContact CE2-CB 3.8Å; F80-F247 HydrophobicContact CE2-CD2 4.17Å; F80-F247 HydrophobicContact CZ-CB 3.59Å; F80-F247 AromaticContact CZ-CD2 3.75Å; F80-F247 HydrophobicContact CZ-CD2 3.75Å; F80-F247 HydrophobicContact CZ-CG 4.11Å; F80-I250 HydrophobicContact CD2-CD1 3.64Å; F80-I250 HydrophobicContact CE2-CD1 4.26Å; F80-I250 HydrophobicContact CG-CD1 4.48Å
81S94.9Very high97.1Very high1 Ų116.1 Ų16.11%0.0079%0.086CC..THydrogen-bonded Turntrans604.3-179.3770000115.6H108 L202 R236S81-H108 PolarHBondContact N-NE2 3.43Å; S81-L202 PolarHBondContact OG-O 2.99Å; S81-R236 VanDerWaalsContact CB-NH2 3.29Å; S81-R236 PolarHBondContact O-NH1 3.33Å; S81-R236 PolarHBondContact O-NH2 3.28Å; S81-R236 PolarHBondContact OG-NH2 3.14Å
82A95.6Very high97.5Very high16 Ų1615.2 Ų15.213%0.1328%0.082CC..  trans-89.9-169173.600000110.6H78 G79 F80 M86 H108H78-A82 HydrophobicContact CB-CB 4.18Å; H78-A82 PolarHBondContact CE1-O 2.86Å; G79-A82 WeakPolarHBondContact O-CB 3.34Å; G79-A82 PolarHBondContact O-N 2.85Å; F80-A82 PolarHBondContact O-N 3.4Å; A82-M86 HydrophobicContact CB-SD 4Å; A82-H108 PolarHBondContact O-CD2 2.98Å
83H96.5Very high97.6Very high23 Ų2317.4 Ų17.411%0.1069%0.088CC..  trans-151.6168177.658.6101.9000110.6Y39 H78 D85 M86 E109Y39-H83 AromaticContact CD2-CE1 3.99Å; Y39-H83 AromaticContact CE1-CE1 3.9Å; Y39-H83 AromaticContact CE2-CE1 3.47Å; Y39-H83 VanDerWaalsContact CE2-CE1 3.47Å; Y39-H83 WeakPolarHBondContact CE2-CE1 3.25Å; Y39-H83 AromaticContact CE2-NE2 3.72Å; Y39-H83 AromaticContact CZ-CE1 3.43Å; Y39-H83 VanDerWaalsContact CZ-CE1 3.43Å; Y39-H83 AromaticContact CZ-NE2 3.64Å; Y39-H83 PolarHBondContact OH-NE2 3.29Å; H78-H83 VanDerWaalsContact CD2-C 3.4Å; H83-D85 IonicContact CE1-OD2 2.62Å; H83-D85 WeakPolarHBondContact ND1-CB 3.25Å; H83-D85 PolarHBondContact ND1-N 2.76Å; H83-D85 IonicContact ND1-OD2 3.44Å; H83-D85 PolarHBondContact ND1-OD2 3.29Å; H83-D85 PolarHBondContact O-N 3.25Å; H83-D85 VanDerWaalsContact O-N 3.07Å; H83-M86 VanDerWaalsContact O-CB 3.29Å; H83-M86 WeakPolarHBondContact O-CB 3.22Å; H83-M86 PolarHBondContact O-N 3.24Å; H83-E109 HydrophobicContact CB-CG 3.4Å; H83-E109 VanDerWaalsContact CB-CG 3.4Å
84K97.6Very high97.6Very high16 Ų1617.1 Ų17.17%0.079%0.085CC..G310 helixtrans-54.5-29.8-17669-166.4171-67.90115M86 W87 C102 D104K84-M86 PolarHBondContact O-N 3.45Å; K84-W87 PolarHBondContact O-N 2.95Å; K84-C102 HydrophobicContact CB-CB 3.98Å; K84-C102 WeakPolarHBondContact CB-O 3.38Å; K84-D104 VanDerWaalsContact CB-OD1 3.27Å; K84-D104 WeakPolarHBondContact CB-OD1 3.36Å; K84-D104 WeakPolarHBondContact CD-OD1 3.45Å; K84-D104 WeakPolarHBondContact CG-OD1 3.34Å; K84-D104 PolarHBondContact N-OD1 3.39Å; K84-D104 VanDerWaalsContact NZ-CG 3.28Å; K84-D104 IonicContact NZ-OD1 3.91Å; K84-D104 PolarHBondContact NZ-OD1 3.18Å; K84-D104 IonicContact NZ-OD2 2.77Å; K84-D104 PolarHBondContact NZ-OD2 3.39Å
85D97.5Very high97.5Very high9 Ų919.6 Ų19.65%0.04810%0.101CC..G310 helixtrans-76.3-9.7-177-57.3-62.9000113.4Y39 R43 H83 W87 L88Y39-D85 HydrophobicContact CD1-CB 3.62Å; Y39-D85 HydrophobicContact CE1-CB 4Å; Y39-D85 HydrophobicContact CG-CB 4.11Å; R43-D85 VanDerWaalsContact CD-OD1 3.26Å; R43-D85 WeakPolarHBondContact CD-OD1 3.4Å; R43-D85 WeakPolarHBondContact CG-OD1 3.26Å; R43-D85 IonicContact CZ-OD1 3.86Å; R43-D85 IonicContact NE-OD1 3.99Å; R43-D85 IonicContact NH1-OD1 2.9Å; R43-D85 PolarHBondContact NH1-OD1 2.96Å; R43-D85 IonicContact NH1-OD2 2.77Å; R43-D85 PolarHBondContact NH1-OD2 2.92Å; H83-D85 IonicContact CE1-OD2 2.62Å; H83-D85 WeakPolarHBondContact ND1-CB 3.25Å; H83-D85 PolarHBondContact ND1-N 2.76Å; H83-D85 IonicContact ND1-OD2 3.44Å; H83-D85 PolarHBondContact ND1-OD2 3.29Å; H83-D85 PolarHBondContact O-N 3.25Å; H83-D85 VanDerWaalsContact O-N 3.07Å; D85-W87 PolarHBondContact O-N 2.69Å; D85-L88 HydrophobicContact CB-CD1 3.74Å; D85-L88 HydrophobicContact CB-CG 4.08Å; D85-L88 VanDerWaalsContact O-CB 3.3Å; D85-L88 WeakPolarHBondContact O-CB 3.37Å; D85-L88 VanDerWaalsContact O-CG 3.25Å; D85-L88 WeakPolarHBondContact O-CG 3.42Å; D85-L88 PolarHBondContact O-N 3.29Å
86M96.4Very high97.2Very high28 Ų2828.1 Ų28.114%0.13814%0.138CC..G310 helixtrans-53.6-33.3167.4178.7-17171.800111.1H78 A82 H83 K84 L88 S89 T147 V309 M310H78-M86 HydrophobicContact CB-CE 3.62Å; A82-M86 HydrophobicContact CB-SD 4Å; H83-M86 VanDerWaalsContact O-CB 3.29Å; H83-M86 WeakPolarHBondContact O-CB 3.22Å; H83-M86 PolarHBondContact O-N 3.24Å; K84-M86 PolarHBondContact O-N 3.45Å; M86-L88 PolarHBondContact O-N 3.37Å; M86-S89 PolarHBondContact O-OG 3.16Å; M86-T147 HydrophobicContact CE-CG2 3.38Å; M86-T147 HydrophobicContact SD-CG2 4.44Å; M86-V309 HydrophobicContact CE-CG2 4.03Å; M86-V309 HydrophobicContact CG-CG2 3.91Å; M86-V309 HydrophobicContact SD-CG2 3.86Å; M86-M310 HydrophobicContact CG-CG 4.43Å; M86-M310 HydrophobicContact CG-SD 4.03Å
87W98.3Very high96.9Very high1 Ų133.4 Ų33.40%0.00417%0.167CC..G310 helixtrans-69.9-15.2178.8-66.3111.8000114M76 L77 K84 D85 S89 V90 V91 V145 T147 V309M76-W87 HydrophobicContact CB-CD2 3.89Å; M76-W87 HydrophobicContact CB-CG 4.06Å; M76-W87 HydrophobicContact CB-CZ2 4.1Å; M76-W87 HydrophobicContact CG-CD2 4.42Å; M76-W87 HydrophobicContact SD-CB 4.19Å; M76-W87 HydrophobicContact SD-CD2 3.83Å; M76-W87 HydrophobicContact SD-CE3 3.84Å; M76-W87 HydrophobicContact SD-CG 3.99Å; M76-W87 HydrophobicContact SD-CZ3 4.5Å; L77-W87 WeakPolarHBondContact O-CZ2 3.3Å; K84-W87 PolarHBondContact O-N 2.95Å; D85-W87 PolarHBondContact O-N 2.69Å; W87-S89 PolarHBondContact O-N 2.9Å; W87-S89 VanDerWaalsContact O-N 3.16Å; W87-V90 HydrophobicContact CE3-CB 4.46Å; W87-V90 HydrophobicContact CE3-CG2 4.34Å; W87-V90 PolarHBondContact O-N 2.82Å; W87-V91 HydrophobicContact CB-CG2 4.29Å; W87-V91 WeakPolarHBondContact O-CB 3.44Å; W87-V91 VanDerWaalsContact O-CG2 3.22Å; W87-V91 WeakPolarHBondContact O-CG2 3.26Å; W87-V91 PolarHBondContact O-N 3.05Å; W87-V145 HydrophobicContact CH2-CG1 3.78Å; W87-V145 HydrophobicContact CZ3-CG1 4.16Å; W87-T147 HydrophobicContact CH2-CG2 4.11Å; W87-T147 HydrophobicContact CZ2-CG2 3.93Å; W87-V309 HydrophobicContact CE3-CG1 4.29Å; W87-V309 HydrophobicContact CH2-CG1 3.97Å; W87-V309 HydrophobicContact CZ3-CB 4.42Å; W87-V309 HydrophobicContact CZ3-CG1 3.56Å
88L98.1Very high96.7Very high10 Ų1034.1 Ų34.15%0.05217%0.17CC..Hα-helixtrans-58.6-31.9-179.4-63.5178000112.5Y39 W42 R43 L46 M48 D85 M86 V90 K92Y39-L88 HydrophobicContact CD1-CD1 4.16Å; W42-L88 HydrophobicContact CB-CD1 3.87Å; R43-L88 HydrophobicContact CG-CD1 3.93Å; R43-L88 HydrophobicContact CG-CD2 4.13Å; L46-L88 HydrophobicContact CD1-CB 4.12Å; L46-L88 HydrophobicContact CD1-CD2 4.08Å; L46-L88 WeakPolarHBondContact CD1-O 3.46Å; M48-L88 HydrophobicContact CB-CD2 4.39Å; M48-L88 HydrophobicContact CG-CD2 3.78Å; D85-L88 HydrophobicContact CB-CD1 3.74Å; D85-L88 HydrophobicContact CB-CG 4.08Å; D85-L88 VanDerWaalsContact O-CB 3.3Å; D85-L88 WeakPolarHBondContact O-CB 3.37Å; D85-L88 VanDerWaalsContact O-CG 3.25Å; D85-L88 WeakPolarHBondContact O-CG 3.42Å; D85-L88 PolarHBondContact O-N 3.29Å; M86-L88 PolarHBondContact O-N 3.37Å; L88-V90 VanDerWaalsContact C-N 3.3Å; L88-V90 PolarHBondContact O-N 3.49Å; L88-K92 PolarHBondContact O-N 3.19Å; L88-K92 VanDerWaalsContact O-N 3.16Å
89S96.9Very high96.7Very high29 Ų2935.1 Ų35.120%0.20318%0.175CC..Hα-helixtrans-59.3-40.9175.561.20000111.9M86 W87 F93 V309 P313M86-S89 PolarHBondContact O-OG 3.16Å; W87-S89 PolarHBondContact O-N 2.9Å; W87-S89 VanDerWaalsContact O-N 3.16Å; S89-F93 VanDerWaalsContact O-CD2 3.24Å; S89-F93 WeakPolarHBondContact O-CD2 3.13Å; S89-F93 VanDerWaalsContact O-CE2 3.29Å; S89-F93 WeakPolarHBondContact O-CE2 3.27Å; S89-V309 PolarHBondContact OG-O 3.35Å; S89-P313 VanDerWaalsContact O-CB 3.3Å; S89-P313 WeakPolarHBondContact O-CB 3.22Å
90V98.4Very high96.8Very high0 Ų034.8 Ų34.80%017%0.172CC..Hα-helixtrans-81.7-45.4178.1179.70000110.9W87 L88 K92 F93 L94 V309 P313 T316 A317 I320W87-V90 HydrophobicContact CE3-CB 4.46Å; W87-V90 HydrophobicContact CE3-CG2 4.34Å; W87-V90 PolarHBondContact O-N 2.82Å; L88-V90 VanDerWaalsContact C-N 3.3Å; L88-V90 PolarHBondContact O-N 3.49Å; V90-K92 PolarHBondContact O-N 3.46Å; V90-K92 VanDerWaalsContact O-N 3.11Å; V90-F93 PolarHBondContact O-N 2.99Å; V90-L94 HydrophobicContact CG1-CD1 4.33Å; V90-L94 HydrophobicContact CG1-CG 4.37Å; V90-V309 HydrophobicContact CG2-CB 3.82Å; V90-V309 HydrophobicContact CG2-CG1 4.28Å; V90-P313 HydrophobicContact CG2-CB 4.41Å; V90-T316 HydrophobicContact CG1-CG2 4.49Å; V90-T316 HydrophobicContact CG2-CG2 4.25Å; V90-A317 HydrophobicContact CG1-CB 3.89Å; V90-I320 HydrophobicContact CG1-CD1 4.21Å
91V98.3Very high96.9Very high0 Ų034 Ų340%017%0.169CC..Hα-helixtrans-55.9-31.9-177.9169.80000112.5L46 M48 R65 W87 F93 L94 L100L46-V91 HydrophobicContact CB-CG1 4.42Å; L46-V91 HydrophobicContact CD1-CG1 4.32Å; M48-V91 HydrophobicContact CG-CG1 4.26Å; M48-V91 HydrophobicContact SD-CG1 3.87Å; R65-V91 PolarHBondContact NH1-O 2.82Å; W87-V91 HydrophobicContact CB-CG2 4.29Å; W87-V91 WeakPolarHBondContact O-CB 3.44Å; W87-V91 VanDerWaalsContact O-CG2 3.22Å; W87-V91 WeakPolarHBondContact O-CG2 3.26Å; W87-V91 PolarHBondContact O-N 3.05Å; V91-F93 PolarHBondContact O-N 2.85Å; V91-F93 VanDerWaalsContact O-N 3.16Å; V91-L94 HydrophobicContact CG2-CD1 4.39Å; V91-L94 PolarHBondContact O-N 3.3Å; V91-L94 VanDerWaalsContact O-N 3.12Å; V91-L100 HydrophobicContact CB-CD1 4.49Å; V91-L100 HydrophobicContact CG1-CD1 3.94Å; V91-L100 HydrophobicContact CG2-CD1 4.01Å
92K97.6Very high97Very high109 Ų10934 Ų3447%0.47417%0.168SC..THydrogen-bonded Turntrans-53.1-30.2172.8-178.4177.3178.2179.70113.6W42 L46 L88 V90W42-K92 HydrophobicContact CH2-CD 4.16Å; W42-K92 HydrophobicContact CZ3-CD 3.94Å; L46-K92 HydrophobicContact CD1-CB 4.21Å; L46-K92 HydrophobicContact CD2-CB 4Å; L46-K92 HydrophobicContact CD2-CG 4.2Å; L88-K92 PolarHBondContact O-N 3.19Å; L88-K92 VanDerWaalsContact O-N 3.16Å; V90-K92 PolarHBondContact O-N 3.46Å; V90-K92 VanDerWaalsContact O-N 3.11Å
93F98.3Very high97.2Very high83 Ų8333.2 Ų33.236%0.36416%0.162SC..THydrogen-bonded Turntrans-104.6-0.7-177.3-57.1-73.7000113.4S89 V90 V91 P313 R314 A317S89-F93 VanDerWaalsContact O-CD2 3.24Å; S89-F93 WeakPolarHBondContact O-CD2 3.13Å; S89-F93 VanDerWaalsContact O-CE2 3.29Å; S89-F93 WeakPolarHBondContact O-CE2 3.27Å; V90-F93 PolarHBondContact O-N 2.99Å; V91-F93 PolarHBondContact O-N 2.85Å; V91-F93 VanDerWaalsContact O-N 3.16Å; F93-P313 HydrophobicContact CD2-CB 4.17Å; F93-P313 HydrophobicContact CE2-CB 3.9Å; F93-P313 HydrophobicContact CE2-CG 4.09Å; F93-R314 HydrophobicContact CD1-CB 4.09Å; F93-R314 HydrophobicContact CD1-CG 3.9Å; F93-R314 HydrophobicContact CD2-CB 4.12Å; F93-R314 HydrophobicContact CE1-CB 4.07Å; F93-R314 HydrophobicContact CE1-CG 4.11Å; F93-R314 HydrophobicContact CE2-CB 4.11Å; F93-R314 HydrophobicContact CG-CB 4.11Å; F93-R314 HydrophobicContact CG-CG 4.21Å; F93-R314 HydrophobicContact CZ-CB 4.07Å; F93-A317 HydrophobicContact CB-CB 3.49Å; F93-A317 VanDerWaalsContact CB-CB 3.49Å
94L97.6Very high97.3Very high7 Ų732.1 Ų32.14%0.03716%0.157CC..SBendtrans-88142.4178.2-63.7178.1000111.6R65 M76 V90 V91 K96 L98 L100 A317 I321R65-L94 PolarHBondContact NH2-O 2.95Å; M76-L94 HydrophobicContact CE-CD1 3.73Å; V90-L94 HydrophobicContact CG1-CD1 4.33Å; V90-L94 HydrophobicContact CG1-CG 4.37Å; V91-L94 HydrophobicContact CG2-CD1 4.39Å; V91-L94 PolarHBondContact O-N 3.3Å; V91-L94 VanDerWaalsContact O-N 3.12Å; L94-K96 PolarHBondContact O-N 3.48Å; L94-L98 HydrophobicContact CB-CD1 4.4Å; L94-L100 HydrophobicContact CB-CD1 4.43Å; L94-L100 HydrophobicContact CD1-CD1 3.9Å; L94-L100 HydrophobicContact CD1-CD2 4.17Å; L94-A317 HydrophobicContact CD2-CB 3.84Å; L94-A317 HydrophobicContact CG-CB 4.37Å; L94-I321 HydrophobicContact CD2-CD1 3.87Å; L94-I321 HydrophobicContact CD2-CG1 3.8Å
95P95.6Very high97.3Very high53 Ų5331.3 Ų31.334%0.34415%0.154SC..  trans-51.2136174.9-2632.7000113.3R65 N97 L98 I321R65-P95 PolarHBondContact NH2-O 2.85Å; P95-N97 VanDerWaalsContact CB-OD1 3.27Å; P95-N97 WeakPolarHBondContact CB-OD1 3.42Å; P95-N97 PolarHBondContact O-N 3.29Å; P95-L98 HydrophobicContact CB-CD1 4.19Å; P95-L98 HydrophobicContact CB-CG 4.2Å; P95-L98 HydrophobicContact CG-CD1 4.18Å; P95-L98 PolarHBondContact O-N 2.93Å; P95-I321 HydrophobicContact CG-CD1 4.08Å; P95-I321 HydrophobicContact CG-CG1 4.44Å
96K94Very high97.2Very high180 Ų18031.1 Ų31.178%0.78315%0.153SC*.THydrogen-bonded Turntrans-67.4-19.2-175.2-66.9-173179.4-178.30114.1L94 L98L94-K96 PolarHBondContact O-N 3.48Å; K96-L98 VanDerWaalsContact C-N 3.32Å
97N92.1Very high96.9Very high112 Ų11229.8 Ų29.860%0.59915%0.146SC*.THydrogen-bonded Turntrans-86.33.5-179.265.1-27.2000114.2P95P95-N97 VanDerWaalsContact CB-OD1 3.27Å; P95-N97 WeakPolarHBondContact CB-OD1 3.42Å; P95-N97 PolarHBondContact O-N 3.29Å
98L95.4Very high96.8Very high14 Ų1429.8 Ų29.87%0.07315%0.146CC..SBendtrans-82.5144.2174.9-62.2173.8000111.2K71 I74 L94 P95 K96 L100 I321K71-L98 HydrophobicContact CD-CD2 4.31Å; I74-L98 HydrophobicContact CD1-CB 4.47Å; I74-L98 HydrophobicContact CD1-CD1 3.92Å; L94-L98 HydrophobicContact CB-CD1 4.4Å; P95-L98 HydrophobicContact CB-CD1 4.19Å; P95-L98 HydrophobicContact CB-CG 4.2Å; P95-L98 HydrophobicContact CG-CD1 4.18Å; P95-L98 PolarHBondContact O-N 2.93Å; K96-L98 VanDerWaalsContact C-N 3.32Å; L98-L100 HydrophobicContact CB-CD2 3.83Å; L98-L100 HydrophobicContact CB-CG 4.2Å; L98-L100 HydrophobicContact CD1-CD2 4.45Å; L98-I321 HydrophobicContact CD1-CD1 3.55Å
99H97.8Very high96.6Very high21 Ų2131.8 Ų31.810%0.09716%0.155CC..  trans-86.2110.6165.9-172.9-135.7000109.4R65 R67 S73 I74R65-H99 CarbonylContact O-C 3.55Å; R65-H99 VanDerWaalsContact O-CA 3.32Å; R65-H99 WeakPolarHBondContact O-CA 3.49Å; R65-H99 PolarHBondContact O-CD2 3.35Å; R67-H99 VanDerWaalsContact C-CG 3.48Å; R67-H99 WeakPolarHBondContact O-CB 3.25Å; S73-H99 WeakPolarHBondContact CB-ND1 3.3Å; S73-H99 PolarHBondContact OG-ND1 2.82Å; I74-H99 PolarHBondContact N-O 3.48Å
100L98.4Very high96.3Very high0 Ų031.6 Ų31.60%016%0.158CC..EExtended strand (participates in β ladder)trans-112.5137.4-177.7-54.3-178.1000109.5F64 R65 I74 M76 V91 L94 L98F64-L100 CarbonylContact C-O 3.59Å; F64-L100 WeakPolarHBondContact CA-O 3.45Å; F64-L100 VanDerWaalsContact CB-O 3.28Å; F64-L100 WeakPolarHBondContact CB-O 3.39Å; R65-L100 PolarHBondContact N-O 2.67Å; R65-L100 PolarHBondContact O-N 2.81Å; I74-L100 HydrophobicContact CB-CD2 3.88Å; I74-L100 HydrophobicContact CD1-CD2 3.62Å; I74-L100 HydrophobicContact CG1-CD2 4.19Å; M76-L100 HydrophobicContact CE-CD2 4.42Å; V91-L100 HydrophobicContact CB-CD1 4.49Å; V91-L100 HydrophobicContact CG1-CD1 3.94Å; V91-L100 HydrophobicContact CG2-CD1 4.01Å; L94-L100 HydrophobicContact CB-CD1 4.43Å; L94-L100 HydrophobicContact CD1-CD1 3.9Å; L94-L100 HydrophobicContact CD1-CD2 4.17Å; L98-L100 HydrophobicContact CB-CD2 3.83Å; L98-L100 HydrophobicContact CB-CG 4.2Å; L98-L100 HydrophobicContact CD1-CD2 4.45Å
101V98.8Very high96.2Very high2 Ų231.8 Ų31.81%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-132.1119.3174-177.80000108.3Y62 F64 I74 L75 M76 F131 L135 L137Y62-V101 HydrophobicContact CD2-CG1 3.91Å; Y62-V101 HydrophobicContact CG-CG1 4.48Å; F64-V101 HydrophobicContact CB-CG2 4.4Å; I74-V101 PolarHBondContact O-N 3.14Å; L75-V101 CarbonylContact C-O 3.58Å; L75-V101 WeakPolarHBondContact CA-O 3.27Å; L75-V101 HydrophobicContact CD1-CB 4.17Å; L75-V101 HydrophobicContact CD1-CG1 3.91Å; M76-V101 PolarHBondContact N-O 3.12Å; V101-F131 HydrophobicContact CG1-CE1 3.96Å; V101-F131 HydrophobicContact CG1-CZ 3.84Å; V101-L135 HydrophobicContact CG1-CD1 4.03Å; V101-L137 HydrophobicContact CG1-CD1 4.43Å; V101-L137 HydrophobicContact CG2-CD1 4.28Å; V101-L137 HydrophobicContact CG2-CD2 4.36Å
102C98.7Very high95.9Very high0 Ų033.9 Ų33.90%017%0.172CC..EExtended strand (participates in β ladder)trans-117.5112.3176.9-55.70000108.1Y62 S63 K84Y62-C102 CarbonylContact C-O 3.58Å; Y62-C102 VanDerWaalsContact CA-O 3.26Å; Y62-C102 WeakPolarHBondContact CA-O 3.26Å; Y62-C102 WeakPolarHBondContact CB-O 3.44Å; S63-C102 PolarHBondContact N-O 3.16Å; S63-C102 PolarHBondContact O-N 2.88Å; K84-C102 HydrophobicContact CB-CB 3.98Å; K84-C102 WeakPolarHBondContact CB-O 3.38Å
103V98.6Very high95.6Very high0 Ų032.2 Ų32.20%016%0.163CC..EExtended strand (participates in β ladder)trans-97141.3-175.264.70000110.6L75 M76 L77 H78 M105 I128 F131L75-V103 HydrophobicContact CD1-CG1 4.31Å; M76-V103 PolarHBondContact O-N 2.89Å; L77-V103 HydrophobicContact CD2-CG1 3.56Å; H78-V103 PolarHBondContact CD2-O 3.03Å; V103-M105 HydrophobicContact CG1-SD 4.25Å; V103-M105 PolarHBondContact O-N 3.22Å; V103-I128 HydrophobicContact CG1-CD1 4.02Å; V103-F131 HydrophobicContact CB-CD1 4.32Å; V103-F131 HydrophobicContact CB-CE1 3.73Å; V103-F131 HydrophobicContact CB-CZ 3.93Å; V103-F131 HydrophobicContact CG1-CE1 4.34Å; V103-F131 HydrophobicContact CG2-CD1 4.05Å; V103-F131 HydrophobicContact CG2-CD2 4.32Å; V103-F131 HydrophobicContact CG2-CE1 3.78Å; V103-F131 HydrophobicContact CG2-CE2 4.07Å; V103-F131 HydrophobicContact CG2-CG 4.29Å; V103-F131 HydrophobicContact CG2-CZ 3.77Å
104D98.5Very high94.7Very high0 Ų030.2 Ų30.20%016%0.159CC..  trans-73.2113.1159.6-70.4-26.4000107C61 K84 E109 G110 T111C61-D104 HydrophobicContact CB-CB 4.42Å; C61-D104 PolarHBondContact O-N 2.85Å; C61-D104 PolarHBondContact SG-OD2 3.25Å; C61-D104 VanDerWaalsContact SG-OD2 3.4Å; K84-D104 VanDerWaalsContact CB-OD1 3.27Å; K84-D104 WeakPolarHBondContact CB-OD1 3.36Å; K84-D104 WeakPolarHBondContact CD-OD1 3.45Å; K84-D104 WeakPolarHBondContact CG-OD1 3.34Å; K84-D104 PolarHBondContact N-OD1 3.39Å; K84-D104 VanDerWaalsContact NZ-CG 3.28Å; K84-D104 IonicContact NZ-OD1 3.91Å; K84-D104 PolarHBondContact NZ-OD1 3.18Å; K84-D104 IonicContact NZ-OD2 2.77Å; K84-D104 PolarHBondContact NZ-OD2 3.39Å; D104-E109 HydrophobicContact CB-CB 4.27Å; D104-E109 WeakPolarHBondContact OD2-CB 3.36Å; D104-G110 PolarHBondContact OD2-N 3.18Å; D104-T111 WeakPolarHBondContact O-CB 3.45Å; D104-T111 PolarHBondContact O-OG1 3.43Å
105M97.3Very high93.3Very high0 Ų035.7 Ų35.70%020%0.198CC..  trans-55.8149.8-175.9-68.6-69.3-68.100111.3L77 H78 V103 G107 H108 I128 M149 V153L77-M105 HydrophobicContact CB-SD 3.74Å; L77-M105 HydrophobicContact CD1-CE 4.43Å; L77-M105 HydrophobicContact CD1-SD 4.26Å; L77-M105 HydrophobicContact CD2-SD 3.82Å; L77-M105 HydrophobicContact CG-SD 4.13Å; H78-M105 PolarHBondContact NE2-N 2.94Å; V103-M105 HydrophobicContact CG1-SD 4.25Å; V103-M105 PolarHBondContact O-N 3.22Å; M105-G107 PolarHBondContact O-N 3.01Å; M105-H108 VanDerWaalsContact O-CB 3.3Å; M105-H108 WeakPolarHBondContact O-CB 3.15Å; M105-H108 PolarHBondContact O-N 3.09Å; M105-H108 PolarHBondContact O-ND1 2.93Å; M105-I128 HydrophobicContact CE-CD1 4.21Å; M105-I128 HydrophobicContact CE-CG1 4.09Å; M105-I128 HydrophobicContact SD-CD1 3.77Å; M105-I128 HydrophobicContact SD-CG1 4.26Å; M105-M149 HydrophobicContact CB-CE 4.16Å; M105-M149 HydrophobicContact CE-CE 4.25Å; M105-M149 HydrophobicContact CG-CE 4.17Å; M105-V153 HydrophobicContact CE-CB 3.98Å; M105-V153 HydrophobicContact CE-CG1 3.93Å; M105-V153 HydrophobicContact CE-CG2 3.86Å
106P95.2Very high92.2Very high5 Ų540.6 Ų40.63%0.03222%0.221CC..THydrogen-bonded Turntrans-45.7126.1173.7-25.130000111.8Y58 H108 Q124 R127 I128Y58-P106 WeakPolarHBondContact OH-CB 3.44Å; P106-H108 PolarHBondContact O-ND1 3Å; P106-Q124 VanDerWaalsContact CB-OE1 3.23Å; P106-Q124 VanDerWaalsContact CD-OE1 3.23Å; P106-Q124 VanDerWaalsContact CG-OE1 3.29Å; P106-Q124 PolarHBondContact O-NE2 3.32Å; P106-Q124 PolarHBondContact O-OE1 3.24Å; P106-R127 HydrophobicContact CB-CB 4.05Å; P106-R127 HydrophobicContact CB-CG 4.24Å; P106-R127 HydrophobicContact CG-CB 3.4Å; P106-R127 HydrophobicContact CG-CG 4.13Å; P106-I128 HydrophobicContact CG-CD1 4.32Å
107G92.1Very high91.7Very high0 Ų033 Ų330%019%0.189CC..THydrogen-bonded Turntrans92-3.9-173.400000116.3M105 R113 F242M105-G107 PolarHBondContact O-N 3.01Å; G107-R113 PolarHBondContact O-NE 2.96Å; G107-R113 PolarHBondContact O-NH2 3.26Å; G107-F242 WeakPolarHBondContact O-CD1 3.27Å
108H95.3Very high91.7Very high0 Ų030.8 Ų30.80%018%0.177CC..SBendtrans-114.6142-177-61.676000113H78 S81 A82 M105 P106 G110 T111 Y243 L246H78-H108 AromaticContact CE1-CD2 3.59Å; H78-H108 AromaticContact CE1-CG 3.55Å; H78-H108 AromaticContact CE1-ND1 4Å; S81-H108 PolarHBondContact N-NE2 3.43Å; A82-H108 PolarHBondContact O-CD2 2.98Å; M105-H108 VanDerWaalsContact O-CB 3.3Å; M105-H108 WeakPolarHBondContact O-CB 3.15Å; M105-H108 PolarHBondContact O-N 3.09Å; M105-H108 PolarHBondContact O-ND1 2.93Å; P106-H108 PolarHBondContact O-ND1 3Å; H108-G110 PolarHBondContact O-N 3.48Å; H108-T111 PolarHBondContact O-N 3.11Å; H108-T111 VanDerWaalsContact O-N 3.08Å; H108-Y243 HydrophobicContact CB-CE1 4.31Å; H108-Y243 AromaticContact CD2-CE1 3.28Å; H108-Y243 WeakPolarHBondContact CD2-CE1 3.2Å; H108-Y243 AromaticContact CD2-CZ 3.59Å; H108-Y243 AromaticContact CG-CE1 3.78Å; H108-Y243 AromaticContact NE2-CE1 3.77Å; H108-L246 WeakPolarHBondContact CE1-CD2 3.46Å
109E93.8Very high91.5Very high52 Ų5231.5 Ų31.524%0.24318%0.18CC..THydrogen-bonded Turntrans43.8-114.5169.8-58.6-53.8130.200115.2H83 D104 T111 H239 Y243H83-E109 HydrophobicContact CB-CG 3.4Å; H83-E109 VanDerWaalsContact CB-CG 3.4Å; D104-E109 HydrophobicContact CB-CB 4.27Å; D104-E109 WeakPolarHBondContact OD2-CB 3.36Å; E109-T111 VanDerWaalsContact C-N 3.35Å; E109-H239 IonicContact OE1-CD2 3.56Å; E109-H239 IonicContact OE1-CG 3.84Å; E109-H239 IonicContact OE1-NE2 3.86Å; E109-H239 IonicContact OE2-CE1 3.27Å; E109-H239 IonicContact OE2-NE2 3.61Å; E109-Y243 PolarHBondContact OE1-OH 3.27Å
110G91.5Very high91.4Very high26 Ų2630.5 Ų30.527%0.26818%0.176SC..THydrogen-bonded Turntrans-86.2-1.2-17300000114.9Q59 C61 D104 H108Q59-G110 PolarHBondContact NE2-O 3.16Å; C61-G110 VanDerWaalsContact CB-O 3.3Å; C61-G110 WeakPolarHBondContact CB-O 3.38Å; D104-G110 PolarHBondContact OD2-N 3.18Å; H108-G110 PolarHBondContact O-N 3.48Å
111T95.7Very high91.3Very high4 Ų430.5 Ų30.53%0.02518%0.176CC..SBendtrans-86.9137.8174.5-68.20000109.4Y58 Q59 F60 C61 D104 H108 E109Y58-T111 HydrophobicContact CE1-CG2 3.73Å; Y58-T111 WeakPolarHBondContact OH-CG2 3.48Å; Q59-T111 CarbonylContact O-C 3.5Å; Q59-T111 WeakPolarHBondContact O-CA 3.35Å; Q59-T111 WeakPolarHBondContact O-CG2 3.39Å; F60-T111 HydrophobicContact CD1-CG2 4.06Å; C61-T111 PolarHBondContact N-OG1 3.14Å; D104-T111 WeakPolarHBondContact O-CB 3.45Å; D104-T111 PolarHBondContact O-OG1 3.43Å; H108-T111 PolarHBondContact O-N 3.11Å; H108-T111 VanDerWaalsContact O-N 3.08Å; E109-T111 VanDerWaalsContact C-N 3.35Å
112T92.1Very high91.2Very high44 Ų4432.1 Ų32.127%0.2719%0.185SC..  trans-51.5140.8-175.2-66.70000111.9Y58 Q59Y58-T112 HydrophobicContact CD2-CG2 4.06Å; Y58-T112 HydrophobicContact CE2-CG2 4.17Å; Y58-T112 PolarHBondContact OH-O 2.84Å; Q59-T112 WeakPolarHBondContact CB-OG1 3.3Å; Q59-T112 PolarHBondContact N-OG1 3.04Å; Q59-T112 PolarHBondContact O-N 3.07Å; Q59-T112 PolarHBondContact O-OG1 3.47Å
113R90.1Very high91.1Very high74 Ų7432.3 Ų32.328%0.27919%0.186SC..  trans-112.5117.2170.1-71.2172.9173.2167.52.4108.4G107 H239 F242 Y243G107-R113 PolarHBondContact O-NE 2.96Å; G107-R113 PolarHBondContact O-NH2 3.26Å; R113-H239 VanDerWaalsContact CZ-ND1 3.34Å; R113-H239 PolarHBondContact NH1-ND1 3.19Å; R113-H239 VanDerWaalsContact NH2-CB 3.34Å; R113-H239 PolarHBondContact NH2-ND1 3.02Å; R113-F242 HydrophobicContact CB-CD2 4.03Å; R113-F242 HydrophobicContact CB-CE2 3.7Å; R113-F242 HydrophobicContact CB-CZ 4.13Å; R113-F242 HydrophobicContact CG-CD1 4.25Å; R113-F242 HydrophobicContact CG-CD2 3.95Å; R113-F242 HydrophobicContact CG-CE1 4.17Å; R113-F242 HydrophobicContact CG-CE2 3.83Å; R113-F242 HydrophobicContact CG-CG 4.15Å; R113-F242 HydrophobicContact CG-CZ 3.93Å; R113-Y243 VanDerWaalsContact NH2-CE1 3.29Å
114S79.4Confident91.1Very high40 Ų4032.4 Ų32.428%0.2819%0.187SC..  trans-112.8144.6170.5-178.20000110.5L116 D117S114-L116 PolarHBondContact O-N 3.07Å; S114-L116 PolarHBondContact OG-N 3.41Å; S114-D117 WeakPolarHBondContact CB-OD2 3.41Å; S114-D117 PolarHBondContact N-OD2 3.06Å; S114-D117 WeakPolarHBondContact O-CB 3.48Å; S114-D117 PolarHBondContact O-N 2.87Å
115S68.6Low91.1Very high122 Ų12232.4 Ų32.485%0.85319%0.187SC*.THydrogen-bonded Turntrans-69.2-15.1170.654.40000113
116L72.9Confident91.1Very high157 Ų15738.1 Ų38.182%0.82221%0.211SC*.THydrogen-bonded Turntrans-93.7-0.2177.5-59.4175.6000112.7S114 D118S114-L116 PolarHBondContact O-N 3.07Å; S114-L116 PolarHBondContact OG-N 3.41Å; L116-D118 PolarHBondContact O-N 3.5Å
117D82.6Confident91.2Very high20 Ų2040.7 Ų40.711%0.10722%0.221CC..  trans-67.1132.1-178.9-75.6-31.5000110.9S114 L119 R127S114-D117 WeakPolarHBondContact CB-OD2 3.41Å; S114-D117 PolarHBondContact N-OD2 3.06Å; S114-D117 WeakPolarHBondContact O-CB 3.48Å; S114-D117 PolarHBondContact O-N 2.87Å; D117-L119 HydrophobicContact CB-CD2 3.75Å; D117-L119 HydrophobicContact CB-CG 4.49Å; D117-L119 PolarHBondContact O-N 3.44Å; D117-R127 IonicContact OD1-CZ 3.63Å; D117-R127 IonicContact OD1-NE 3.63Å; D117-R127 IonicContact OD1-NH2 2.82Å; D117-R127 PolarHBondContact OD1-NH2 2.93Å
118D92Very high91.5Very high66 Ų6640.7 Ų40.735%0.35322%0.221SC..  trans-69.4100.5162-175.9-0.7000107.7L116 S120 G123 K254L116-D118 PolarHBondContact O-N 3.5Å; D118-S120 VanDerWaalsContact CG-OG 3.23Å; D118-S120 PolarHBondContact O-N 3.35Å; D118-S120 WeakPolarHBondContact OD1-CB 3.27Å; D118-S120 PolarHBondContact OD1-N 2.81Å; D118-S120 VanDerWaalsContact OD1-N 3.14Å; D118-S120 PolarHBondContact OD1-OG 3.26Å; D118-S120 PolarHBondContact OD2-OG 2.93Å; D118-G123 WeakPolarHBondContact O-CA 3.45Å; D118-K254 IonicContact OD1-NZ 2.63Å; D118-K254 PolarHBondContact OD1-NZ 3.31Å; D118-K254 VanDerWaalsContact OD1-NZ 3.07Å; D118-K254 IonicContact OD2-NZ 3.5Å; D118-K254 PolarHBondContact OD2-NZ 2.79Å
119L92.4Very high91.6Very high28 Ų2842 Ų4215%0.14723%0.227CC..  trans-80-4.5-177.7-60.4-176.6000113.1D117 F242 K245 L246 E249D117-L119 HydrophobicContact CB-CD2 3.75Å; D117-L119 HydrophobicContact CB-CG 4.49Å; D117-L119 PolarHBondContact O-N 3.44Å; L119-F242 HydrophobicContact CD1-CE1 4.5Å; L119-F242 HydrophobicContact CD1-CZ 4.19Å; L119-F242 HydrophobicContact CD2-CE1 4.15Å; L119-F242 HydrophobicContact CD2-CZ 3.73Å; L119-K245 HydrophobicContact CD1-CB 4.45Å; L119-L246 HydrophobicContact CB-CD1 3.96Å; L119-L246 HydrophobicContact CD2-CD1 4.46Å; L119-E249 HydrophobicContact CB-CB 4Å; L119-E249 HydrophobicContact CB-CG 3.76Å; L119-E249 WeakPolarHBondContact O-CG 3.39Å
120S95.4Very high91.8Very high0 Ų041.6 Ų41.60%023%0.225CC..SBendtrans-62.2164.5177.670.90000111.5D118 D122 G123 Q124 E249 K254 S255D118-S120 VanDerWaalsContact CG-OG 3.23Å; D118-S120 PolarHBondContact O-N 3.35Å; D118-S120 WeakPolarHBondContact OD1-CB 3.27Å; D118-S120 PolarHBondContact OD1-N 2.81Å; D118-S120 VanDerWaalsContact OD1-N 3.14Å; D118-S120 PolarHBondContact OD1-OG 3.26Å; D118-S120 PolarHBondContact OD2-OG 2.93Å; S120-D122 PolarHBondContact O-N 3.5Å; S120-G123 CarbonylContact O-C 3.58Å; S120-G123 WeakPolarHBondContact O-CA 3.35Å; S120-G123 PolarHBondContact O-N 3.16Å; S120-G123 PolarHBondContact OG-N 3.35Å; S120-Q124 VanDerWaalsContact O-CG 3.32Å; S120-Q124 WeakPolarHBondContact O-CG 3.44Å; S120-Q124 PolarHBondContact O-N 2.82Å; S120-E249 VanDerWaalsContact CB-OE1 3.27Å; S120-E249 WeakPolarHBondContact CB-OE1 3.11Å; S120-E249 VanDerWaalsContact N-CG 3.34Å; S120-K254 VanDerWaalsContact CB-CE 3.48Å; S120-K254 WeakPolarHBondContact OG-CE 3.32Å; S120-K254 PolarHBondContact OG-NZ 3.49Å; S120-S255 WeakPolarHBondContact CA-OG 3.47Å; S120-S255 WeakPolarHBondContact CB-OG 3.26Å
121I96.9Very high92.2Very high0 Ų040.4 Ų40.40%021%0.212CC..Hα-helixtrans-61.4-36.1178-64.5-72.4000111.7G123 Q124 V125 M149 Q152 V153 V156 I250 S255 S258I121-G123 VanDerWaalsContact C-N 3.34Å; I121-Q124 WeakPolarHBondContact O-CB 3.22Å; I121-Q124 PolarHBondContact O-N 2.95Å; I121-V125 HydrophobicContact CG2-CG2 4.42Å; I121-V125 VanDerWaalsContact O-CG2 3.27Å; I121-V125 WeakPolarHBondContact O-CG2 3.47Å; I121-V125 PolarHBondContact O-N 2.77Å; I121-M149 HydrophobicContact CD1-CG 4.4Å; I121-Q152 HydrophobicContact CD1-CG 4.01Å; I121-Q152 HydrophobicContact CG1-CG 4.29Å; I121-Q152 HydrophobicContact CG2-CG 4.16Å; I121-V153 HydrophobicContact CD1-CG2 3.97Å; I121-V153 HydrophobicContact CG2-CG2 4.29Å; I121-V156 HydrophobicContact CG2-CB 4.44Å; I121-V156 HydrophobicContact CG2-CG2 4.09Å; I121-I250 HydrophobicContact CD1-CG1 4.5Å; I121-S255 PolarHBondContact N-OG 2.9Å; I121-S258 WeakPolarHBondContact CB-OG 3.28Å; I121-S258 WeakPolarHBondContact CG2-OG 3.43Å
122D96.9Very high92.3Very high37 Ų3740.2 Ų40.220%0.19821%0.211CC..Hα-helixtrans-64.6-39.6173.6-66.9-55.1000112S120 V125 K126 Y160S120-D122 PolarHBondContact O-N 3.5Å; D122-V125 PolarHBondContact O-N 3.29Å; D122-K126 VanDerWaalsContact O-CG 3.32Å; D122-K126 WeakPolarHBondContact O-CG 3.33Å; D122-K126 PolarHBondContact O-N 3.5Å; D122-Y160 WeakPolarHBondContact OD1-CE2 3.38Å; D122-Y160 PolarHBondContact OD1-OH 2.99Å
123G96.5Very high92.6Very high3 Ų342.4 Ų42.43%0.03122%0.218CC..Hα-helixtrans-62.1-44.4173.200000112.2D118 S120 I121 V125 K126 R127D118-G123 WeakPolarHBondContact O-CA 3.45Å; S120-G123 CarbonylContact O-C 3.58Å; S120-G123 WeakPolarHBondContact O-CA 3.35Å; S120-G123 PolarHBondContact O-N 3.16Å; S120-G123 PolarHBondContact OG-N 3.35Å; I121-G123 VanDerWaalsContact C-N 3.34Å; G123-V125 PolarHBondContact O-N 2.81Å; G123-K126 PolarHBondContact O-N 3.07Å; G123-R127 WeakPolarHBondContact O-CG 3.49Å; G123-R127 PolarHBondContact O-N 3.34Å
124Q97.3Very high93Very high2 Ų240.6 Ų40.61%0.00922%0.217CC..Hα-helixtrans-58.6-46.3173.2-67-75.2-14.400111.5P106 S120 I121 K126 R127 I128 V153P106-Q124 VanDerWaalsContact CB-OE1 3.23Å; P106-Q124 VanDerWaalsContact CD-OE1 3.23Å; P106-Q124 VanDerWaalsContact CG-OE1 3.29Å; P106-Q124 PolarHBondContact O-NE2 3.32Å; P106-Q124 PolarHBondContact O-OE1 3.24Å; S120-Q124 VanDerWaalsContact O-CG 3.32Å; S120-Q124 WeakPolarHBondContact O-CG 3.44Å; S120-Q124 PolarHBondContact O-N 2.82Å; I121-Q124 WeakPolarHBondContact O-CB 3.22Å; I121-Q124 PolarHBondContact O-N 2.95Å; Q124-K126 PolarHBondContact O-N 3.46Å; Q124-R127 PolarHBondContact O-N 2.81Å; Q124-I128 WeakPolarHBondContact O-CG1 3.29Å; Q124-I128 PolarHBondContact O-N 2.89Å; Q124-V153 HydrophobicContact CB-CG1 4.4Å; Q124-V153 HydrophobicContact CB-CG2 3.73Å; Q124-V153 HydrophobicContact CG-CG2 4.46Å
125V98.6Very high93.8Very high0 Ų040.7 Ų40.70%021%0.214CC..Hα-helixtrans-59.7-46176.5168.30000111.2I121 D122 G123 R127 I128 H129 V153 V156 Y157 Y160 Y161I121-V125 HydrophobicContact CG2-CG2 4.42Å; I121-V125 VanDerWaalsContact O-CG2 3.27Å; I121-V125 WeakPolarHBondContact O-CG2 3.47Å; I121-V125 PolarHBondContact O-N 2.77Å; D122-V125 PolarHBondContact O-N 3.29Å; G123-V125 PolarHBondContact O-N 2.81Å; V125-R127 PolarHBondContact O-N 2.9Å; V125-I128 PolarHBondContact O-N 2.63Å; V125-H129 PolarHBondContact O-N 3.37Å; V125-V153 HydrophobicContact CG2-CG1 3.82Å; V125-V156 HydrophobicContact CG2-CB 3.85Å; V125-V156 HydrophobicContact CG2-CG1 3.81Å; V125-Y157 HydrophobicContact CG1-CD2 4.21Å; V125-Y160 HydrophobicContact CG1-CD2 3.99Å; V125-Y161 HydrophobicContact CG1-CD2 4.47Å; V125-Y161 HydrophobicContact CG1-CE2 3.85Å
126K97.5Very high95.2Very high120 Ų12041.3 Ų41.352%0.52220%0.201SC..Hα-helixtrans-60.1-45.3176.5-73.2170.8-176.1173.80112D122 G123 Q124 H129 Q130D122-K126 VanDerWaalsContact O-CG 3.32Å; D122-K126 WeakPolarHBondContact O-CG 3.33Å; D122-K126 PolarHBondContact O-N 3.5Å; G123-K126 PolarHBondContact O-N 3.07Å; Q124-K126 PolarHBondContact O-N 3.46Å; K126-H129 WeakPolarHBondContact O-CB 3.24Å; K126-H129 PolarHBondContact O-N 3.23Å; K126-Q130 WeakPolarHBondContact O-CG 3.13Å; K126-Q130 PolarHBondContact O-N 3.37Å
127R97.3Very high96.3Very high60 Ų6034.4 Ų34.423%0.22617%0.165CC..Hα-helixtrans-64.4-39.8177.1-70.6-58.6-166.8-167.53.3112.2F60 P106 D117 G123 Q124 V125 H129 Q130 F131F60-R127 HydrophobicContact CE1-CB 4.32Å; F60-R127 VanDerWaalsContact CE1-O 3.31Å; F60-R127 WeakPolarHBondContact CE1-O 3.38Å; F60-R127 WeakPolarHBondContact CZ-O 3.18Å; P106-R127 HydrophobicContact CB-CB 4.05Å; P106-R127 HydrophobicContact CB-CG 4.24Å; P106-R127 HydrophobicContact CG-CB 3.4Å; P106-R127 HydrophobicContact CG-CG 4.13Å; D117-R127 IonicContact OD1-CZ 3.63Å; D117-R127 IonicContact OD1-NE 3.63Å; D117-R127 IonicContact OD1-NH2 2.82Å; D117-R127 PolarHBondContact OD1-NH2 2.93Å; G123-R127 WeakPolarHBondContact O-CG 3.49Å; G123-R127 PolarHBondContact O-N 3.34Å; Q124-R127 PolarHBondContact O-N 2.81Å; V125-R127 PolarHBondContact O-N 2.9Å; R127-H129 VanDerWaalsContact C-N 3.33Å; R127-Q130 VanDerWaalsContact CD-OE1 3.23Å; R127-Q130 PolarHBondContact O-N 3.44Å; R127-F131 PolarHBondContact O-N 2.88Å
128I98.4Very high96.9Very high0 Ų036 Ų360%017%0.173CC..Hα-helixtrans-66.3-36.7174.6-67.9-58.9000111.5L75 L77 V103 M105 P106 Q124 V125 F131 V132 V153 Y157L75-I128 HydrophobicContact CD2-CG2 4.37Å; L77-I128 HydrophobicContact CD1-CG2 4.41Å; L77-I128 HydrophobicContact CD2-CD1 4.17Å; L77-I128 HydrophobicContact CD2-CG2 4.36Å; V103-I128 HydrophobicContact CG1-CD1 4.02Å; M105-I128 HydrophobicContact CE-CD1 4.21Å; M105-I128 HydrophobicContact CE-CG1 4.09Å; M105-I128 HydrophobicContact SD-CD1 3.77Å; M105-I128 HydrophobicContact SD-CG1 4.26Å; P106-I128 HydrophobicContact CG-CD1 4.32Å; Q124-I128 WeakPolarHBondContact O-CG1 3.29Å; Q124-I128 PolarHBondContact O-N 2.89Å; V125-I128 PolarHBondContact O-N 2.63Å; I128-F131 WeakPolarHBondContact O-CB 3.33Å; I128-F131 PolarHBondContact O-N 2.92Å; I128-V132 WeakPolarHBondContact O-CG2 3.36Å; I128-V132 PolarHBondContact O-N 3.36Å; I128-V153 HydrophobicContact CG1-CG1 4.16Å; I128-Y157 HydrophobicContact CG2-CD2 3.99Å; I128-Y157 HydrophobicContact CG2-CE2 4.05Å
129H98.6Very high97.1Very high27 Ų2740.5 Ų40.513%0.12519%0.19CC..Hα-helixtrans-63-45.8173.2-16863.2000111.8V125 K126 R127 F131 V132 E133 Y157 Y161 D164V125-H129 PolarHBondContact O-N 3.37Å; K126-H129 WeakPolarHBondContact O-CB 3.24Å; K126-H129 PolarHBondContact O-N 3.23Å; R127-H129 VanDerWaalsContact C-N 3.33Å; H129-F131 VanDerWaalsContact C-N 3.28Å; H129-F131 PolarHBondContact O-N 3.46Å; H129-V132 WeakPolarHBondContact O-CB 3.3Å; H129-V132 PolarHBondContact O-N 3.48Å; H129-V132 VanDerWaalsContact O-N 3.08Å; H129-E133 IonicContact NE2-OE1 3.9Å; H129-E133 WeakPolarHBondContact O-CG 3.48Å; H129-E133 PolarHBondContact O-N 3.33Å; H129-Y157 HydrophobicContact CB-CE2 3.85Å; H129-Y157 AromaticContact ND1-CE2 3.9Å; H129-Y157 AromaticContact ND1-CZ 3.76Å; H129-Y157 PolarHBondContact ND1-OH 3.38Å; H129-Y161 HydrophobicContact CB-CE2 3.92Å; H129-Y161 AromaticContact CD2-CE1 3.8Å; H129-Y161 AromaticContact CD2-CZ 3.8Å; H129-Y161 AromaticContact CE1-CD1 3.54Å; H129-Y161 AromaticContact CE1-CE1 3.66Å; H129-Y161 AromaticContact CE1-CG 3.97Å; H129-Y161 AromaticContact CG-CE1 3.93Å; H129-Y161 AromaticContact CG-CE2 3.84Å; H129-Y161 AromaticContact CG-CZ 3.66Å; H129-Y161 AromaticContact ND1-CD1 3.79Å; H129-Y161 AromaticContact ND1-CD2 3.89Å; H129-Y161 AromaticContact ND1-CE1 3.85Å; H129-Y161 AromaticContact ND1-CE2 3.94Å; H129-Y161 AromaticContact ND1-CG 3.81Å; H129-Y161 AromaticContact ND1-CZ 3.92Å; H129-Y161 AromaticContact NE2-CD1 3.96Å; H129-Y161 AromaticContact NE2-CE1 3.62Å; H129-D164 IonicContact CE1-OD2 3.34Å; H129-D164 PolarHBondContact CE1-OD2 3.16Å; H129-D164 IonicContact ND1-OD2 3.48Å; H129-D164 PolarHBondContact ND1-OD2 2.87Å
130Q97.9Very high97.2Very high44 Ų4445.2 Ų45.221%0.20621%0.209CC..Hα-helixtrans-56.5-42.3173.2-71.3173.9-20.600112.1F60 K126 R127 E133 C134F60-Q130 HydrophobicContact CZ-CB 4.23Å; K126-Q130 WeakPolarHBondContact O-CG 3.13Å; K126-Q130 PolarHBondContact O-N 3.37Å; R127-Q130 VanDerWaalsContact CD-OE1 3.23Å; R127-Q130 PolarHBondContact O-N 3.44Å; Q130-E133 PolarHBondContact O-N 3.44Å; Q130-C134 WeakPolarHBondContact O-CB 3.45Å; Q130-C134 PolarHBondContact O-N 3.5Å; Q130-C134 PolarHBondContact O-SG 3.08Å
131F98.5Very high97.3Very high0 Ų048.3 Ų48.30%023%0.229CC..Hα-helixtrans-61.1-45174.8172.8-110.8000112.5V53 F60 Y62 L75 V101 V103 R127 I128 H129 E133 C134 L135V53-F131 HydrophobicContact CG1-CD2 3.67Å; V53-F131 HydrophobicContact CG1-CE2 3.72Å; F60-F131 HydrophobicContact CB-CD2 3.46Å; F60-F131 VanDerWaalsContact CB-CD2 3.46Å; F60-F131 HydrophobicContact CB-CE2 3.87Å; F60-F131 HydrophobicContact CB-CG 4.42Å; F60-F131 HydrophobicContact CD1-CB 3.81Å; F60-F131 HydrophobicContact CD1-CD2 4Å; F60-F131 HydrophobicContact CD1-CG 4.16Å; F60-F131 HydrophobicContact CD2-CB 4.19Å; F60-F131 HydrophobicContact CD2-CD2 4.06Å; F60-F131 HydrophobicContact CE1-CB 3.77Å; F60-F131 HydrophobicContact CE2-CB 4.16Å; F60-F131 HydrophobicContact CG-CB 4.01Å; F60-F131 AromaticContact CG-CD2 3.59Å; F60-F131 HydrophobicContact CG-CD2 3.59Å; F60-F131 HydrophobicContact CG-CE2 4.47Å; F60-F131 HydrophobicContact CG-CG 4.17Å; F60-F131 HydrophobicContact CZ-CB 3.95Å; Y62-F131 AromaticContact CD1-CE2 3.58Å; Y62-F131 HydrophobicContact CD1-CE2 3.58Å; Y62-F131 AromaticContact CD1-CZ 3.92Å; Y62-F131 HydrophobicContact CD1-CZ 3.92Å; Y62-F131 HydrophobicContact CD2-CZ 4.31Å; Y62-F131 HydrophobicContact CE1-CE2 4.16Å; Y62-F131 AromaticContact CG-CE2 3.91Å; Y62-F131 HydrophobicContact CG-CE2 3.91Å; Y62-F131 AromaticContact CG-CZ 3.73Å; Y62-F131 HydrophobicContact CG-CZ 3.73Å; L75-F131 HydrophobicContact CD1-CE1 3.88Å; V101-F131 HydrophobicContact CG1-CE1 3.96Å; V101-F131 HydrophobicContact CG1-CZ 3.84Å; V103-F131 HydrophobicContact CB-CD1 4.32Å; V103-F131 HydrophobicContact CB-CE1 3.73Å; V103-F131 HydrophobicContact CB-CZ 3.93Å; V103-F131 HydrophobicContact CG1-CE1 4.34Å; V103-F131 HydrophobicContact CG2-CD1 4.05Å; V103-F131 HydrophobicContact CG2-CD2 4.32Å; V103-F131 HydrophobicContact CG2-CE1 3.78Å; V103-F131 HydrophobicContact CG2-CE2 4.07Å; V103-F131 HydrophobicContact CG2-CG 4.29Å; V103-F131 HydrophobicContact CG2-CZ 3.77Å; R127-F131 PolarHBondContact O-N 2.88Å; I128-F131 WeakPolarHBondContact O-CB 3.33Å; I128-F131 PolarHBondContact O-N 2.92Å; H129-F131 VanDerWaalsContact C-N 3.28Å; H129-F131 PolarHBondContact O-N 3.46Å; F131-E133 PolarHBondContact O-N 3.07Å; F131-C134 PolarHBondContact O-N 3.38Å; F131-L135 HydrophobicContact CD2-CD1 4.33Å; F131-L135 HydrophobicContact CD2-CG 4.38Å; F131-L135 HydrophobicContact CE1-CD1 3.79Å; F131-L135 HydrophobicContact CE2-CD1 3.55Å; F131-L135 HydrophobicContact CE2-CG 3.96Å; F131-L135 HydrophobicContact CZ-CD1 3.25Å; F131-L135 HydrophobicContact CZ-CG 4.15Å; F131-L135 PolarHBondContact O-N 3.19Å; F131-L135 VanDerWaalsContact O-N 3.08Å
132V98.6Very high97.4Very high0 Ų048.3 Ų48.30%023%0.229CC..Hα-helixtrans-59.2-45.3176.4163.10000111.2L75 I128 H129 L135 K136 L137 N138 F142L75-V132 HydrophobicContact CD2-CG2 3.69Å; I128-V132 WeakPolarHBondContact O-CG2 3.36Å; I128-V132 PolarHBondContact O-N 3.36Å; H129-V132 WeakPolarHBondContact O-CB 3.3Å; H129-V132 PolarHBondContact O-N 3.48Å; H129-V132 VanDerWaalsContact O-N 3.08Å; V132-L135 PolarHBondContact O-N 3.38Å; V132-K136 PolarHBondContact O-N 3.19Å; V132-L137 HydrophobicContact CG1-CB 4.09Å; V132-L137 PolarHBondContact O-N 3.09Å; V132-N138 HydrophobicContact CG1-CB 3.66Å; V132-F142 HydrophobicContact CG1-CE1 3.69Å; V132-F142 HydrophobicContact CG1-CZ 4.17Å; V132-F142 HydrophobicContact CG2-CE1 4.16Å; V132-F142 HydrophobicContact CG2-CZ 3.85Å
133E98.1Very high97.4Very high90 Ų9047.2 Ų47.242%0.42122%0.223SC..Hα-helixtrans-63.9-44.2177.5-70.1-173.2122.700112H129 Q130 F131 L135 K136H129-E133 IonicContact NE2-OE1 3.9Å; H129-E133 WeakPolarHBondContact O-CG 3.48Å; H129-E133 PolarHBondContact O-N 3.33Å; Q130-E133 PolarHBondContact O-N 3.44Å; F131-E133 PolarHBondContact O-N 3.07Å; E133-L135 VanDerWaalsContact C-N 3.29Å; E133-L135 PolarHBondContact O-N 2.84Å; E133-K136 WeakPolarHBondContact O-CA 3.25Å; E133-K136 PolarHBondContact O-N 3.4Å
134C97.8Very high97.6Very high37 Ų3747.1 Ų47.125%0.2522%0.221CC..Hα-helixtrans-60.9-38.8178.6-70.30000112.2V53 Q130 F131 K136V53-C134 HydrophobicContact CG1-CB 4.3Å; V53-C134 HydrophobicContact CG2-CB 3.66Å; Q130-C134 WeakPolarHBondContact O-CB 3.45Å; Q130-C134 PolarHBondContact O-N 3.5Å; Q130-C134 PolarHBondContact O-SG 3.08Å; F131-C134 PolarHBondContact O-N 3.38Å; C134-K136 VanDerWaalsContact C-N 3.28Å
135L97.3Very high97.6Very high42 Ų4247 Ų4722%0.2222%0.221CC..Hα-helixtrans-81.2-7.4174.5-66-170.1000113.7V53 Y62 V101 F131 V132 E133 L137V53-L135 HydrophobicContact CB-CD2 4.06Å; V53-L135 HydrophobicContact CG1-CD2 3.96Å; V53-L135 HydrophobicContact CG1-CG 4.33Å; V53-L135 HydrophobicContact CG2-CD2 4.17Å; Y62-L135 HydrophobicContact CD2-CD1 4.45Å; Y62-L135 HydrophobicContact CE1-CD1 4.46Å; Y62-L135 HydrophobicContact CE1-CD2 3.95Å; Y62-L135 HydrophobicContact CE2-CD1 4.17Å; Y62-L135 HydrophobicContact CE2-CD2 4.41Å; Y62-L135 WeakPolarHBondContact OH-CD2 3.29Å; V101-L135 HydrophobicContact CG1-CD1 4.03Å; F131-L135 HydrophobicContact CD2-CD1 4.33Å; F131-L135 HydrophobicContact CD2-CG 4.38Å; F131-L135 HydrophobicContact CE1-CD1 3.79Å; F131-L135 HydrophobicContact CE2-CD1 3.55Å; F131-L135 HydrophobicContact CE2-CG 3.96Å; F131-L135 HydrophobicContact CZ-CD1 3.25Å; F131-L135 HydrophobicContact CZ-CG 4.15Å; F131-L135 PolarHBondContact O-N 3.19Å; F131-L135 VanDerWaalsContact O-N 3.08Å; V132-L135 PolarHBondContact O-N 3.38Å; E133-L135 VanDerWaalsContact C-N 3.29Å; E133-L135 PolarHBondContact O-N 2.84Å; L135-L137 HydrophobicContact CB-CD1 4.11Å; L135-L137 HydrophobicContact CB-CG 3.77Å; L135-L137 HydrophobicContact CD1-CD1 3.89Å; L135-L137 HydrophobicContact CD1-CG 4.35Å; L135-L137 PolarHBondContact O-N 2.98Å
136K96.9Very high97.6Very high134 Ų13447 Ų4758%0.58322%0.221SC*.THydrogen-bonded Turntrans55.133.6-173.4-58174.7178.6178.30111.8V132 E133 C134 N138 K139V132-K136 PolarHBondContact O-N 3.19Å; E133-K136 WeakPolarHBondContact O-CA 3.25Å; E133-K136 PolarHBondContact O-N 3.4Å; C134-K136 VanDerWaalsContact C-N 3.28Å; K136-N138 VanDerWaalsContact C-N 3.3Å; K136-K139 HydrophobicContact CB-CD 4.07Å; K136-K139 HydrophobicContact CB-CG 4.15Å; K136-K139 PolarHBondContact O-N 3.44Å
137L96.6Very high97.7Very high13 Ų1341.6 Ų41.67%0.06820%0.198CC..G310 helixtrans-68.7-31.5-179.6-79.7175.7000111.6V101 V132 L135 K139 F142V101-L137 HydrophobicContact CG1-CD1 4.43Å; V101-L137 HydrophobicContact CG2-CD1 4.28Å; V101-L137 HydrophobicContact CG2-CD2 4.36Å; V132-L137 HydrophobicContact CG1-CB 4.09Å; V132-L137 PolarHBondContact O-N 3.09Å; L135-L137 HydrophobicContact CB-CD1 4.11Å; L135-L137 HydrophobicContact CB-CG 3.77Å; L135-L137 HydrophobicContact CD1-CD1 3.89Å; L135-L137 HydrophobicContact CD1-CG 4.35Å; L135-L137 PolarHBondContact O-N 2.98Å; L137-K139 PolarHBondContact O-N 3.04Å; L137-F142 HydrophobicContact CB-CD1 4.24Å; L137-F142 HydrophobicContact CB-CE1 4.47Å
138N96.3Very high97.7Very high52 Ų5239.5 Ų39.528%0.27819%0.193SC..G310 helixtrans-763.3177.562.8-16.6000114.9V132 K136 K140 D164V132-N138 HydrophobicContact CG1-CB 3.66Å; K136-N138 VanDerWaalsContact C-N 3.3Å; N138-K140 PolarHBondContact O-N 3.26Å; N138-K140 VanDerWaalsContact O-N 3.16Å; N138-D164 HydrophobicContact CB-CB 4.37Å
139K95.4Very high97.7Very high161 Ų16139.6 Ų39.670%0.719%0.193SC*.G310 helixtrans-58.9-25.3170-80.1-172.6169.6-170.60113K136 L137K136-K139 HydrophobicContact CB-CD 4.07Å; K136-K139 HydrophobicContact CB-CG 4.15Å; K136-K139 PolarHBondContact O-N 3.44Å; L137-K139 PolarHBondContact O-N 3.04Å
140K95Very high97.7Very high127 Ų12738.3 Ų38.355%0.55219%0.187SC*.SBendtrans-139.6149.2169.8-64.1-176.7-177.8179.10107.5N138 F142N138-K140 PolarHBondContact O-N 3.26Å; N138-K140 VanDerWaalsContact O-N 3.16Å; K140-F142 PolarHBondContact O-N 2.84Å
141P97.1Very high97.8Very high65 Ų6536.2 Ų36.242%0.42218%0.178SC..  trans-54.5135.8173.6-25.233.9000111.2P72 D164P72-P141 WeakPolarHBondContact CB-O 3.42Å; P141-D164 CarbonylContact C-O 3.56Å; P141-D164 VanDerWaalsContact CA-O 3.26Å; P141-D164 WeakPolarHBondContact CA-O 3.48Å
142F98.3Very high97.8Very high1 Ų136.3 Ų36.30%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-117.4161.1-18060.6-97.2000111.4S73 L75 V132 L137 K140 L144 Y157 D164 V165 S166S73-F142 WeakPolarHBondContact O-CB 3.34Å; L75-F142 HydrophobicContact CB-CD2 3.95Å; L75-F142 HydrophobicContact CB-CE2 3.98Å; L75-F142 HydrophobicContact CD2-CE2 3.9Å; L75-F142 HydrophobicContact CD2-CZ 4.24Å; V132-F142 HydrophobicContact CG1-CE1 3.69Å; V132-F142 HydrophobicContact CG1-CZ 4.17Å; V132-F142 HydrophobicContact CG2-CE1 4.16Å; V132-F142 HydrophobicContact CG2-CZ 3.85Å; L137-F142 HydrophobicContact CB-CD1 4.24Å; L137-F142 HydrophobicContact CB-CE1 4.47Å; K140-F142 PolarHBondContact O-N 2.84Å; F142-L144 HydrophobicContact CD2-CB 4.47Å; F142-L144 HydrophobicContact CE2-CB 4.13Å; F142-L144 HydrophobicContact CE2-CD1 4.23Å; F142-Y157 AromaticContact CZ-CE1 3.96Å; F142-Y157 HydrophobicContact CZ-CE1 3.96Å; F142-D164 WeakPolarHBondContact CD1-O 3.38Å; F142-D164 HydrophobicContact CE1-CB 3.88Å; F142-D164 VanDerWaalsContact CE1-O 3.3Å; F142-D164 WeakPolarHBondContact CE1-O 3.44Å; F142-D164 HydrophobicContact CZ-CB 4.27Å; F142-D164 PolarHBondContact N-O 3.37Å; F142-V165 HydrophobicContact CE2-CG2 4.49Å; F142-V165 CarbonylContact O-C 3.59Å; F142-V165 WeakPolarHBondContact O-CA 3.43Å; F142-S166 PolarHBondContact O-N 2.82Å
143H98.6Very high97.8Very high13 Ų1336.3 Ų36.36%0.0618%0.178CC..EExtended strand (participates in β ladder)trans-83.4131.2172.7-56.8-57.1000109.8S73 I74 L75 S166 S167 L324S73-H143 PolarHBondContact O-N 2.85Å; I74-H143 CarbonylContact C-O 3.59Å; I74-H143 WeakPolarHBondContact CA-O 3.37Å; I74-H143 HydrophobicContact CG1-CB 4.12Å; I74-H143 HydrophobicContact CG2-CB 4.46Å; L75-H143 PolarHBondContact N-O 3.05Å; H143-S166 PolarHBondContact CE1-OG 3.26Å; H143-S166 VanDerWaalsContact CE1-OG 3.31Å; H143-S167 PolarHBondContact ND1-OG 3.46Å; H143-L324 HydrophobicContact CB-CD2 3.84Å
144L98.9Very high97.8Very high1 Ų132 Ų321%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-111124.1-179.9-175.555.5000109.8L75 L77 F142 A154 Y157 V165 S167 L168 C169L75-L144 HydrophobicContact CB-CD1 4.06Å; L75-L144 HydrophobicContact CD2-CD1 3.96Å; L75-L144 HydrophobicContact CG-CD1 3.9Å; L77-L144 HydrophobicContact CD1-CD1 4.02Å; L77-L144 HydrophobicContact CD2-CD1 4.45Å; L77-L144 HydrophobicContact CG-CD1 3.94Å; F142-L144 HydrophobicContact CD2-CB 4.47Å; F142-L144 HydrophobicContact CE2-CB 4.13Å; F142-L144 HydrophobicContact CE2-CD1 4.23Å; L144-A154 HydrophobicContact CD1-CB 4.44Å; L144-A154 HydrophobicContact CD2-CB 3.88Å; L144-A154 HydrophobicContact CG-CB 3.84Å; L144-Y157 HydrophobicContact CD2-CD1 3.76Å; L144-Y157 HydrophobicContact CD2-CG 4.09Å; L144-V165 HydrophobicContact CB-CG1 4.15Å; L144-V165 HydrophobicContact CD2-CG2 4.29Å; L144-S167 PolarHBondContact N-O 3.06Å; L144-L168 HydrophobicContact CB-CD1 4.24Å; L144-L168 HydrophobicContact CD2-CD1 4.26Å; L144-L168 HydrophobicContact CG-CD1 4.18Å; L144-L168 CarbonylContact O-C 3.48Å; L144-L168 WeakPolarHBondContact O-CA 3.27Å; L144-C169 PolarHBondContact O-N 3Å
145V98.9Very high97.9Very high1 Ų130.2 Ų30.21%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-120.5126.9178.2-173.60000108.2I74 L75 M76 L77 W87 C169 I320I74-V145 HydrophobicContact CG2-CG2 3.79Å; L75-V145 PolarHBondContact O-N 3.01Å; M76-V145 CarbonylContact C-O 3.21Å; M76-V145 VanDerWaalsContact CA-O 3.3Å; M76-V145 WeakPolarHBondContact CA-O 3.46Å; M76-V145 HydrophobicContact CG-CB 4.27Å; L77-V145 PolarHBondContact N-O 2.81Å; W87-V145 HydrophobicContact CH2-CG1 3.78Å; W87-V145 HydrophobicContact CZ3-CG1 4.16Å; V145-C169 WeakPolarHBondContact CA-O 3.43Å; V145-C169 HydrophobicContact CB-CB 4.3Å; V145-C169 HydrophobicContact CG1-CB 4.04Å; V145-C169 HydrophobicContact CG2-CB 4Å; V145-I320 HydrophobicContact CG1-CD1 4.23Å
146G98.8Very high97.9Very high0 Ų028.2 Ų28.20%014%0.135CC..EExtended strand (participates in β ladder)trans-135.9143178.700000111.6L77 G151 C169 V171L77-G146 WeakPolarHBondContact O-CA 3.41Å; G146-G151 VanDerWaalsContact C-CA 3.43Å; G146-C169 PolarHBondContact N-O 2.87Å; G146-V171 PolarHBondContact O-N 3.31Å
147T98.6Very high98Very high6 Ų621.9 Ų21.94%0.03711%0.108CC..EExtended strand (participates in β ladder)trans-121.9140.9173.3-172.80000112.6L77 G79 M86 W87 M149 G150 G151 V171L77-T147 PolarHBondContact O-N 2.84Å; L77-T147 VanDerWaalsContact O-N 3.13Å; G79-T147 VanDerWaalsContact CA-O 3.32Å; G79-T147 WeakPolarHBondContact CA-O 3.25Å; G79-T147 PolarHBondContact N-O 3.26Å; M86-T147 HydrophobicContact CE-CG2 3.38Å; M86-T147 HydrophobicContact SD-CG2 4.44Å; W87-T147 HydrophobicContact CH2-CG2 4.11Å; W87-T147 HydrophobicContact CZ2-CG2 3.93Å; T147-M149 PolarHBondContact O-N 3.2Å; T147-G150 WeakPolarHBondContact O-CA 3.3Å; T147-G150 PolarHBondContact O-N 2.88Å; T147-G151 VanDerWaalsContact C-N 3.34Å; T147-G151 PolarHBondContact O-N 3.35Å; T147-V171 CarbonylContact C-O 3.52Å; T147-V171 WeakPolarHBondContact CA-O 3.21Å; T147-V171 WeakPolarHBondContact CB-O 3.5Å; T147-V171 PolarHBondContact OG1-O 3.04Å
148S97.8Very high98.1Very high16 Ų1621.2 Ų21.211%0.11210%0.104CC..THydrogen-bonded Turntrans54.5-126.7178.7-170.10000111.4G150 G151 Q152 V171 C172 P173 A174 H306S148-G150 VanDerWaalsContact C-N 3.25Å; S148-G150 PolarHBondContact O-N 2.85Å; S148-G151 CarbonylContact O-C 3.57Å; S148-G151 VanDerWaalsContact O-CA 3.32Å; S148-G151 WeakPolarHBondContact O-CA 3.47Å; S148-G151 PolarHBondContact O-N 3.06Å; S148-Q152 PolarHBondContact O-N 3.21Å; S148-V171 PolarHBondContact N-O 3.44Å; S148-C172 WeakPolarHBondContact CA-O 3.48Å; S148-C172 PolarHBondContact N-O 3.07Å; S148-P173 WeakPolarHBondContact O-CA 3.29Å; S148-A174 PolarHBondContact O-N 3.31Å; S148-H306 VanDerWaalsContact CB-NE2 3.27Å; S148-H306 WeakPolarHBondContact CB-NE2 3.21Å; S148-H306 PolarHBondContact OG-CE1 3.18Å; S148-H306 PolarHBondContact OG-NE2 3.44Å
149M98.3Very high98.2Very high2 Ų219.4 Ų19.41%0.0110%0.096CC..Hα-helixtrans-51.1-41.1170.7-175.4-160.277.400113F80 M105 I121 T147 G151 Q152 V153 I250F80-M149 HydrophobicContact CB-CB 3.98Å; F80-M149 HydrophobicContact CB-SD 3.96Å; F80-M149 HydrophobicContact CD2-SD 4.21Å; M105-M149 HydrophobicContact CB-CE 4.16Å; M105-M149 HydrophobicContact CE-CE 4.25Å; M105-M149 HydrophobicContact CG-CE 4.17Å; I121-M149 HydrophobicContact CD1-CG 4.4Å; T147-M149 PolarHBondContact O-N 3.2Å; M149-G151 PolarHBondContact O-N 3.43Å; M149-Q152 WeakPolarHBondContact O-CB 3.46Å; M149-Q152 PolarHBondContact O-N 3.45Å; M149-V153 WeakPolarHBondContact O-CG2 3.39Å; M149-V153 PolarHBondContact O-N 3.07Å; M149-I250 HydrophobicContact CG-CD1 3.87Å; M149-I250 HydrophobicContact CG-CG1 4.43Å; M149-I250 HydrophobicContact SD-CD1 3.27Å; M149-I250 WeakPolarHBondContact SD-CD1 3.14Å; M149-I250 HydrophobicContact SD-CG1 4.26Å
150G98.7Very high98.4Very high0 Ų016.6 Ų16.60%08%0.082CC..Hα-helixtrans-65.8-28.817500000112.7H78 T147 S148 A154H78-G150 VanDerWaalsContact O-CA 3.28Å; H78-G150 WeakPolarHBondContact O-CA 3.18Å; H78-G150 PolarHBondContact O-N 2.91Å; T147-G150 WeakPolarHBondContact O-CA 3.3Å; T147-G150 PolarHBondContact O-N 2.88Å; S148-G150 VanDerWaalsContact C-N 3.25Å; S148-G150 PolarHBondContact O-N 2.85Å; G150-A154 WeakPolarHBondContact O-CB 3.39Å; G150-A154 PolarHBondContact O-N 3.32Å
151G98.7Very high98.6Very high0 Ų013.2 Ų13.20%07%0.066CC..Hα-helixtrans-70.1-40.1171.400000112.2G146 T147 S148 M149 A154 G155 L170G146-G151 VanDerWaalsContact C-CA 3.43Å; T147-G151 VanDerWaalsContact C-N 3.34Å; T147-G151 PolarHBondContact O-N 3.35Å; S148-G151 CarbonylContact O-C 3.57Å; S148-G151 VanDerWaalsContact O-CA 3.32Å; S148-G151 WeakPolarHBondContact O-CA 3.47Å; S148-G151 PolarHBondContact O-N 3.06Å; M149-G151 PolarHBondContact O-N 3.43Å; G151-A154 PolarHBondContact O-N 3.29Å; G151-G155 PolarHBondContact O-N 3.19Å; G151-L170 VanDerWaalsContact O-CD2 3.27Å; G151-L170 WeakPolarHBondContact O-CD2 3.3Å
152Q98.6Very high98.6Very high1 Ų112.9 Ų12.91%0.0056%0.064CC..Hα-helixtrans-59.2-51.7172.4-175175.84.600111.2I121 S148 M149 A154 G155 V156 A174 S255 S258 L259I121-Q152 HydrophobicContact CD1-CG 4.01Å; I121-Q152 HydrophobicContact CG1-CG 4.29Å; I121-Q152 HydrophobicContact CG2-CG 4.16Å; S148-Q152 PolarHBondContact O-N 3.21Å; M149-Q152 WeakPolarHBondContact O-CB 3.46Å; M149-Q152 PolarHBondContact O-N 3.45Å; Q152-A154 VanDerWaalsContact C-N 3.33Å; Q152-A154 PolarHBondContact O-N 2.59Å; Q152-G155 PolarHBondContact O-N 3.12Å; Q152-V156 WeakPolarHBondContact O-CG2 3.32Å; Q152-V156 PolarHBondContact O-N 3Å; Q152-V156 VanDerWaalsContact O-N 3.09Å; Q152-A174 HydrophobicContact CB-CB 4.15Å; Q152-A174 WeakPolarHBondContact CB-O 3.35Å; Q152-S255 PolarHBondContact NE2-O 3.06Å; Q152-S258 PolarHBondContact NE2-OG 3.33Å; Q152-L259 HydrophobicContact CG-CB 4.14Å
153V98.9Very high98.5Very high0 Ų017.2 Ų17.20%09%0.094CC..Hα-helixtrans-60.7-42.9176.1175.70000110.9L77 M105 I121 Q124 V125 I128 M149 G155 V156 Y157L77-V153 HydrophobicContact CD1-CB 4.32Å; L77-V153 HydrophobicContact CD1-CG1 3.99Å; M105-V153 HydrophobicContact CE-CB 3.98Å; M105-V153 HydrophobicContact CE-CG1 3.93Å; M105-V153 HydrophobicContact CE-CG2 3.86Å; I121-V153 HydrophobicContact CD1-CG2 3.97Å; I121-V153 HydrophobicContact CG2-CG2 4.29Å; Q124-V153 HydrophobicContact CB-CG1 4.4Å; Q124-V153 HydrophobicContact CB-CG2 3.73Å; Q124-V153 HydrophobicContact CG-CG2 4.46Å; V125-V153 HydrophobicContact CG2-CG1 3.82Å; I128-V153 HydrophobicContact CG1-CG1 4.16Å; M149-V153 WeakPolarHBondContact O-CG2 3.39Å; M149-V153 PolarHBondContact O-N 3.07Å; V153-G155 PolarHBondContact O-N 2.99Å; V153-V156 PolarHBondContact O-N 3.49Å; V153-Y157 WeakPolarHBondContact O-CB 3.28Å; V153-Y157 PolarHBondContact O-N 3.06Å
154A98.9Very high98.5Very high0 Ų017.1 Ų17.10%09%0.094CC..Hα-helixtrans-61.5-42.5179.300000113L77 L144 G150 G151 Q152 Y157 A158 L168 L170L77-A154 HydrophobicContact CD1-CB 4.11Å; L144-A154 HydrophobicContact CD1-CB 4.44Å; L144-A154 HydrophobicContact CD2-CB 3.88Å; L144-A154 HydrophobicContact CG-CB 3.84Å; G150-A154 WeakPolarHBondContact O-CB 3.39Å; G150-A154 PolarHBondContact O-N 3.32Å; G151-A154 PolarHBondContact O-N 3.29Å; Q152-A154 VanDerWaalsContact C-N 3.33Å; Q152-A154 PolarHBondContact O-N 2.59Å; A154-Y157 PolarHBondContact O-N 3.14Å; A154-A158 WeakPolarHBondContact O-CB 3.36Å; A154-A158 PolarHBondContact O-N 3.48Å; A154-L168 HydrophobicContact CB-CD1 3.83Å; A154-L170 HydrophobicContact CB-CD2 4.26Å
155G98.8Very high98.5Very high0 Ų017.4 Ų17.40%010%0.096CC..Hα-helixtrans-67.7-44.2178.100000112.6G151 Q152 V153 Y157 A158 A159G151-G155 PolarHBondContact O-N 3.19Å; Q152-G155 PolarHBondContact O-N 3.12Å; V153-G155 PolarHBondContact O-N 2.99Å; G155-Y157 VanDerWaalsContact C-N 3.34Å; G155-Y157 PolarHBondContact O-N 2.75Å; G155-A158 PolarHBondContact O-N 3.45Å; G155-A159 PolarHBondContact O-N 2.9Å
156V98.8Very high98.4Very high0 Ų018.3 Ų18.30%010%0.102CC..Hα-helixtrans-65.5-38.9175.3-178.80000111.1I121 V125 Q152 V153 A158 A159 Y160I121-V156 HydrophobicContact CG2-CB 4.44Å; I121-V156 HydrophobicContact CG2-CG2 4.09Å; V125-V156 HydrophobicContact CG2-CB 3.85Å; V125-V156 HydrophobicContact CG2-CG1 3.81Å; Q152-V156 WeakPolarHBondContact O-CG2 3.32Å; Q152-V156 PolarHBondContact O-N 3Å; Q152-V156 VanDerWaalsContact O-N 3.09Å; V153-V156 PolarHBondContact O-N 3.49Å; V156-A158 PolarHBondContact O-N 3.08Å; V156-A159 WeakPolarHBondContact O-CB 3.5Å; V156-A159 PolarHBondContact O-N 3.35Å; V156-Y160 HydrophobicContact CG1-CD2 4.15Å; V156-Y160 HydrophobicContact CG1-CE1 4.33Å; V156-Y160 HydrophobicContact CG1-CE2 3.81Å; V156-Y160 PolarHBondContact O-N 2.82Å
157Y98.9Very high98.4Very high0 Ų018.3 Ų18.30%010%0.103CC..Hα-helixtrans-57.6-47.9173.3-173.6-76.2000111.5V125 I128 H129 F142 L144 V153 A154 G155 A159 Y160 Y161 D164 V165V125-Y157 HydrophobicContact CG1-CD2 4.21Å; I128-Y157 HydrophobicContact CG2-CD2 3.99Å; I128-Y157 HydrophobicContact CG2-CE2 4.05Å; H129-Y157 HydrophobicContact CB-CE2 3.85Å; H129-Y157 AromaticContact ND1-CE2 3.9Å; H129-Y157 AromaticContact ND1-CZ 3.76Å; H129-Y157 PolarHBondContact ND1-OH 3.38Å; F142-Y157 AromaticContact CZ-CE1 3.96Å; F142-Y157 HydrophobicContact CZ-CE1 3.96Å; L144-Y157 HydrophobicContact CD2-CD1 3.76Å; L144-Y157 HydrophobicContact CD2-CG 4.09Å; V153-Y157 WeakPolarHBondContact O-CB 3.28Å; V153-Y157 PolarHBondContact O-N 3.06Å; A154-Y157 PolarHBondContact O-N 3.14Å; G155-Y157 VanDerWaalsContact C-N 3.34Å; G155-Y157 PolarHBondContact O-N 2.75Å; Y157-A159 PolarHBondContact O-N 2.86Å; Y157-Y160 PolarHBondContact O-N 2.82Å; Y157-Y160 VanDerWaalsContact O-N 3.16Å; Y157-Y161 HydrophobicContact CD1-CD2 4.25Å; Y157-Y161 AromaticContact CD2-CD2 3.9Å; Y157-Y161 HydrophobicContact CD2-CD2 3.9Å; Y157-Y161 HydrophobicContact CD2-CE2 4.35Å; Y157-Y161 HydrophobicContact CE1-CD2 4.12Å; Y157-Y161 HydrophobicContact CE1-CG 4.36Å; Y157-Y161 AromaticContact CE2-CD2 3.79Å; Y157-Y161 HydrophobicContact CE2-CD2 3.79Å; Y157-Y161 HydrophobicContact CE2-CE2 4.28Å; Y157-Y161 HydrophobicContact CG-CD2 4.12Å; Y157-Y161 AromaticContact CZ-CD2 3.88Å; Y157-Y161 PolarHBondContact O-N 2.99Å; Y157-D164 HydrophobicContact CE1-CB 3.98Å; Y157-D164 PolarHBondContact OH-OD2 2.87Å; Y157-V165 HydrophobicContact CD1-CG2 3.88Å; Y157-V165 HydrophobicContact CE1-CG2 3.88Å
158A98.8Very high98.4Very high0 Ų018 Ų180%010%0.101CC..Hα-helixtrans-65.9-27.8179.600000113A154 G155 V156 P162 V165 L168 I266 V268A154-A158 WeakPolarHBondContact O-CB 3.36Å; A154-A158 PolarHBondContact O-N 3.48Å; G155-A158 PolarHBondContact O-N 3.45Å; V156-A158 PolarHBondContact O-N 3.08Å; A158-P162 WeakPolarHBondContact O-CA 3.39Å; A158-V165 HydrophobicContact CB-CG2 4.5Å; A158-L168 HydrophobicContact CB-CD1 4.35Å; A158-L168 HydrophobicContact CB-CD2 3.92Å; A158-I266 HydrophobicContact CB-CG2 4.45Å; A158-V268 HydrophobicContact CB-CG2 4.16Å
159A98.5Very high98.5Very high13 Ų1317.5 Ų17.511%0.10710%0.097CC..Hα-helixtrans-71.6-36.8172.500000112.6G155 V156 Y157 N262 K265 I266G155-A159 PolarHBondContact O-N 2.9Å; V156-A159 WeakPolarHBondContact O-CB 3.5Å; V156-A159 PolarHBondContact O-N 3.35Å; Y157-A159 PolarHBondContact O-N 2.86Å; A159-N262 HydrophobicContact CB-CB 3.89Å; A159-K265 HydrophobicContact CB-CB 3.9Å; A159-I266 HydrophobicContact CB-CG1 4.11Å
160Y98.7Very high98.5Very high102 Ų10217.4 Ų17.440%0.410%0.096SC..Hα-helixtrans-86.6-36-177.5-70.3-2.5000113.5D122 V125 V156 Y157 P162 N262D122-Y160 WeakPolarHBondContact OD1-CE2 3.38Å; D122-Y160 PolarHBondContact OD1-OH 2.99Å; V125-Y160 HydrophobicContact CG1-CD2 3.99Å; V156-Y160 HydrophobicContact CG1-CD2 4.15Å; V156-Y160 HydrophobicContact CG1-CE1 4.33Å; V156-Y160 HydrophobicContact CG1-CE2 3.81Å; V156-Y160 PolarHBondContact O-N 2.82Å; Y157-Y160 PolarHBondContact O-N 2.82Å; Y157-Y160 VanDerWaalsContact O-N 3.16Å; Y160-P162 WeakPolarHBondContact O-CD 3.43Å; Y160-N262 WeakPolarHBondContact CE1-OD1 3.32Å
161Y98.5Very high98.5Very high57 Ų5717.4 Ų17.422%0.22410%0.096CC..  trans-125.157.3-175.3-50.8-74.5000111.6V125 H129 Y157 S163 D164V125-Y161 HydrophobicContact CG1-CD2 4.47Å; V125-Y161 HydrophobicContact CG1-CE2 3.85Å; H129-Y161 HydrophobicContact CB-CE2 3.92Å; H129-Y161 AromaticContact CD2-CE1 3.8Å; H129-Y161 AromaticContact CD2-CZ 3.8Å; H129-Y161 AromaticContact CE1-CD1 3.54Å; H129-Y161 AromaticContact CE1-CE1 3.66Å; H129-Y161 AromaticContact CE1-CG 3.97Å; H129-Y161 AromaticContact CG-CE1 3.93Å; H129-Y161 AromaticContact CG-CE2 3.84Å; H129-Y161 AromaticContact CG-CZ 3.66Å; H129-Y161 AromaticContact ND1-CD1 3.79Å; H129-Y161 AromaticContact ND1-CD2 3.89Å; H129-Y161 AromaticContact ND1-CE1 3.85Å; H129-Y161 AromaticContact ND1-CE2 3.94Å; H129-Y161 AromaticContact ND1-CG 3.81Å; H129-Y161 AromaticContact ND1-CZ 3.92Å; H129-Y161 AromaticContact NE2-CD1 3.96Å; H129-Y161 AromaticContact NE2-CE1 3.62Å; Y157-Y161 HydrophobicContact CD1-CD2 4.25Å; Y157-Y161 AromaticContact CD2-CD2 3.9Å; Y157-Y161 HydrophobicContact CD2-CD2 3.9Å; Y157-Y161 HydrophobicContact CD2-CE2 4.35Å; Y157-Y161 HydrophobicContact CE1-CD2 4.12Å; Y157-Y161 HydrophobicContact CE1-CG 4.36Å; Y157-Y161 AromaticContact CE2-CD2 3.79Å; Y157-Y161 HydrophobicContact CE2-CD2 3.79Å; Y157-Y161 HydrophobicContact CE2-CE2 4.28Å; Y157-Y161 HydrophobicContact CG-CD2 4.12Å; Y157-Y161 AromaticContact CZ-CD2 3.88Å; Y157-Y161 PolarHBondContact O-N 2.99Å; Y161-S163 PolarHBondContact O-N 3Å; Y161-S163 VanDerWaalsContact O-N 3.14Å; Y161-D164 WeakPolarHBondContact O-CB 3.27Å; Y161-D164 PolarHBondContact O-N 3.17Å
162P97.4Very high98.5Very high58 Ų5817.4 Ų17.438%0.37710%0.096SC..G310 helixtrans-61.7-25.4-176.125.5-35000113.3A158 Y160 D164 V165 V268A158-P162 WeakPolarHBondContact O-CA 3.39Å; Y160-P162 WeakPolarHBondContact O-CD 3.43Å; P162-D164 VanDerWaalsContact C-N 3.27Å; P162-D164 PolarHBondContact O-N 3.29Å; P162-V165 PolarHBondContact O-N 2.84Å; P162-V268 HydrophobicContact CB-CG1 4.47Å
163S97.9Very high98.5Very high91 Ų9117.3 Ų17.364%0.63610%0.096SC*.G310 helixtrans-67.7-24.5176.254.90000114Y161 V165Y161-S163 PolarHBondContact O-N 3Å; Y161-S163 VanDerWaalsContact O-N 3.14Å; S163-V165 VanDerWaalsContact C-N 3.32Å
164D98.4Very high98.3Very high12 Ų1218 Ų186%0.06410%0.102CC..G310 helixtrans-81.5-17.8-179.1-72.75.2000111.9H129 N138 P141 F142 Y157 Y161 P162H129-D164 IonicContact CE1-OD2 3.34Å; H129-D164 PolarHBondContact CE1-OD2 3.16Å; H129-D164 IonicContact ND1-OD2 3.48Å; H129-D164 PolarHBondContact ND1-OD2 2.87Å; N138-D164 HydrophobicContact CB-CB 4.37Å; P141-D164 CarbonylContact C-O 3.56Å; P141-D164 VanDerWaalsContact CA-O 3.26Å; P141-D164 WeakPolarHBondContact CA-O 3.48Å; F142-D164 WeakPolarHBondContact CD1-O 3.38Å; F142-D164 HydrophobicContact CE1-CB 3.88Å; F142-D164 VanDerWaalsContact CE1-O 3.3Å; F142-D164 WeakPolarHBondContact CE1-O 3.44Å; F142-D164 HydrophobicContact CZ-CB 4.27Å; F142-D164 PolarHBondContact N-O 3.37Å; Y157-D164 HydrophobicContact CE1-CB 3.98Å; Y157-D164 PolarHBondContact OH-OD2 2.87Å; Y161-D164 WeakPolarHBondContact O-CB 3.27Å; Y161-D164 PolarHBondContact O-N 3.17Å; P162-D164 VanDerWaalsContact C-N 3.27Å; P162-D164 PolarHBondContact O-N 3.29Å
165V98.3Very high98.2Very high7 Ų718.3 Ų18.34%0.04211%0.105CC..EExtended strand (participates in β ladder)trans-114.2120.4-165.9-177.10000110.6F142 L144 Y157 A158 P162 S163 S167 V268F142-V165 HydrophobicContact CE2-CG2 4.49Å; F142-V165 CarbonylContact O-C 3.59Å; F142-V165 WeakPolarHBondContact O-CA 3.43Å; L144-V165 HydrophobicContact CB-CG1 4.15Å; L144-V165 HydrophobicContact CD2-CG2 4.29Å; Y157-V165 HydrophobicContact CD1-CG2 3.88Å; Y157-V165 HydrophobicContact CE1-CG2 3.88Å; A158-V165 HydrophobicContact CB-CG2 4.5Å; P162-V165 PolarHBondContact O-N 2.84Å; S163-V165 VanDerWaalsContact C-N 3.32Å; V165-S167 VanDerWaalsContact CG1-O 3.28Å; V165-S167 WeakPolarHBondContact CG1-O 3.28Å; V165-V268 HydrophobicContact CB-CG1 4.23Å; V165-V268 HydrophobicContact CG1-CB 4.47Å; V165-V268 HydrophobicContact CG1-CG1 4.37Å; V165-V268 HydrophobicContact CG1-CG2 4.04Å; V165-V268 WeakPolarHBondContact O-CG1 3.28Å
166S97.2Very high98Very high19 Ų1918.6 Ų18.613%0.13311%0.106CC..EExtended strand (participates in β ladder)trans-78.9-39.8172.2174.30000111.7F142 H143F142-S166 PolarHBondContact O-N 2.82Å; H143-S166 PolarHBondContact CE1-OG 3.26Å; H143-S166 VanDerWaalsContact CE1-OG 3.31Å
167S98.3Very high97.6Very high1 Ų123.3 Ų23.31%0.00713%0.129CC..EExtended strand (participates in β ladder)trans-157.4156.7174.973.60000111.2H143 L144 V165 P269H143-S167 PolarHBondContact ND1-OG 3.46Å; L144-S167 PolarHBondContact N-O 3.06Å; V165-S167 VanDerWaalsContact CG1-O 3.28Å; V165-S167 WeakPolarHBondContact CG1-O 3.28Å; S167-P269 WeakPolarHBondContact CA-O 3.27Å
168L98.9Very high96.9Very high0 Ų024.8 Ų24.80%013%0.134CC..EExtended strand (participates in β ladder)trans-117.7132.5-179.3179.565.9000110.7L144 A154 A158 L170 I266 V268 P269 T270 Q271 F323L144-L168 HydrophobicContact CB-CD1 4.24Å; L144-L168 HydrophobicContact CD2-CD1 4.26Å; L144-L168 HydrophobicContact CG-CD1 4.18Å; L144-L168 CarbonylContact O-C 3.48Å; L144-L168 WeakPolarHBondContact O-CA 3.27Å; A154-L168 HydrophobicContact CB-CD1 3.83Å; A158-L168 HydrophobicContact CB-CD1 4.35Å; A158-L168 HydrophobicContact CB-CD2 3.92Å; L168-L170 HydrophobicContact CD1-CD2 3.83Å; L168-L170 HydrophobicContact CD1-CG 4.4Å; L168-L170 HydrophobicContact CD2-CD1 4.03Å; L168-L170 HydrophobicContact CD2-CD2 3.94Å; L168-L170 HydrophobicContact CD2-CG 3.92Å; L168-L170 HydrophobicContact CG-CD2 3.88Å; L168-L170 HydrophobicContact CG-CG 3.91Å; L168-I266 HydrophobicContact CD2-CD1 4.14Å; L168-I266 HydrophobicContact CD2-CG2 3.98Å; L168-V268 HydrophobicContact CB-CG2 3.87Å; L168-P269 PolarHBondContact N-O 3.41Å; L168-T270 HydrophobicContact CB-CG2 4.27Å; L168-T270 HydrophobicContact CD2-CG2 4.05Å; L168-T270 HydrophobicContact CG-CG2 4.22Å; L168-T270 CarbonylContact O-C 3.59Å; L168-T270 VanDerWaalsContact O-CA 3.26Å; L168-T270 WeakPolarHBondContact O-CA 3.46Å; L168-Q271 PolarHBondContact O-N 2.62Å; L168-F323 WeakPolarHBondContact O-CE1 3.43Å
169C98.8Very high95.8Very high4 Ų430.2 Ų30.23%0.02717%0.172CC..EExtended strand (participates in β ladder)trans-120.6114170.9-176.40000109.2L144 V145 G146 Q271L144-C169 PolarHBondContact O-N 3Å; V145-C169 WeakPolarHBondContact CA-O 3.43Å; V145-C169 HydrophobicContact CB-CB 4.3Å; V145-C169 HydrophobicContact CG1-CB 4.04Å; V145-C169 HydrophobicContact CG2-CB 4Å; G146-C169 PolarHBondContact N-O 2.87Å; C169-Q271 CarbonylContact C-O 3.57Å; C169-Q271 WeakPolarHBondContact CA-O 3.31Å; C169-Q271 PolarHBondContact SG-OE1 2.79Å; C169-Q271 VanDerWaalsContact SG-OE1 3.35Å
170L98.9Very high94.5Very high0 Ų034.4 Ų34.40%020%0.197CC..EExtended strand (participates in β ladder)trans-103.8116.3-179.8-62.1-179.3000109.7G151 A154 L168 P173 T270 Q271 I272 I273 L289G151-L170 VanDerWaalsContact O-CD2 3.27Å; G151-L170 WeakPolarHBondContact O-CD2 3.3Å; A154-L170 HydrophobicContact CB-CD2 4.26Å; L168-L170 HydrophobicContact CD1-CD2 3.83Å; L168-L170 HydrophobicContact CD1-CG 4.4Å; L168-L170 HydrophobicContact CD2-CD1 4.03Å; L168-L170 HydrophobicContact CD2-CD2 3.94Å; L168-L170 HydrophobicContact CD2-CG 3.92Å; L168-L170 HydrophobicContact CG-CD2 3.88Å; L168-L170 HydrophobicContact CG-CG 3.91Å; L170-P173 HydrophobicContact CB-CB 4.36Å; L170-P173 HydrophobicContact CB-CG 3.92Å; L170-P173 HydrophobicContact CD1-CG 4.32Å; L170-P173 HydrophobicContact CD2-CB 4.49Å; L170-T270 HydrophobicContact CD1-CG2 4.27Å; L170-T270 HydrophobicContact CG-CG2 4.4Å; L170-Q271 PolarHBondContact N-O 3.44Å; L170-I272 CarbonylContact O-C 3.46Å; L170-I272 WeakPolarHBondContact O-CA 3.27Å; L170-I273 PolarHBondContact O-N 2.9Å; L170-L289 HydrophobicContact CD1-CD1 4.07Å; L170-L289 HydrophobicContact CD1-CD2 4.47Å
171V98.8Very high93.4Very high0 Ų031.9 Ų31.90%019%0.19CC..EExtended strand (participates in β ladder)trans-110.6102.6-179.7-171.60000110G146 T147 S148 I273 V308 V309G146-V171 PolarHBondContact O-N 3.31Å; T147-V171 CarbonylContact C-O 3.52Å; T147-V171 WeakPolarHBondContact CA-O 3.21Å; T147-V171 WeakPolarHBondContact CB-O 3.5Å; T147-V171 PolarHBondContact OG1-O 3.04Å; S148-V171 PolarHBondContact N-O 3.44Å; V171-I273 CarbonylContact C-O 3.58Å; V171-I273 WeakPolarHBondContact CA-O 3.31Å; V171-I273 HydrophobicContact CG1-CB 4.45Å; V171-I273 HydrophobicContact CG2-CB 4.41Å; V171-I273 HydrophobicContact CG2-CD1 4.33Å; V171-V308 HydrophobicContact CG1-CB 3.63Å; V171-V308 HydrophobicContact CG1-CG1 3.85Å; V171-V308 HydrophobicContact CG1-CG2 4.12Å; V171-V309 HydrophobicContact CG1-CG1 4.32Å
172C97.9Very high92.3Very high0 Ų030.3 Ų30.30%019%0.186CC..SBendtrans44.754.8-172.2-59.80000113.1S148 I273 W274 D278 L281S148-C172 WeakPolarHBondContact CA-O 3.48Å; S148-C172 PolarHBondContact N-O 3.07Å; C172-I273 PolarHBondContact N-O 3.23Å; C172-W274 HydrophobicContact CB-CD2 4.38Å; C172-W274 VanDerWaalsContact SG-CD1 3.56Å; C172-D278 WeakPolarHBondContact CB-OD2 3.33Å; C172-D278 PolarHBondContact SG-OD2 2.93Å; C172-D278 VanDerWaalsContact SG-OD2 3.34Å; C172-L281 WeakPolarHBondContact O-CD1 3.29Å
173P98.1Very high91.3Very high0 Ų035.5 Ų35.50%021%0.205CC..  trans-63.8141.5-176.929.7-40.5000113.1S148 L170 L259 W274 L281 L289S148-P173 WeakPolarHBondContact O-CA 3.29Å; L170-P173 HydrophobicContact CB-CB 4.36Å; L170-P173 HydrophobicContact CB-CG 3.92Å; L170-P173 HydrophobicContact CD1-CG 4.32Å; L170-P173 HydrophobicContact CD2-CB 4.49Å; P173-L259 HydrophobicContact CB-CD2 3.73Å; P173-L259 HydrophobicContact CG-CD2 4.08Å; P173-W274 HydrophobicContact CG-CH2 3.99Å; P173-W274 HydrophobicContact CG-CZ3 3.67Å; P173-W274 WeakPolarHBondContact O-CH2 3.32Å; P173-L281 VanDerWaalsContact O-CD1 3.31Å; P173-L281 WeakPolarHBondContact O-CD1 3.37Å; P173-L289 HydrophobicContact CG-CD1 3.62Å
174A96.6Very high90.2Very high14 Ų1431.9 Ų31.912%0.11618%0.178CC..SBendtrans-76.6-177.7166.800000111.5S148 Q152 L259 L281S148-A174 PolarHBondContact O-N 3.31Å; Q152-A174 HydrophobicContact CB-CB 4.15Å; Q152-A174 WeakPolarHBondContact CB-O 3.35Å; A174-L259 WeakPolarHBondContact O-CD2 3.36Å; A174-L281 HydrophobicContact CB-CD1 4.02Å
175G95.3Very high89Confident7 Ų732.8 Ų32.87%0.07218%0.183CC..  trans89.215171.800000115.9R256 Y257 L259 H260G175-R256 CarbonylContact C-O 3.59Å; G175-R256 VanDerWaalsContact CA-O 3.23Å; G175-R256 WeakPolarHBondContact CA-O 3.36Å; G175-Y257 CarbonylContact O-C 3.56Å; G175-Y257 VanDerWaalsContact O-CA 3.29Å; G175-Y257 WeakPolarHBondContact O-CA 3.47Å; G175-L259 WeakPolarHBondContact O-CB 3.47Å; G175-L259 PolarHBondContact O-N 3.19Å; G175-H260 PolarHBondContact O-N 3.13Å
176L94.1Very high87.9Confident5 Ų536.8 Ų36.83%0.02620%0.202CC..  trans-104.5142.8-180-61.7178.7000111.5Y178 L259 H260 M263 W274 G285 L289L176-Y178 HydrophobicContact CB-CE1 4.28Å; L176-Y178 HydrophobicContact CB-CE2 4.12Å; L176-Y178 WeakPolarHBondContact O-CD2 3.45Å; L176-Y178 WeakPolarHBondContact O-CE2 3.47Å; L176-L259 HydrophobicContact CD2-CB 4.38Å; L176-L259 HydrophobicContact CD2-CD2 4.08Å; L176-L259 HydrophobicContact CD2-CG 4Å; L176-L259 HydrophobicContact CG-CD2 4.42Å; L176-H260 HydrophobicContact CD2-CB 4.29Å; L176-M263 HydrophobicContact CD2-SD 4.39Å; L176-W274 HydrophobicContact CD1-CH2 3.99Å; L176-W274 HydrophobicContact CD1-CZ3 4.35Å; L176-G285 VanDerWaalsContact CD1-CA 3.5Å; L176-L289 HydrophobicContact CD1-CD1 4.01Å; L176-L289 HydrophobicContact CD1-CG 3.95Å; L176-L289 HydrophobicContact CD2-CD2 3.95Å; L176-L289 HydrophobicContact CD2-CG 4.21Å
177Q90.6Very high86.8Confident100 Ų10042.1 Ų42.147%0.46722%0.219SC..  trans-90.1111.5169.4-173.2173.19.700109.1Y257Q177-Y257 HydrophobicContact CB-CD1 3.71Å; Q177-Y257 HydrophobicContact CB-CD2 4.43Å; Q177-Y257 HydrophobicContact CB-CE1 3.88Å; Q177-Y257 HydrophobicContact CB-CG 4.02Å; Q177-Y257 HydrophobicContact CG-CD1 4.34Å; Q177-Y257 HydrophobicContact CG-CE1 4.07Å; Q177-Y257 HydrophobicContact CG-CE2 4.27Å
178Y85.4Confident85.6Confident30 Ų3043 Ų4312%0.11822%0.223CC..  trans-87151.1178.9-56.8-84.7000110.8L176 T180 D282 M288L176-Y178 HydrophobicContact CB-CE1 4.28Å; L176-Y178 HydrophobicContact CB-CE2 4.12Å; L176-Y178 WeakPolarHBondContact O-CD2 3.45Å; L176-Y178 WeakPolarHBondContact O-CE2 3.47Å; Y178-T180 PolarHBondContact O-N 3.13Å; Y178-D282 HydrophobicContact CD1-CB 3.81Å; Y178-D282 HydrophobicContact CE1-CB 3.93Å; Y178-D282 VanDerWaalsContact CE1-O 3.26Å; Y178-D282 WeakPolarHBondContact CE1-O 3.4Å; Y178-D282 HydrophobicContact CG-CB 4.39Å; Y178-M288 HydrophobicContact CD1-CE 3.31Å; Y178-M288 HydrophobicContact CE1-CE 3.75Å; Y178-M288 HydrophobicContact CG-CE 4.08Å
179S74.1Confident84.3Confident115 Ų11546.8 Ų46.880%0.80424%0.24SC*.SBendtrans-70.2-20.5174.856.10000113.1
180T73.1Confident83.1Confident101 Ų10152.5 Ų52.562%0.6227%0.266SS*.SBendtrans-143.3131.2178.7-48.90000108.4Y178Y178-T180 PolarHBondContact O-N 3.13Å
181D75.1Confident81.6Confident48 Ų4854 Ų5426%0.25727%0.274SS..  trans-71.8130.3175.3-62.1-40.6000109.6V185 Q186 K189D181-V185 HydrophobicContact CB-CB 4.09Å; D181-V185 HydrophobicContact CB-CG1 3.87Å; D181-V185 WeakPolarHBondContact OD1-CG1 3.38Å; D181-Q186 HydrophobicContact CB-CG 3.66Å; D181-Q186 PolarHBondContact O-NE2 2.87Å; D181-K189 IonicContact OD1-NZ 2.61Å; D181-K189 PolarHBondContact OD1-NZ 3.05Å; D181-K189 VanDerWaalsContact OD1-NZ 3.14Å; D181-K189 IonicContact OD2-NZ 3.62Å; D181-K189 PolarHBondContact OD2-NZ 3.18Å
182N75Confident80Confident25 Ų2557.8 Ų57.813%0.13429%0.292CS..  trans-73.8169.2167.870.116.4000110.6F184 V185 Q186 V280N182-F184 PolarHBondContact O-N 2.98Å; N182-F184 VanDerWaalsContact O-N 3.15Å; N182-F184 PolarHBondContact OD1-N 3.48Å; N182-V185 PolarHBondContact O-N 3.42Å; N182-V185 VanDerWaalsContact O-N 3.14Å; N182-V185 VanDerWaalsContact OD1-CG2 3.32Å; N182-V185 WeakPolarHBondContact OD1-CG2 3.26Å; N182-V185 PolarHBondContact OD1-N 3.25Å; N182-Q186 WeakPolarHBondContact O-CG 3.36Å; N182-Q186 PolarHBondContact O-N 2.93Å; N182-V280 PolarHBondContact ND2-O 2.93Å
183Q75.4Confident78.5Confident166 Ų16664.4 Ų64.478%0.77633%0.327SS*.Hα-helixtrans-56.1-34.4-178.2-69.1-177-100113R187Q183-R187 WeakPolarHBondContact O-CB 3.27Å; Q183-R187 PolarHBondContact O-N 3.15Å
184F75Confident76.6Confident16 Ų1667.8 Ų67.87%0.0735%0.351CS..Hα-helixtrans-67.3-48.2177.7175.1-106.7000111.8N182 Q186 R187 L188 P201 L202 L216 Q279 V280N182-F184 PolarHBondContact O-N 2.98Å; N182-F184 VanDerWaalsContact O-N 3.15Å; N182-F184 PolarHBondContact OD1-N 3.48Å; F184-Q186 VanDerWaalsContact C-N 3.33Å; F184-Q186 PolarHBondContact O-N 3.18Å; F184-R187 PolarHBondContact O-N 3.42Å; F184-L188 HydrophobicContact CD1-CD1 4Å; F184-L188 HydrophobicContact CD1-CG 4.41Å; F184-L188 HydrophobicContact CE1-CD1 3.36Å; F184-L188 HydrophobicContact CE1-CG 4.03Å; F184-L188 HydrophobicContact CE2-CD1 4.27Å; F184-L188 HydrophobicContact CE2-CD2 4.13Å; F184-L188 HydrophobicContact CE2-CG 4.12Å; F184-L188 HydrophobicContact CZ-CD1 3.53Å; F184-L188 HydrophobicContact CZ-CD2 4.03Å; F184-L188 HydrophobicContact CZ-CG 3.88Å; F184-L188 WeakPolarHBondContact O-CG 3.27Å; F184-L188 PolarHBondContact O-N 2.96Å; F184-P201 HydrophobicContact CE2-CB 4.22Å; F184-P201 HydrophobicContact CE2-CG 4.25Å; F184-L202 HydrophobicContact CE2-CG 4.33Å; F184-L202 HydrophobicContact CZ-CD1 3.8Å; F184-L202 HydrophobicContact CZ-CG 4Å; F184-L216 HydrophobicContact CD2-CD1 4.41Å; F184-L216 HydrophobicContact CD2-CD2 3.76Å; F184-L216 HydrophobicContact CE2-CD2 3.82Å; F184-Q279 WeakPolarHBondContact CB-O 3.13Å; F184-V280 HydrophobicContact CD1-CG1 3.99Å; F184-V280 VanDerWaalsContact CD1-O 3.27Å; F184-V280 WeakPolarHBondContact CD1-O 3.3Å; F184-V280 HydrophobicContact CE1-CG1 3.71Å; F184-V280 HydrophobicContact CZ-CG1 4.25Å
185V74.6Confident74.6Confident30 Ų3071.1 Ų71.118%0.18238%0.378CS..Hα-helixtrans-63-40.1178.1173.10000111.2D181 N182 L188 K189D181-V185 HydrophobicContact CB-CB 4.09Å; D181-V185 HydrophobicContact CB-CG1 3.87Å; D181-V185 WeakPolarHBondContact OD1-CG1 3.38Å; N182-V185 PolarHBondContact O-N 3.42Å; N182-V185 VanDerWaalsContact O-N 3.14Å; N182-V185 VanDerWaalsContact OD1-CG2 3.32Å; N182-V185 WeakPolarHBondContact OD1-CG2 3.26Å; N182-V185 PolarHBondContact OD1-N 3.25Å; V185-L188 PolarHBondContact O-N 3.35Å; V185-K189 WeakPolarHBondContact O-CG 3.21Å; V185-K189 PolarHBondContact O-N 3.27Å
186Q75.4Confident72.7Confident91 Ų9172.8 Ų72.843%0.42539%0.392SS..Hα-helixtrans-59.7-49.7174.3-67.3174.711.500111.1D181 N182 F184 L188 K189 E190D181-Q186 HydrophobicContact CB-CG 3.66Å; D181-Q186 PolarHBondContact O-NE2 2.87Å; N182-Q186 WeakPolarHBondContact O-CG 3.36Å; N182-Q186 PolarHBondContact O-N 2.93Å; F184-Q186 VanDerWaalsContact C-N 3.33Å; F184-Q186 PolarHBondContact O-N 3.18Å; Q186-L188 VanDerWaalsContact C-N 3.27Å; Q186-L188 PolarHBondContact O-N 2.96Å; Q186-K189 WeakPolarHBondContact O-CB 3.14Å; Q186-K189 PolarHBondContact O-N 2.89Å; Q186-K189 VanDerWaalsContact O-N 3.09Å; Q186-E190 WeakPolarHBondContact O-CG 3.41Å; Q186-E190 PolarHBondContact O-N 3.38Å
187R73.6Confident71.2Confident131 Ų13174.9 Ų74.949%0.49440%0.404SS..Hα-helixtrans-60.1-35.6176.5-172.2173.2-177.5-176.9-0.9112.5Q183 F184 L191Q183-R187 WeakPolarHBondContact O-CB 3.27Å; Q183-R187 PolarHBondContact O-N 3.15Å; F184-R187 PolarHBondContact O-N 3.42Å; R187-L191 HydrophobicContact CG-CD1 4.31Å; R187-L191 WeakPolarHBondContact O-CB 3.17Å; R187-L191 VanDerWaalsContact O-CG 3.22Å; R187-L191 WeakPolarHBondContact O-CG 3.24Å; R187-L191 PolarHBondContact O-N 3.29Å
188L72.4Confident70Confident19 Ų1977.6 Ų77.610%0.09942%0.417CS..Hα-helixtrans-67.3-39.2175.2-72.8-174.8000112.7F184 V185 Q186 L191 Q192 F247F184-L188 HydrophobicContact CD1-CD1 4Å; F184-L188 HydrophobicContact CD1-CG 4.41Å; F184-L188 HydrophobicContact CE1-CD1 3.36Å; F184-L188 HydrophobicContact CE1-CG 4.03Å; F184-L188 HydrophobicContact CE2-CD1 4.27Å; F184-L188 HydrophobicContact CE2-CD2 4.13Å; F184-L188 HydrophobicContact CE2-CG 4.12Å; F184-L188 HydrophobicContact CZ-CD1 3.53Å; F184-L188 HydrophobicContact CZ-CD2 4.03Å; F184-L188 HydrophobicContact CZ-CG 3.88Å; F184-L188 WeakPolarHBondContact O-CG 3.27Å; F184-L188 PolarHBondContact O-N 2.96Å; V185-L188 PolarHBondContact O-N 3.35Å; Q186-L188 VanDerWaalsContact C-N 3.27Å; Q186-L188 PolarHBondContact O-N 2.96Å; L188-L191 HydrophobicContact CD2-CD1 4.47Å; L188-L191 PolarHBondContact O-N 3.25Å; L188-Q192 WeakPolarHBondContact O-CG 3.45Å; L188-Q192 PolarHBondContact O-N 3.44Å; L188-F247 HydrophobicContact CD1-CZ 3.73Å; L188-F247 HydrophobicContact CD2-CE1 3.85Å; L188-F247 HydrophobicContact CD2-CZ 3.5Å; L188-F247 HydrophobicContact CG-CZ 4.25Å
189K72.9Confident69.6Low81 Ų8182.9 Ų82.935%0.35244%0.441SS..Hα-helixtrans-62.6-46.7174.8-70.1178.2-178.3-179.70110.6D181 V185 Q186 L191 Q192 D193D181-K189 IonicContact OD1-NZ 2.61Å; D181-K189 PolarHBondContact OD1-NZ 3.05Å; D181-K189 VanDerWaalsContact OD1-NZ 3.14Å; D181-K189 IonicContact OD2-NZ 3.62Å; D181-K189 PolarHBondContact OD2-NZ 3.18Å; V185-K189 WeakPolarHBondContact O-CG 3.21Å; V185-K189 PolarHBondContact O-N 3.27Å; Q186-K189 WeakPolarHBondContact O-CB 3.14Å; Q186-K189 PolarHBondContact O-N 2.89Å; Q186-K189 VanDerWaalsContact O-N 3.09Å; K189-L191 VanDerWaalsContact C-N 3.31Å; K189-L191 PolarHBondContact O-N 2.85Å; K189-Q192 WeakPolarHBondContact O-CB 3.49Å; K189-Q192 PolarHBondContact O-N 3.05Å; K189-Q192 VanDerWaalsContact O-N 3.13Å; K189-D193 VanDerWaalsContact O-CG 3.29Å; K189-D193 PolarHBondContact O-N 2.97Å
190E71.9Confident70.2Confident124 Ų12477.9 Ų77.958%0.57941%0.405SS*.Hα-helixtrans-58.3-39.9174.7-67.4170.9179.700112.9Q186 D193 S194Q186-E190 WeakPolarHBondContact O-CG 3.41Å; Q186-E190 PolarHBondContact O-N 3.38Å; E190-D193 PolarHBondContact O-N 3.2Å; E190-S194 VanDerWaalsContact O-CB 3.28Å; E190-S194 WeakPolarHBondContact O-CB 3.25Å; E190-S194 PolarHBondContact O-N 3.21Å; E190-S194 PolarHBondContact O-OG 3.23Å
191L68.1Low70.9Confident32 Ų3274.3 Ų74.317%0.16838%0.384CS..Hα-helixtrans-69.8-33.5177.3-73.8172.5000113R187 L188 K189 S194 A196R187-L191 HydrophobicContact CG-CD1 4.31Å; R187-L191 WeakPolarHBondContact O-CB 3.17Å; R187-L191 VanDerWaalsContact O-CG 3.22Å; R187-L191 WeakPolarHBondContact O-CG 3.24Å; R187-L191 PolarHBondContact O-N 3.29Å; L188-L191 HydrophobicContact CD2-CD1 4.47Å; L188-L191 PolarHBondContact O-N 3.25Å; K189-L191 VanDerWaalsContact C-N 3.31Å; K189-L191 PolarHBondContact O-N 2.85Å; L191-S194 WeakPolarHBondContact CA-OG 3.25Å; L191-S194 PolarHBondContact O-OG 3.3Å; L191-A196 HydrophobicContact CD2-CB 4.22Å
192Q65.9Low71.7Confident78 Ų7872.9 Ų72.936%0.36438%0.376SS..Hα-helixtrans-66.4-43.5172.5-74.8174.47.100111L188 K189L188-Q192 WeakPolarHBondContact O-CG 3.45Å; L188-Q192 PolarHBondContact O-N 3.44Å; K189-Q192 WeakPolarHBondContact O-CB 3.49Å; K189-Q192 PolarHBondContact O-N 3.05Å; K189-Q192 VanDerWaalsContact O-N 3.13Å
193D66.1Low72.7Confident140 Ų14071.8 Ų71.875%0.74937%0.37SS*.Hα-helixtrans-72.1-29.6-177.4-65.3-23.1000112.8K189 E190K189-D193 VanDerWaalsContact O-CG 3.29Å; K189-D193 PolarHBondContact O-N 2.97Å; E190-D193 PolarHBondContact O-N 3.2Å
194S58.5Low73.6Confident70 Ų7064 Ų6449%0.4933%0.333SS..THydrogen-bonded Turntrans-87.72.5-176.857.20000115.4E190 L191 A196E190-S194 VanDerWaalsContact O-CB 3.28Å; E190-S194 WeakPolarHBondContact O-CB 3.25Å; E190-S194 PolarHBondContact O-N 3.21Å; E190-S194 PolarHBondContact O-OG 3.23Å; L191-S194 WeakPolarHBondContact CA-OG 3.25Å; L191-S194 PolarHBondContact O-OG 3.3Å; S194-A196 PolarHBondContact O-N 3.02Å
195A54.1Low74.5Confident84 Ų8465 Ų6569%0.69434%0.343SS*.THydrogen-bonded Turntrans54.410.7-172.400000114.7V197A195-V197 PolarHBondContact O-N 3.04Å
196A56Low75.5Confident43 Ų4366 Ų6636%0.35535%0.349SS..  trans-83.656.5-179.400000111.4L191 S194 E198L191-A196 HydrophobicContact CD2-CB 4.22Å; S194-A196 PolarHBondContact O-N 3.02Å; A196-E198 PolarHBondContact O-N 2.95Å
197V62.4Low76.4Confident49 Ų4962.1 Ų62.130%0.29733%0.331SS..THydrogen-bonded Turntrans-65.2-6.6179.3-1740000112.4A195 I200 L248A195-V197 PolarHBondContact O-N 3.04Å; V197-I200 HydrophobicContact CG1-CD1 4.26Å; V197-L248 HydrophobicContact CG1-CD1 3.97Å; V197-L248 HydrophobicContact CG1-CD2 4.28Å; V197-L248 HydrophobicContact CG1-CG 4.32Å; V197-L248 HydrophobicContact CG2-CD2 4.5Å
198E65.9Low77.4Confident157 Ų15760.7 Ų60.773%0.73433%0.33SS*.THydrogen-bonded Turntrans-72-34.8-174.8-64-168.1160.400113.5A196 R244A196-E198 PolarHBondContact O-N 2.95Å; E198-R244 PolarHBondContact O-NH2 2.79Å
199K76.6Confident78.5Confident140 Ų14061.7 Ų61.761%0.60934%0.335SS*.  trans-116.768.3-173.3-67.1-169.3177.5-173.40113.4
200I86.2Confident79.5Confident10 Ų1058.4 Ų58.45%0.05132%0.321CS..  trans-81.5122.9171.6-65.9161.4000108.6V197 L202 I203 R244 F247V197-I200 HydrophobicContact CG1-CD1 4.26Å; I200-L202 HydrophobicContact CG2-CB 4.49Å; I200-L202 PolarHBondContact O-N 3.1Å; I200-I203 HydrophobicContact CB-CB 4.31Å; I200-I203 HydrophobicContact CB-CD1 3.93Å; I200-I203 HydrophobicContact CB-CG1 4.06Å; I200-I203 HydrophobicContact CD1-CD1 3.76Å; I200-I203 HydrophobicContact CG1-CD1 4.45Å; I200-I203 HydrophobicContact CG2-CD1 3.96Å; I200-I203 HydrophobicContact CG2-CG1 3.9Å; I200-I203 PolarHBondContact O-N 3.44Å; I200-R244 HydrophobicContact CD1-CG 4.23Å; I200-F247 HydrophobicContact CD1-CB 4.29Å; I200-F247 HydrophobicContact CD1-CD1 3.55Å; I200-F247 HydrophobicContact CD1-CE1 4.17Å; I200-F247 HydrophobicContact CD1-CG 4.09Å; I200-F247 HydrophobicContact CG1-CD1 4.1Å; I200-F247 HydrophobicContact CG1-CE1 4.22Å; I200-F247 HydrophobicContact CG2-CD1 3.87Å; I200-F247 HydrophobicContact CG2-CD2 4.07Å; I200-F247 HydrophobicContact CG2-CE1 3.74Å; I200-F247 HydrophobicContact CG2-CE2 3.96Å; I200-F247 HydrophobicContact CG2-CG 4.03Å; I200-F247 HydrophobicContact CG2-CZ 3.79Å
201P88.8Confident80.6Confident27 Ų2754.2 Ų54.218%0.17531%0.305CS..THydrogen-bonded Turntrans-58.6-20.1-174.5-27.234.5000115.7F184 M213 L216F184-P201 HydrophobicContact CE2-CB 4.22Å; F184-P201 HydrophobicContact CE2-CG 4.25Å; P201-M213 WeakPolarHBondContact O-CB 3.3Å; P201-M213 WeakPolarHBondContact O-CG 3.48Å; P201-L216 HydrophobicContact CB-CD2 3.95Å
202L91.9Very high81.8Confident17 Ų1757.9 Ų57.99%0.08932%0.321CS..THydrogen-bonded Turntrans-93.25.1177.4-58-177.3000113.4F80 S81 F184 I200 M213 L216 F247F80-L202 HydrophobicContact CD1-CB 3.93Å; F80-L202 HydrophobicContact CD1-CD1 4.22Å; F80-L202 HydrophobicContact CE1-CB 3.89Å; S81-L202 PolarHBondContact OG-O 2.99Å; F184-L202 HydrophobicContact CE2-CG 4.33Å; F184-L202 HydrophobicContact CZ-CD1 3.8Å; F184-L202 HydrophobicContact CZ-CG 4Å; I200-L202 HydrophobicContact CG2-CB 4.49Å; I200-L202 PolarHBondContact O-N 3.1Å; L202-M213 HydrophobicContact CD2-CG 4.42Å; L202-L216 HydrophobicContact CD2-CD2 4.15Å; L202-F247 HydrophobicContact CD1-CE2 4.25Å
203I94.4Very high83.2Confident2 Ų255.2 Ų55.21%0.0131%0.309CS..SBendtrans-129.869.5-179.4-48.3177.4000109.2F80 I200 N240 R244 F247F80-I203 HydrophobicContact CE1-CD1 4.16Å; F80-I203 HydrophobicContact CE1-CG1 3.72Å; F80-I203 HydrophobicContact CZ-CD1 3.78Å; F80-I203 HydrophobicContact CZ-CG1 3.82Å; I200-I203 HydrophobicContact CB-CB 4.31Å; I200-I203 HydrophobicContact CB-CD1 3.93Å; I200-I203 HydrophobicContact CB-CG1 4.06Å; I200-I203 HydrophobicContact CD1-CD1 3.76Å; I200-I203 HydrophobicContact CG1-CD1 4.45Å; I200-I203 HydrophobicContact CG2-CD1 3.96Å; I200-I203 HydrophobicContact CG2-CG1 3.9Å; I200-I203 PolarHBondContact O-N 3.44Å; I203-N240 HydrophobicContact CG2-CB 3.69Å; I203-N240 VanDerWaalsContact CG2-CG 3.41Å; I203-N240 WeakPolarHBondContact CG2-OD1 3.47Å; I203-R244 HydrophobicContact CD1-CB 4.32Å; I203-R244 HydrophobicContact CD1-CG 3.72Å; I203-F247 HydrophobicContact CD1-CB 4.2Å
204P94.4Very high84.5Confident2 Ų251.3 Ų51.31%0.01329%0.288CS..  trans-68139.9-177.329.3-35.6000111.2E209 M210 M213 N240P204-E209 HydrophobicContact CB-CB 3.81Å; P204-M210 HydrophobicContact CB-CB 4.01Å; P204-M210 HydrophobicContact CB-SD 4.34Å; P204-M210 HydrophobicContact CG-CB 4.31Å; P204-M210 HydrophobicContact CG-SD 3.61Å; P204-M213 VanDerWaalsContact CD-SD 3.52Å; P204-M213 HydrophobicContact CG-SD 3.73Å; P204-N240 PolarHBondContact O-ND2 3.08Å
205S94.4Very high86.2Confident38 Ų3852.2 Ų52.227%0.26629%0.285SS..  trans-119.8-7.5175.7-55.80000112.5E209 V233 N240S205-E209 WeakPolarHBondContact CA-OE2 3.46Å; S205-E209 PolarHBondContact N-OE2 2.79Å; S205-V233 WeakPolarHBondContact O-CG1 3.17Å; S205-N240 PolarHBondContact OG-ND2 3.05Å
206T95.1Very high88.1Confident51 Ų5149.8 Ų49.831%0.31326%0.26SS..SBendtrans-131.1161.2172.382.70000112E208 E209 M210 V233T206-E208 VanDerWaalsContact CB-OE2 3.31Å; T206-E208 WeakPolarHBondContact CB-OE2 3.29Å; T206-E208 PolarHBondContact O-N 2.86Å; T206-E208 PolarHBondContact OG1-N 3.29Å; T206-E208 PolarHBondContact OG1-OE2 3.26Å; T206-E209 PolarHBondContact N-OE2 3.02Å; T206-E209 PolarHBondContact O-N 2.75Å; T206-E209 PolarHBondContact OG1-N 3.23Å; T206-M210 PolarHBondContact O-N 2.83Å; T206-V233 WeakPolarHBondContact O-CG2 3.47Å
207P95.2Very high89.9Confident9 Ų948 Ų486%0.05825%0.245CC..Hα-helixtrans-55.9-35.4173.8-28.737.6000113.8M210 S211 Q226 L229 Q230P207-M210 PolarHBondContact O-N 2.9Å; P207-S211 PolarHBondContact O-N 3.06Å; P207-Q226 HydrophobicContact CB-CG 4.32Å; P207-L229 HydrophobicContact CB-CB 3.83Å; P207-Q230 HydrophobicContact CG-CB 4.22Å
208E94.9Very high91.4Very high101 Ų10146.2 Ų46.247%0.47223%0.234SC..Hα-helixtrans-66.2-50.2177.4-60.868.3-144.900110T206 M210 S211 E212T206-E208 VanDerWaalsContact CB-OE2 3.31Å; T206-E208 WeakPolarHBondContact CB-OE2 3.29Å; T206-E208 PolarHBondContact O-N 2.86Å; T206-E208 PolarHBondContact OG1-N 3.29Å; T206-E208 PolarHBondContact OG1-OE2 3.26Å; E208-M210 PolarHBondContact O-N 3.18Å; E208-S211 WeakPolarHBondContact O-CB 3.29Å; E208-S211 PolarHBondContact O-N 3.16Å; E208-S211 VanDerWaalsContact O-N 3.08Å; E208-E212 WeakPolarHBondContact O-CG 3.25Å; E208-E212 PolarHBondContact O-N 3.14Å
209E94.4Very high92.8Very high41 Ų4143.3 Ų43.319%0.19222%0.217CC..Hα-helixtrans-60.7-35.2174.9-68.3178.417200111.7P204 S205 T206 E212 M213P204-E209 HydrophobicContact CB-CB 3.81Å; S205-E209 WeakPolarHBondContact CA-OE2 3.46Å; S205-E209 PolarHBondContact N-OE2 2.79Å; T206-E209 PolarHBondContact N-OE2 3.02Å; T206-E209 PolarHBondContact O-N 2.75Å; T206-E209 PolarHBondContact OG1-N 3.23Å; E209-E212 PolarHBondContact O-N 3.43Å; E209-M213 WeakPolarHBondContact O-CB 3.46Å; E209-M213 PolarHBondContact O-N 3.48Å
210M95.1Very high93.3Very high11 Ų1138.9 Ų38.95%0.05420%0.202CC..Hα-helixtrans-66.9-40.8174.5-175.962.8-164.600111.8P204 T206 P207 E208 M213 L214 L229 L232 V233P204-M210 HydrophobicContact CB-CB 4.01Å; P204-M210 HydrophobicContact CB-SD 4.34Å; P204-M210 HydrophobicContact CG-CB 4.31Å; P204-M210 HydrophobicContact CG-SD 3.61Å; T206-M210 PolarHBondContact O-N 2.83Å; P207-M210 PolarHBondContact O-N 2.9Å; E208-M210 PolarHBondContact O-N 3.18Å; M210-M213 PolarHBondContact O-N 3.19Å; M210-M213 HydrophobicContact SD-SD 4.38Å; M210-L214 HydrophobicContact CE-CD1 4.19Å; M210-L214 HydrophobicContact CE-CD2 3.9Å; M210-L214 HydrophobicContact CE-CG 3.93Å; M210-L214 WeakPolarHBondContact O-CG 3.34Å; M210-L214 PolarHBondContact O-N 3.15Å; M210-L229 HydrophobicContact CB-CD2 4.34Å; M210-L229 HydrophobicContact CG-CD2 3.9Å; M210-L232 HydrophobicContact CE-CB 4Å; M210-L232 HydrophobicContact CE-CD1 3.86Å; M210-L232 HydrophobicContact CE-CG 4.43Å; M210-L232 HydrophobicContact CG-CB 4.28Å; M210-L232 HydrophobicContact SD-CB 4.39Å; M210-V233 HydrophobicContact CB-CG2 3.59Å; M210-V233 HydrophobicContact CG-CG2 4.15Å
211S94.9Very high93.2Very high36 Ų3644.8 Ų44.825%0.25222%0.223SC..Hα-helixtrans-61.9-44.7173.3-175.30000111P207 E208 L214 Q215P207-S211 PolarHBondContact O-N 3.06Å; E208-S211 WeakPolarHBondContact O-CB 3.29Å; E208-S211 PolarHBondContact O-N 3.16Å; E208-S211 VanDerWaalsContact O-N 3.08Å; S211-L214 PolarHBondContact O-N 3.43Å; S211-Q215 VanDerWaalsContact O-CB 3.25Å; S211-Q215 WeakPolarHBondContact O-CB 3.24Å; S211-Q215 WeakPolarHBondContact O-CG 3.34Å; S211-Q215 PolarHBondContact O-N 3Å; S211-Q215 PolarHBondContact OG-NE2 2.91Å
212E93.4Very high92.7Very high109 Ų10949.9 Ų49.951%0.50924%0.243SC..Hα-helixtrans-61-43.2175.2-71.3177.5-168.900112E208 E209 Q215 L216E208-E212 WeakPolarHBondContact O-CG 3.25Å; E208-E212 PolarHBondContact O-N 3.14Å; E209-E212 PolarHBondContact O-N 3.43Å; E212-Q215 CarbonylContact O-C 3.6Å; E212-Q215 WeakPolarHBondContact O-CB 3.46Å; E212-Q215 PolarHBondContact O-N 3.42Å; E212-L216 WeakPolarHBondContact O-CB 3.44Å; E212-L216 PolarHBondContact O-N 3.38Å
213M94.3Very high92.3Very high23 Ų2359.3 Ų59.311%0.11328%0.283CS..Hα-helixtrans-60.3-48.1174.7-177.6-171.8165.300111.2P201 L202 P204 E209 M210 Q215 L216 C217P201-M213 WeakPolarHBondContact O-CB 3.3Å; P201-M213 WeakPolarHBondContact O-CG 3.48Å; L202-M213 HydrophobicContact CD2-CG 4.42Å; P204-M213 VanDerWaalsContact CD-SD 3.52Å; P204-M213 HydrophobicContact CG-SD 3.73Å; E209-M213 WeakPolarHBondContact O-CB 3.46Å; E209-M213 PolarHBondContact O-N 3.48Å; M210-M213 PolarHBondContact O-N 3.19Å; M210-M213 HydrophobicContact SD-SD 4.38Å; M213-Q215 VanDerWaalsContact C-N 3.25Å; M213-Q215 PolarHBondContact O-N 2.96Å; M213-L216 PolarHBondContact O-N 3.44Å; M213-C217 WeakPolarHBondContact O-CB 3.32Å; M213-C217 PolarHBondContact O-N 3.03Å; M213-C217 PolarHBondContact O-SG 3.5Å
214L94.4Very high92Very high58 Ų5861.3 Ų61.330%0.30430%0.295SS..Hα-helixtrans-61.2-38177.8-70.7175.5000111.9M210 S211 C217 S218 V224 L229M210-L214 HydrophobicContact CE-CD1 4.19Å; M210-L214 HydrophobicContact CE-CD2 3.9Å; M210-L214 HydrophobicContact CE-CG 3.93Å; M210-L214 WeakPolarHBondContact O-CG 3.34Å; M210-L214 PolarHBondContact O-N 3.15Å; S211-L214 PolarHBondContact O-N 3.43Å; L214-C217 PolarHBondContact O-N 3.24Å; L214-S218 WeakPolarHBondContact O-CB 3.14Å; L214-S218 PolarHBondContact O-N 2.86Å; L214-S218 PolarHBondContact O-OG 3.32Å; L214-V224 HydrophobicContact CD1-CG2 4.27Å; L214-L229 HydrophobicContact CD1-CD2 3.86Å
215Q93.4Very high91.9Very high89 Ų8964.3 Ų64.342%0.41632%0.315SS..Hα-helixtrans-67.3-37.2176-83-175.149.400113.2S211 E212 M213 R221S211-Q215 VanDerWaalsContact O-CB 3.25Å; S211-Q215 WeakPolarHBondContact O-CB 3.24Å; S211-Q215 WeakPolarHBondContact O-CG 3.34Å; S211-Q215 PolarHBondContact O-N 3Å; S211-Q215 PolarHBondContact OG-NE2 2.91Å; E212-Q215 CarbonylContact O-C 3.6Å; E212-Q215 WeakPolarHBondContact O-CB 3.46Å; E212-Q215 PolarHBondContact O-N 3.42Å; M213-Q215 VanDerWaalsContact C-N 3.25Å; M213-Q215 PolarHBondContact O-N 2.96Å; Q215-R221 VanDerWaalsContact C-NH1 3.25Å; Q215-R221 VanDerWaalsContact CG-NH1 3.35Å; Q215-R221 PolarHBondContact O-NH1 2.82Å
216L93.1Very high91.8Very high32 Ų3268 Ų6817%0.16833%0.328CS..Hα-helixtrans-69.2-44.2174177.266.6000110.5F184 P201 L202 E212 M213 Q279 V280F184-L216 HydrophobicContact CD2-CD1 4.41Å; F184-L216 HydrophobicContact CD2-CD2 3.76Å; F184-L216 HydrophobicContact CE2-CD2 3.82Å; P201-L216 HydrophobicContact CB-CD2 3.95Å; L202-L216 HydrophobicContact CD2-CD2 4.15Å; E212-L216 WeakPolarHBondContact O-CB 3.44Å; E212-L216 PolarHBondContact O-N 3.38Å; M213-L216 PolarHBondContact O-N 3.44Å; L216-Q279 HydrophobicContact CD1-CB 4Å; L216-V280 HydrophobicContact CD2-CG2 4.32Å; L216-V280 HydrophobicContact CG-CG2 3.94Å
217C94.6Very high91.6Very high7 Ų768.7 Ų68.75%0.04733%0.328CS..Hα-helixtrans-83.9-13.1-172.8-62.90000114.5M213 L214 H306 S307M213-C217 WeakPolarHBondContact O-CB 3.32Å; M213-C217 PolarHBondContact O-N 3.03Å; M213-C217 PolarHBondContact O-SG 3.5Å; L214-C217 PolarHBondContact O-N 3.24Å; C217-H306 HydrophobicContact CB-CB 4.42Å; C217-H306 WeakPolarHBondContact O-CA 3.49Å; C217-H306 WeakPolarHBondContact O-CB 3.3Å; C217-H306 PolarHBondContact O-N 2.98Å; C217-S307 WeakPolarHBondContact CB-OG 3.25Å; C217-S307 PolarHBondContact O-N 3.38Å; C217-S307 PolarHBondContact O-OG 3.16Å
218S94.6Very high91.4Very high10 Ų1071.4 Ų71.47%0.0734%0.341CS..  trans-126.8140.5-174.4-45.20000112.3L214 E311L214-S218 WeakPolarHBondContact O-CB 3.14Å; L214-S218 PolarHBondContact O-N 2.86Å; L214-S218 PolarHBondContact O-OG 3.32Å; S218-E311 VanDerWaalsContact CA-OE1 3.31Å; S218-E311 WeakPolarHBondContact CA-OE1 3.35Å
219Y93.8Very high91.4Very high97 Ų9767.2 Ų67.238%0.3832%0.322SS..SBendtrans-71.4-45.8168172.7-92000110.6R221 Q277 N303 E311Y219-R221 PolarHBondContact O-N 3.2Å; Y219-Q277 HydrophobicContact CD2-CB 3.6Å; Y219-Q277 HydrophobicContact CD2-CG 3.62Å; Y219-Q277 HydrophobicContact CE2-CB 4.39Å; Y219-Q277 HydrophobicContact CE2-CG 3.9Å; Y219-Q277 HydrophobicContact CG-CB 4.38Å; Y219-N303 HydrophobicContact CD1-CB 3.77Å; Y219-N303 WeakPolarHBondContact CD1-O 3.46Å; Y219-N303 HydrophobicContact CE1-CB 3.44Å; Y219-N303 VanDerWaalsContact CE1-CB 3.44Å; Y219-N303 HydrophobicContact CG-CB 4.48Å; Y219-N303 PolarHBondContact OH-OD1 2.87Å; Y219-E311 VanDerWaalsContact N-CD 3.33Å; Y219-E311 PolarHBondContact N-OE1 3.14Å; Y219-E311 VanDerWaalsContact N-OE1 3.15Å; Y219-E311 PolarHBondContact N-OE2 3.17Å
220V87.4Confident91.5Very high46 Ų4668.4 Ų68.428%0.27933%0.327SS..SBendtrans-73.7122.7-179.6-176.60000110F222 E311V220-F222 HydrophobicContact CB-CE2 3.82Å; V220-F222 HydrophobicContact CB-CZ 3.82Å; V220-F222 HydrophobicContact CG1-CD1 4.19Å; V220-F222 HydrophobicContact CG1-CD2 4.29Å; V220-F222 HydrophobicContact CG1-CE1 3.65Å; V220-F222 HydrophobicContact CG1-CE2 3.77Å; V220-F222 HydrophobicContact CG1-CG 4.49Å; V220-F222 HydrophobicContact CG1-CZ 3.42Å; V220-F222 VanDerWaalsContact CG1-CZ 3.42Å; V220-F222 WeakPolarHBondContact O-CD2 3.47Å; V220-F222 PolarHBondContact O-N 3.44Å; V220-E311 PolarHBondContact N-OE2 2.84Å
221R85.4Confident91.4Very high134 Ų13467.9 Ų67.951%0.50633%0.325SS..  trans-87.3105.9177.8-52.6-62.2177.5166-7109.6Q215 Y219Q215-R221 VanDerWaalsContact C-NH1 3.25Å; Q215-R221 VanDerWaalsContact CG-NH1 3.35Å; Q215-R221 PolarHBondContact O-NH1 2.82Å; Y219-R221 PolarHBondContact O-N 3.2Å
222F77Confident91.4Very high135 Ų13567.7 Ų67.759%0.59232%0.321SS*.  trans-92.1132.2174.2-59.9-76.9000110.6V220 V224V220-F222 HydrophobicContact CB-CE2 3.82Å; V220-F222 HydrophobicContact CB-CZ 3.82Å; V220-F222 HydrophobicContact CG1-CD1 4.19Å; V220-F222 HydrophobicContact CG1-CD2 4.29Å; V220-F222 HydrophobicContact CG1-CE1 3.65Å; V220-F222 HydrophobicContact CG1-CE2 3.77Å; V220-F222 HydrophobicContact CG1-CG 4.49Å; V220-F222 HydrophobicContact CG1-CZ 3.42Å; V220-F222 VanDerWaalsContact CG1-CZ 3.42Å; V220-F222 WeakPolarHBondContact O-CD2 3.47Å; V220-F222 PolarHBondContact O-N 3.44Å; F222-V224 HydrophobicContact CB-CG2 3.99Å; F222-V224 PolarHBondContact O-N 2.81Å
223K84.9Confident91.5Very high214 Ų21462.5 Ų62.593%0.9330%0.297SS*.  trans-79.994.9164.9-69.2-173.1-179.9-177.30108.2
224V88.3Confident91.5Very high44 Ų4463.8 Ų63.827%0.26730%0.304SS..  trans-89.7127.5178.5-175.40000108.7L214 F222 I228 L229L214-V224 HydrophobicContact CD1-CG2 4.27Å; F222-V224 HydrophobicContact CB-CG2 3.99Å; F222-V224 PolarHBondContact O-N 2.81Å; V224-I228 HydrophobicContact CG1-CB 3.73Å; V224-I228 HydrophobicContact CG1-CG2 3.64Å; V224-L229 HydrophobicContact CB-CD1 4.46Å; V224-L229 HydrophobicContact CB-CD2 3.91Å; V224-L229 HydrophobicContact CB-CG 4Å; V224-L229 HydrophobicContact CG1-CD2 3.87Å; V224-L229 HydrophobicContact CG1-CG 3.84Å
225P91.1Very high91.5Very high66 Ų6662 Ų6243%0.42930%0.295SS..  trans-53139.7173.1-26.633.4000112.1Q227 I228 L229P225-Q227 PolarHBondContact O-N 2.78Å; P225-Q227 VanDerWaalsContact O-N 3.16Å; P225-I228 HydrophobicContact CB-CD1 4.44Å; P225-I228 HydrophobicContact CB-CG1 4.31Å; P225-I228 HydrophobicContact CG-CD1 4.11Å; P225-I228 WeakPolarHBondContact O-CB 3.38Å; P225-I228 PolarHBondContact O-N 3.4Å; P225-L229 PolarHBondContact O-N 2.85Å; P225-L229 VanDerWaalsContact O-N 3.14Å
226Q91.8Very high91.5Very high116 Ų11659 Ų5954%0.54228%0.28SS..Hα-helixtrans-55.8-36.8-175.5-172178.77.500112.7P207 I228 L229 Q230P207-Q226 HydrophobicContact CB-CG 4.32Å; Q226-I228 VanDerWaalsContact C-N 3.32Å; Q226-I228 PolarHBondContact O-N 3.04Å; Q226-L229 WeakPolarHBondContact O-CB 3.41Å; Q226-L229 PolarHBondContact O-N 3.37Å; Q226-Q230 WeakPolarHBondContact O-CB 3.19Å; Q226-Q230 PolarHBondContact O-N 2.85Å
227Q91.4Very high91.5Very high65 Ų6561.3 Ų61.330%0.30429%0.292SS..Hα-helixtrans-66.9-32.5178.2-66.377.19.400112.5F27 L28 P31 P225 Q230 G231F27-Q227 HydrophobicContact CD1-CB 4.09Å; F27-Q227 HydrophobicContact CD1-CG 4.07Å; F27-Q227 HydrophobicContact CE1-CB 3.51Å; F27-Q227 HydrophobicContact CE1-CG 3.57Å; F27-Q227 HydrophobicContact CE2-CB 3.99Å; F27-Q227 HydrophobicContact CZ-CB 3.46Å; F27-Q227 VanDerWaalsContact CZ-CB 3.46Å; F27-Q227 HydrophobicContact CZ-CG 4.06Å; L28-Q227 HydrophobicContact CD2-CG 4.37Å; P31-Q227 VanDerWaalsContact CB-O 3.24Å; P31-Q227 WeakPolarHBondContact CB-O 3.44Å; P225-Q227 PolarHBondContact O-N 2.78Å; P225-Q227 VanDerWaalsContact O-N 3.16Å; Q227-Q230 PolarHBondContact O-N 3.22Å; Q227-G231 PolarHBondContact O-N 3.4Å
228I92Very high91.5Very high65 Ų6565.2 Ų65.233%0.33332%0.317SS..Hα-helixtrans-70.4-42.5173.6-62.5-176.3000109.6F27 I35 V224 P225 Q226 Q230 G231 L232F27-I228 HydrophobicContact CE2-CG1 3.99Å; I35-I228 HydrophobicContact CD1-CG2 4.46Å; V224-I228 HydrophobicContact CG1-CB 3.73Å; V224-I228 HydrophobicContact CG1-CG2 3.64Å; P225-I228 HydrophobicContact CB-CD1 4.44Å; P225-I228 HydrophobicContact CB-CG1 4.31Å; P225-I228 HydrophobicContact CG-CD1 4.11Å; P225-I228 WeakPolarHBondContact O-CB 3.38Å; P225-I228 PolarHBondContact O-N 3.4Å; Q226-I228 VanDerWaalsContact C-N 3.32Å; Q226-I228 PolarHBondContact O-N 3.04Å; I228-Q230 VanDerWaalsContact C-N 3.31Å; I228-Q230 PolarHBondContact O-N 3.27Å; I228-G231 PolarHBondContact O-N 3.42Å; I228-L232 HydrophobicContact CG2-CD1 4.15Å; I228-L232 VanDerWaalsContact O-CG 3.3Å; I228-L232 WeakPolarHBondContact O-CG 3.37Å; I228-L232 PolarHBondContact O-N 3.43Å
229L94.6Very high91.4Very high14 Ų1465.9 Ų65.97%0.07332%0.319CS..Hα-helixtrans-58.7-44.6173.7-66.3172.6000110.9P207 M210 L214 V224 P225 Q226 G231 L232 V233P207-L229 HydrophobicContact CB-CB 3.83Å; M210-L229 HydrophobicContact CB-CD2 4.34Å; M210-L229 HydrophobicContact CG-CD2 3.9Å; L214-L229 HydrophobicContact CD1-CD2 3.86Å; V224-L229 HydrophobicContact CB-CD1 4.46Å; V224-L229 HydrophobicContact CB-CD2 3.91Å; V224-L229 HydrophobicContact CB-CG 4Å; V224-L229 HydrophobicContact CG1-CD2 3.87Å; V224-L229 HydrophobicContact CG1-CG 3.84Å; P225-L229 PolarHBondContact O-N 2.85Å; P225-L229 VanDerWaalsContact O-N 3.14Å; Q226-L229 WeakPolarHBondContact O-CB 3.41Å; Q226-L229 PolarHBondContact O-N 3.37Å; L229-G231 PolarHBondContact O-N 2.86Å; L229-L232 PolarHBondContact O-N 2.79Å; L229-V233 VanDerWaalsContact O-CG2 3.3Å; L229-V233 WeakPolarHBondContact O-CG2 3.4Å; L229-V233 PolarHBondContact O-N 2.87Å
230Q95.1Very high91.3Very high65 Ų6561.5 Ų61.530%0.30430%0.302SS..Hα-helixtrans-59.5-47.4175.2-171.663.455.800111.5P31 P207 Q226 Q227 I228 L232 V233 D234P31-Q230 HydrophobicContact CG-CB 4.31Å; P31-Q230 HydrophobicContact CG-CG 4.09Å; P207-Q230 HydrophobicContact CG-CB 4.22Å; Q226-Q230 WeakPolarHBondContact O-CB 3.19Å; Q226-Q230 PolarHBondContact O-N 2.85Å; Q227-Q230 PolarHBondContact O-N 3.22Å; I228-Q230 VanDerWaalsContact C-N 3.31Å; I228-Q230 PolarHBondContact O-N 3.27Å; Q230-L232 VanDerWaalsContact C-N 3.28Å; Q230-L232 PolarHBondContact O-N 2.71Å; Q230-V233 WeakPolarHBondContact O-CB 3.24Å; Q230-V233 PolarHBondContact O-N 2.87Å; Q230-V233 VanDerWaalsContact O-N 3.1Å; Q230-D234 PolarHBondContact NE2-OD1 2.97Å; Q230-D234 WeakPolarHBondContact O-CB 3.27Å; Q230-D234 PolarHBondContact O-N 3.13Å
231G94.9Very high91.5Very high0 Ų065 Ų650%032%0.32CS..Hα-helixtrans-60.3-36.7177.200000113.4Q227 I228 L229 V235Q227-G231 PolarHBondContact O-N 3.4Å; I228-G231 PolarHBondContact O-N 3.42Å; L229-G231 PolarHBondContact O-N 2.86Å; G231-V235 WeakPolarHBondContact O-CG1 3.31Å; G231-V235 PolarHBondContact O-N 2.88Å
232L94.6Very high91.8Very high33 Ų3360.1 Ų60.117%0.17330%0.302CS..Hα-helixtrans-68.8-36.1175-69.3168.9000112.1I35 M210 I228 L229 Q230 V235 R236I35-L232 HydrophobicContact CD1-CD2 4.09Å; I35-L232 HydrophobicContact CD1-CG 4.26Å; I35-L232 HydrophobicContact CG1-CD2 4.46Å; I35-L232 HydrophobicContact CG2-CD2 4.3Å; M210-L232 HydrophobicContact CE-CB 4Å; M210-L232 HydrophobicContact CE-CD1 3.86Å; M210-L232 HydrophobicContact CE-CG 4.43Å; M210-L232 HydrophobicContact CG-CB 4.28Å; M210-L232 HydrophobicContact SD-CB 4.39Å; I228-L232 HydrophobicContact CG2-CD1 4.15Å; I228-L232 VanDerWaalsContact O-CG 3.3Å; I228-L232 WeakPolarHBondContact O-CG 3.37Å; I228-L232 PolarHBondContact O-N 3.43Å; L229-L232 PolarHBondContact O-N 2.79Å; Q230-L232 VanDerWaalsContact C-N 3.28Å; Q230-L232 PolarHBondContact O-N 2.71Å; L232-V235 VanDerWaalsContact O-CG2 3.24Å; L232-V235 WeakPolarHBondContact O-CG2 3.33Å; L232-R236 WeakPolarHBondContact O-CD 3.23Å; L232-R236 WeakPolarHBondContact O-CG 3.4Å
233V95.1Very high92.6Very high0 Ų053.7 Ų53.70%027%0.274CS..Hα-helixtrans-69-48.2174.71690000110.7S205 T206 M210 L229 Q230 V235 R236 I237S205-V233 WeakPolarHBondContact O-CG1 3.17Å; T206-V233 WeakPolarHBondContact O-CG2 3.47Å; M210-V233 HydrophobicContact CB-CG2 3.59Å; M210-V233 HydrophobicContact CG-CG2 4.15Å; L229-V233 VanDerWaalsContact O-CG2 3.3Å; L229-V233 WeakPolarHBondContact O-CG2 3.4Å; L229-V233 PolarHBondContact O-N 2.87Å; Q230-V233 WeakPolarHBondContact O-CB 3.24Å; Q230-V233 PolarHBondContact O-N 2.87Å; Q230-V233 VanDerWaalsContact O-N 3.1Å; V233-V235 VanDerWaalsContact C-N 3.28Å; V233-V235 PolarHBondContact O-N 2.91Å; V233-R236 CarbonylContact O-C 3.53Å; V233-R236 WeakPolarHBondContact O-CA 3.34Å; V233-R236 WeakPolarHBondContact O-CB 3.41Å; V233-R236 PolarHBondContact O-N 3.5Å; V233-I237 HydrophobicContact CG1-CD1 3.6Å; V233-I237 HydrophobicContact CG1-CG1 3.86Å; V233-I237 PolarHBondContact O-N 3.25Å
234D94.9Very high92.9Very high49 Ų4945.9 Ų45.926%0.26224%0.238SC..Hα-helixtrans-58.1-38.3-177.3-71.8-10.5000112.7Q230 R236 P238Q230-D234 PolarHBondContact NE2-OD1 2.97Å; Q230-D234 WeakPolarHBondContact O-CB 3.27Å; Q230-D234 PolarHBondContact O-N 3.13Å; D234-R236 VanDerWaalsContact C-N 3.25Å; D234-R236 PolarHBondContact O-N 2.93Å; D234-P238 WeakPolarHBondContact O-CD 3.31Å
235V93.6Very high93Very high20 Ų2050.3 Ų50.312%0.12125%0.254CS..Hα-helixtrans-72.2-19176-620000112.9I35 R36 G231 L232 V233 H239I35-V235 HydrophobicContact CB-CG1 4.3Å; I35-V235 HydrophobicContact CG2-CG1 4.26Å; I35-V235 HydrophobicContact CG2-CG2 4.28Å; R36-V235 HydrophobicContact CG-CG1 4.41Å; G231-V235 WeakPolarHBondContact O-CG1 3.31Å; G231-V235 PolarHBondContact O-N 2.88Å; L232-V235 VanDerWaalsContact O-CG2 3.24Å; L232-V235 WeakPolarHBondContact O-CG2 3.33Å; V233-V235 VanDerWaalsContact C-N 3.28Å; V233-V235 PolarHBondContact O-N 2.91Å; V235-H239 PolarHBondContact O-CD2 3.23Å; V235-H239 VanDerWaalsContact O-CD2 3.28Å
236R93.6Very high93.1Very high26 Ų2647.1 Ų47.110%0.09823%0.234CC..Hα-helixtrans-96.2-35.7-177.7-66.1166.490.875.1-1.5112.9S81 L232 V233 D234 P238 H239 N240S81-R236 VanDerWaalsContact CB-NH2 3.29Å; S81-R236 PolarHBondContact O-NH1 3.33Å; S81-R236 PolarHBondContact O-NH2 3.28Å; S81-R236 PolarHBondContact OG-NH2 3.14Å; L232-R236 WeakPolarHBondContact O-CD 3.23Å; L232-R236 WeakPolarHBondContact O-CG 3.4Å; V233-R236 CarbonylContact O-C 3.53Å; V233-R236 WeakPolarHBondContact O-CA 3.34Å; V233-R236 WeakPolarHBondContact O-CB 3.41Å; V233-R236 PolarHBondContact O-N 3.5Å; D234-R236 VanDerWaalsContact C-N 3.25Å; D234-R236 PolarHBondContact O-N 2.93Å; R236-P238 VanDerWaalsContact C-CD 3.41Å; R236-P238 VanDerWaalsContact C-N 3.32Å; R236-P238 VanDerWaalsContact O-N 3.14Å; R236-H239 WeakPolarHBondContact O-CA 3.33Å; R236-H239 WeakPolarHBondContact O-CB 3.43Å; R236-H239 PolarHBondContact O-N 3.41Å; R236-N240 PolarHBondContact O-N 3.38Å; R236-N240 PolarHBondContact O-OD1 2.95Å
237I93.5Very high93.1Very high81 Ų8142.3 Ų42.342%0.41521%0.211SC..Hα-helixtrans-45.4-47.4-176.6-81174.3000113.4V233 H239 N240V233-I237 HydrophobicContact CG1-CD1 3.6Å; V233-I237 HydrophobicContact CG1-CG1 3.86Å; V233-I237 PolarHBondContact O-N 3.25Å; I237-H239 PolarHBondContact O-N 3.28Å; I237-N240 PolarHBondContact O-N 3.23Å; I237-N240 VanDerWaalsContact O-N 3.14Å
238P93.5Very high93Very high89 Ų8942.8 Ų42.858%0.57822%0.215SC*.Hα-helixtrans-59.3-18.6179.8-25.735.9000114.2D234 R236D234-P238 WeakPolarHBondContact O-CD 3.31Å; R236-P238 VanDerWaalsContact C-CD 3.41Å; R236-P238 VanDerWaalsContact C-N 3.32Å; R236-P238 VanDerWaalsContact O-N 3.14Å
239H92.9Very high92.9Very high25 Ų2542.2 Ų42.212%0.11621%0.211CC..Hα-helixtrans-101.9-17.7-176.7-53.9-77.8000113.6E109 R113 V235 R236 I237 N241 F242 Y243E109-H239 IonicContact OE1-CD2 3.56Å; E109-H239 IonicContact OE1-CG 3.84Å; E109-H239 IonicContact OE1-NE2 3.86Å; E109-H239 IonicContact OE2-CE1 3.27Å; E109-H239 IonicContact OE2-NE2 3.61Å; R113-H239 VanDerWaalsContact CZ-ND1 3.34Å; R113-H239 PolarHBondContact NH1-ND1 3.19Å; R113-H239 VanDerWaalsContact NH2-CB 3.34Å; R113-H239 PolarHBondContact NH2-ND1 3.02Å; V235-H239 PolarHBondContact O-CD2 3.23Å; V235-H239 VanDerWaalsContact O-CD2 3.28Å; R236-H239 WeakPolarHBondContact O-CA 3.33Å; R236-H239 WeakPolarHBondContact O-CB 3.43Å; R236-H239 PolarHBondContact O-N 3.41Å; I237-H239 PolarHBondContact O-N 3.28Å; H239-N241 VanDerWaalsContact C-N 3.31Å; H239-N241 PolarHBondContact O-N 3.14Å; H239-F242 PolarHBondContact O-N 3.5Å; H239-Y243 HydrophobicContact CB-CD2 3.84Å; H239-Y243 HydrophobicContact CB-CE1 4.19Å; H239-Y243 HydrophobicContact CB-CE2 3.37Å; H239-Y243 HydrophobicContact CB-CG 4.42Å; H239-Y243 PolarHBondContact O-N 3.34Å
240N92.8Very high92.7Very high4 Ų442.3 Ų42.32%0.02121%0.211CC..Hα-helixtrans-57.1-39.1-170.6-76.81.9000113.1I203 P204 S205 R236 I237 F242 Y243 R244I203-N240 HydrophobicContact CG2-CB 3.69Å; I203-N240 VanDerWaalsContact CG2-CG 3.41Å; I203-N240 WeakPolarHBondContact CG2-OD1 3.47Å; P204-N240 PolarHBondContact O-ND2 3.08Å; S205-N240 PolarHBondContact OG-ND2 3.05Å; R236-N240 PolarHBondContact O-N 3.38Å; R236-N240 PolarHBondContact O-OD1 2.95Å; I237-N240 PolarHBondContact O-N 3.23Å; I237-N240 VanDerWaalsContact O-N 3.14Å; N240-F242 VanDerWaalsContact C-N 3.32Å; N240-F242 PolarHBondContact O-N 3.16Å; N240-Y243 PolarHBondContact O-N 3.28Å; N240-R244 WeakPolarHBondContact O-CG 3.24Å; N240-R244 PolarHBondContact O-N 3.25Å
241N91Very high92.3Very high121 Ų12140.3 Ų40.365%0.64720%0.203SC*.Hα-helixtrans-61.3-39.6178-73.3-14.3000112.8H239 R244H239-N241 VanDerWaalsContact C-N 3.31Å; H239-N241 PolarHBondContact O-N 3.14Å; N241-R244 PolarHBondContact OD1-NH1 2.86Å; N241-R244 VanDerWaalsContact OD1-NH1 3.07Å
242F92Very high92Very high30 Ų3041.6 Ų41.613%0.13221%0.213CC..Hα-helixtrans-74.9-40.2175.8-166.8-83.3000111G107 R113 L119 H239 N240 R244 K245 L246G107-F242 WeakPolarHBondContact O-CD1 3.27Å; R113-F242 HydrophobicContact CB-CD2 4.03Å; R113-F242 HydrophobicContact CB-CE2 3.7Å; R113-F242 HydrophobicContact CB-CZ 4.13Å; R113-F242 HydrophobicContact CG-CD1 4.25Å; R113-F242 HydrophobicContact CG-CD2 3.95Å; R113-F242 HydrophobicContact CG-CE1 4.17Å; R113-F242 HydrophobicContact CG-CE2 3.83Å; R113-F242 HydrophobicContact CG-CG 4.15Å; R113-F242 HydrophobicContact CG-CZ 3.93Å; L119-F242 HydrophobicContact CD1-CE1 4.5Å; L119-F242 HydrophobicContact CD1-CZ 4.19Å; L119-F242 HydrophobicContact CD2-CE1 4.15Å; L119-F242 HydrophobicContact CD2-CZ 3.73Å; H239-F242 PolarHBondContact O-N 3.5Å; N240-F242 VanDerWaalsContact C-N 3.32Å; N240-F242 PolarHBondContact O-N 3.16Å; F242-R244 VanDerWaalsContact C-N 3.26Å; F242-R244 PolarHBondContact O-N 3.43Å; F242-K245 WeakPolarHBondContact O-CB 3.39Å; F242-K245 PolarHBondContact O-N 3.08Å; F242-K245 VanDerWaalsContact O-N 3.11Å; F242-L246 HydrophobicContact CD1-CB 4.43Å; F242-L246 HydrophobicContact CE1-CB 4.33Å; F242-L246 PolarHBondContact O-N 2.65Å
243Y93.4Very high91.6Very high0 Ų047.2 Ų47.20%024%0.238CC..Hα-helixtrans-60.1-34.4176.4-67.2-19.5000112.4F80 H108 E109 R113 H239 N240 L246 F247F80-Y243 WeakPolarHBondContact CE2-O 3.48Å; F80-Y243 WeakPolarHBondContact CZ-O 3.34Å; H108-Y243 HydrophobicContact CB-CE1 4.31Å; H108-Y243 AromaticContact CD2-CE1 3.28Å; H108-Y243 WeakPolarHBondContact CD2-CE1 3.2Å; H108-Y243 AromaticContact CD2-CZ 3.59Å; H108-Y243 AromaticContact CG-CE1 3.78Å; H108-Y243 AromaticContact NE2-CE1 3.77Å; E109-Y243 PolarHBondContact OE1-OH 3.27Å; R113-Y243 VanDerWaalsContact NH2-CE1 3.29Å; H239-Y243 HydrophobicContact CB-CD2 3.84Å; H239-Y243 HydrophobicContact CB-CE1 4.19Å; H239-Y243 HydrophobicContact CB-CE2 3.37Å; H239-Y243 HydrophobicContact CB-CG 4.42Å; H239-Y243 PolarHBondContact O-N 3.34Å; N240-Y243 PolarHBondContact O-N 3.28Å; Y243-L246 PolarHBondContact O-N 2.89Å; Y243-F247 WeakPolarHBondContact O-CB 3.4Å; Y243-F247 PolarHBondContact O-N 3.5Å
244R91.3Very high91.3Very high50 Ų5052 Ų5219%0.18926%0.259CS..Hα-helixtrans-61.3-47.8172.2-70.9-178.1-174.499.42.3111.9E198 I200 I203 N240 N241 F242 L246 F247 L248E198-R244 PolarHBondContact O-NH2 2.79Å; I200-R244 HydrophobicContact CD1-CG 4.23Å; I203-R244 HydrophobicContact CD1-CB 4.32Å; I203-R244 HydrophobicContact CD1-CG 3.72Å; N240-R244 WeakPolarHBondContact O-CG 3.24Å; N240-R244 PolarHBondContact O-N 3.25Å; N241-R244 PolarHBondContact OD1-NH1 2.86Å; N241-R244 VanDerWaalsContact OD1-NH1 3.07Å; F242-R244 VanDerWaalsContact C-N 3.26Å; F242-R244 PolarHBondContact O-N 3.43Å; R244-L246 PolarHBondContact O-N 2.99Å; R244-F247 PolarHBondContact O-N 2.81Å; R244-L248 WeakPolarHBondContact O-CG 3.3Å; R244-L248 PolarHBondContact O-N 3.31Å
245K90.9Very high91.2Very high137 Ų13749.8 Ų49.860%0.59625%0.247SC*.Hα-helixtrans-59.6-48.2176.9-65.3-179.3179.6-174.40111.6L119 F242 F247 L248 E249L119-K245 HydrophobicContact CD1-CB 4.45Å; F242-K245 WeakPolarHBondContact O-CB 3.39Å; F242-K245 PolarHBondContact O-N 3.08Å; F242-K245 VanDerWaalsContact O-N 3.11Å; K245-F247 VanDerWaalsContact C-N 3.34Å; K245-F247 PolarHBondContact O-N 2.98Å; K245-L248 PolarHBondContact O-N 3.02Å; K245-E249 PolarHBondContact O-N 2.82Å
246L92.2Very high91Very high0 Ų052.5 Ų52.50%026%0.255CS..Hα-helixtrans-64.1-40178.817858.8000111.8F80 H108 L119 F242 Y243 R244 E249 I250F80-L246 HydrophobicContact CD2-CD2 4.48Å; F80-L246 HydrophobicContact CD2-CG 4.49Å; F80-L246 HydrophobicContact CE2-CB 4.44Å; F80-L246 HydrophobicContact CE2-CD2 4.46Å; F80-L246 HydrophobicContact CE2-CG 4.3Å; H108-L246 WeakPolarHBondContact CE1-CD2 3.46Å; L119-L246 HydrophobicContact CB-CD1 3.96Å; L119-L246 HydrophobicContact CD2-CD1 4.46Å; F242-L246 HydrophobicContact CD1-CB 4.43Å; F242-L246 HydrophobicContact CE1-CB 4.33Å; F242-L246 PolarHBondContact O-N 2.65Å; Y243-L246 PolarHBondContact O-N 2.89Å; R244-L246 PolarHBondContact O-N 2.99Å; L246-E249 PolarHBondContact O-N 3.17Å; L246-I250 HydrophobicContact CD1-CD1 3.95Å; L246-I250 HydrophobicContact CD1-CG1 4.16Å; L246-I250 HydrophobicContact CD2-CD1 4.46Å; L246-I250 HydrophobicContact CG-CD1 3.73Å; L246-I250 HydrophobicContact CG-CG1 4.42Å; L246-I250 WeakPolarHBondContact O-CD1 3.27Å; L246-I250 VanDerWaalsContact O-CG1 3.27Å; L246-I250 WeakPolarHBondContact O-CG1 3.38Å; L246-I250 PolarHBondContact O-N 2.91Å
247F91.9Very high91.1Very high14 Ų1453.8 Ų53.86%0.06126%0.26CS..Hα-helixtrans-59-50.5177.3-174.3-98.7000111.2F80 L188 I200 L202 I203 Y243 R244 K245 E249 I250 V251F80-F247 HydrophobicContact CD1-CD2 4.1Å; F80-F247 HydrophobicContact CE1-CB 4.37Å; F80-F247 AromaticContact CE1-CD2 3.69Å; F80-F247 HydrophobicContact CE1-CD2 3.69Å; F80-F247 HydrophobicContact CE1-CG 4.43Å; F80-F247 HydrophobicContact CE2-CB 3.8Å; F80-F247 HydrophobicContact CE2-CD2 4.17Å; F80-F247 HydrophobicContact CZ-CB 3.59Å; F80-F247 AromaticContact CZ-CD2 3.75Å; F80-F247 HydrophobicContact CZ-CD2 3.75Å; F80-F247 HydrophobicContact CZ-CG 4.11Å; L188-F247 HydrophobicContact CD1-CZ 3.73Å; L188-F247 HydrophobicContact CD2-CE1 3.85Å; L188-F247 HydrophobicContact CD2-CZ 3.5Å; L188-F247 HydrophobicContact CG-CZ 4.25Å; I200-F247 HydrophobicContact CD1-CB 4.29Å; I200-F247 HydrophobicContact CD1-CD1 3.55Å; I200-F247 HydrophobicContact CD1-CE1 4.17Å; I200-F247 HydrophobicContact CD1-CG 4.09Å; I200-F247 HydrophobicContact CG1-CD1 4.1Å; I200-F247 HydrophobicContact CG1-CE1 4.22Å; I200-F247 HydrophobicContact CG2-CD1 3.87Å; I200-F247 HydrophobicContact CG2-CD2 4.07Å; I200-F247 HydrophobicContact CG2-CE1 3.74Å; I200-F247 HydrophobicContact CG2-CE2 3.96Å; I200-F247 HydrophobicContact CG2-CG 4.03Å; I200-F247 HydrophobicContact CG2-CZ 3.79Å; L202-F247 HydrophobicContact CD1-CE2 4.25Å; I203-F247 HydrophobicContact CD1-CB 4.2Å; Y243-F247 WeakPolarHBondContact O-CB 3.4Å; Y243-F247 PolarHBondContact O-N 3.5Å; R244-F247 PolarHBondContact O-N 2.81Å; K245-F247 VanDerWaalsContact C-N 3.34Å; K245-F247 PolarHBondContact O-N 2.98Å; F247-E249 PolarHBondContact O-N 3.16Å; F247-I250 PolarHBondContact O-N 3.32Å; F247-I250 VanDerWaalsContact O-N 3.1Å; F247-V251 HydrophobicContact CD1-CG1 4.43Å; F247-V251 HydrophobicContact CD1-CG2 4.4Å; F247-V251 HydrophobicContact CE1-CG1 3.96Å; F247-V251 HydrophobicContact CE1-CG2 4.3Å; F247-V251 HydrophobicContact CE2-CG1 4.21Å; F247-V251 HydrophobicContact CZ-CG1 3.83Å; F247-V251 VanDerWaalsContact O-CG2 3.3Å; F247-V251 WeakPolarHBondContact O-CG2 3.26Å; F247-V251 PolarHBondContact O-N 2.88Å; F247-V251 VanDerWaalsContact O-N 3.09Å
248L89.3Confident91.2Very high76 Ų7650 Ų5040%0.39824%0.241SC..Hα-helixtrans-56.5-39.2177.9-70.4177.7000112V197 R244 K245 V251 S252V197-L248 HydrophobicContact CG1-CD1 3.97Å; V197-L248 HydrophobicContact CG1-CD2 4.28Å; V197-L248 HydrophobicContact CG1-CG 4.32Å; V197-L248 HydrophobicContact CG2-CD2 4.5Å; R244-L248 WeakPolarHBondContact O-CG 3.3Å; R244-L248 PolarHBondContact O-N 3.31Å; K245-L248 PolarHBondContact O-N 3.02Å; L248-V251 WeakPolarHBondContact O-CG2 3.31Å; L248-S252 PolarHBondContact O-N 3.37Å; L248-S252 VanDerWaalsContact O-N 3.13Å
249E90.7Very high91.4Very high53 Ų5345.7 Ų45.725%0.24821%0.213CC..Hα-helixtrans-69.5-40.1176.7-177.556.7-144.100112.5L119 S120 K245 L246 F247 V251 S252 S255L119-E249 HydrophobicContact CB-CB 4Å; L119-E249 HydrophobicContact CB-CG 3.76Å; L119-E249 WeakPolarHBondContact O-CG 3.39Å; S120-E249 VanDerWaalsContact CB-OE1 3.27Å; S120-E249 WeakPolarHBondContact CB-OE1 3.11Å; S120-E249 VanDerWaalsContact N-CG 3.34Å; K245-E249 PolarHBondContact O-N 2.82Å; L246-E249 PolarHBondContact O-N 3.17Å; F247-E249 PolarHBondContact O-N 3.16Å; E249-V251 VanDerWaalsContact C-N 3.29Å; E249-V251 PolarHBondContact O-N 3.23Å; E249-S252 VanDerWaalsContact O-CB 3.26Å; E249-S252 WeakPolarHBondContact O-CB 3.47Å; E249-S252 PolarHBondContact O-N 3.19Å; E249-S252 PolarHBondContact O-OG 3.14Å; E249-S252 PolarHBondContact OE1-OG 2.95Å; E249-S255 WeakPolarHBondContact O-CB 3.38Å; E249-S255 PolarHBondContact O-OG 3.39Å
250I89.2Confident91.6Very high16 Ų1647 Ų478%0.08222%0.219CC..Hα-helixtrans-64-36179.1-69158.1000111.6F80 I121 M149 L246 F247 S255 R256F80-I250 HydrophobicContact CD2-CD1 3.64Å; F80-I250 HydrophobicContact CE2-CD1 4.26Å; F80-I250 HydrophobicContact CG-CD1 4.48Å; I121-I250 HydrophobicContact CD1-CG1 4.5Å; M149-I250 HydrophobicContact CG-CD1 3.87Å; M149-I250 HydrophobicContact CG-CG1 4.43Å; M149-I250 HydrophobicContact SD-CD1 3.27Å; M149-I250 WeakPolarHBondContact SD-CD1 3.14Å; M149-I250 HydrophobicContact SD-CG1 4.26Å; L246-I250 HydrophobicContact CD1-CD1 3.95Å; L246-I250 HydrophobicContact CD1-CG1 4.16Å; L246-I250 HydrophobicContact CD2-CD1 4.46Å; L246-I250 HydrophobicContact CG-CD1 3.73Å; L246-I250 HydrophobicContact CG-CG1 4.42Å; L246-I250 WeakPolarHBondContact O-CD1 3.27Å; L246-I250 VanDerWaalsContact O-CG1 3.27Å; L246-I250 WeakPolarHBondContact O-CG1 3.38Å; L246-I250 PolarHBondContact O-N 2.91Å; F247-I250 PolarHBondContact O-N 3.32Å; F247-I250 VanDerWaalsContact O-N 3.1Å; I250-S255 CarbonylContact O-C 3.1Å; I250-S255 VanDerWaalsContact O-CB 3.26Å; I250-S255 WeakPolarHBondContact O-CB 3.03Å; I250-R256 WeakPolarHBondContact O-CA 3.13Å; I250-R256 PolarHBondContact O-N 3.1Å
251V87.6Confident91.8Very high22 Ų2252.2 Ų52.213%0.13324%0.243CC..THydrogen-bonded Turntrans-89.5-1.5179.9-57.30000113.5F247 L248 E249 R256F247-V251 HydrophobicContact CD1-CG1 4.43Å; F247-V251 HydrophobicContact CD1-CG2 4.4Å; F247-V251 HydrophobicContact CE1-CG1 3.96Å; F247-V251 HydrophobicContact CE1-CG2 4.3Å; F247-V251 HydrophobicContact CE2-CG1 4.21Å; F247-V251 HydrophobicContact CZ-CG1 3.83Å; F247-V251 VanDerWaalsContact O-CG2 3.3Å; F247-V251 WeakPolarHBondContact O-CG2 3.26Å; F247-V251 PolarHBondContact O-N 2.88Å; F247-V251 VanDerWaalsContact O-N 3.09Å; L248-V251 WeakPolarHBondContact O-CG2 3.31Å; E249-V251 VanDerWaalsContact C-N 3.29Å; E249-V251 PolarHBondContact O-N 3.23Å; V251-R256 PolarHBondContact O-NE 3.11Å
252S88.6Confident92.2Very high28 Ų2846.7 Ų46.720%0.19621%0.214CC..SBendtrans-64.3162.7176840000111.7L248 E249 K254 S255 R256L248-S252 PolarHBondContact O-N 3.37Å; L248-S252 VanDerWaalsContact O-N 3.13Å; E249-S252 VanDerWaalsContact O-CB 3.26Å; E249-S252 WeakPolarHBondContact O-CB 3.47Å; E249-S252 PolarHBondContact O-N 3.19Å; E249-S252 PolarHBondContact O-OG 3.14Å; E249-S252 PolarHBondContact OE1-OG 2.95Å; S252-K254 PolarHBondContact O-N 3.07Å; S252-K254 PolarHBondContact OG-N 3.43Å; S252-S255 PolarHBondContact O-N 3.26Å; S252-S255 VanDerWaalsContact O-N 3.15Å; S252-S255 PolarHBondContact OG-N 2.97Å; S252-R256 VanDerWaalsContact O-CB 3.24Å; S252-R256 WeakPolarHBondContact O-CB 3.42Å; S252-R256 VanDerWaalsContact O-CG 3.27Å; S252-R256 WeakPolarHBondContact O-CG 3.22Å; S252-R256 PolarHBondContact O-N 3.3Å; S252-R256 PolarHBondContact O-NE 2.93Å
253E85.9Confident92.4Very high151 Ų15146.2 Ų46.271%0.70621%0.212SC*.THydrogen-bonded Turntrans-55.6-36.5175.4-70.3-170.2163.100112.9S255 R256E253-S255 VanDerWaalsContact C-N 3.31Å; E253-S255 PolarHBondContact O-N 3.5Å; E253-R256 VanDerWaalsContact CG-CZ 3.4Å; E253-R256 IonicContact OE1-NH1 2.65Å; E253-R256 IonicContact OE1-NH2 3.84Å
254K88.6Confident92.6Very high101 Ų10150.2 Ų50.244%0.43923%0.233SC..THydrogen-bonded Turntrans-63.8-36.8-179.8-174.5-177.2173.7-166.60111.9D118 S120 S252D118-K254 IonicContact OD1-NZ 2.63Å; D118-K254 PolarHBondContact OD1-NZ 3.31Å; D118-K254 VanDerWaalsContact OD1-NZ 3.07Å; D118-K254 IonicContact OD2-NZ 3.5Å; D118-K254 PolarHBondContact OD2-NZ 2.79Å; S120-K254 VanDerWaalsContact CB-CE 3.48Å; S120-K254 WeakPolarHBondContact OG-CE 3.32Å; S120-K254 PolarHBondContact OG-NZ 3.49Å; S252-K254 PolarHBondContact O-N 3.07Å; S252-K254 PolarHBondContact OG-N 3.43Å
255S92.2Very high92.9Very high1 Ų152.3 Ų52.31%0.00724%0.244CC..THydrogen-bonded Turntrans-109.1-32.5-168.6-68.60000114.3S120 I121 Q152 E249 I250 S252 E253 Y257 S258S120-S255 WeakPolarHBondContact CA-OG 3.47Å; S120-S255 WeakPolarHBondContact CB-OG 3.26Å; I121-S255 PolarHBondContact N-OG 2.9Å; Q152-S255 PolarHBondContact NE2-O 3.06Å; E249-S255 WeakPolarHBondContact O-CB 3.38Å; E249-S255 PolarHBondContact O-OG 3.39Å; I250-S255 CarbonylContact O-C 3.1Å; I250-S255 VanDerWaalsContact O-CB 3.26Å; I250-S255 WeakPolarHBondContact O-CB 3.03Å; S252-S255 PolarHBondContact O-N 3.26Å; S252-S255 VanDerWaalsContact O-N 3.15Å; S252-S255 PolarHBondContact OG-N 2.97Å; E253-S255 VanDerWaalsContact C-N 3.31Å; E253-S255 PolarHBondContact O-N 3.5Å; S255-Y257 PolarHBondContact O-N 3.46Å; S255-S258 PolarHBondContact O-N 3.09Å; S255-S258 VanDerWaalsContact O-N 3.14Å; S255-S258 PolarHBondContact O-OG 2.87Å
256R90.4Very high93.2Very high78 Ų7846 Ų4629%0.29422%0.217SC..THydrogen-bonded Turntrans-59.7-25.5-163.468172.687.3130.5-8.6115.3G175 I250 V251 S252 E253G175-R256 CarbonylContact C-O 3.59Å; G175-R256 VanDerWaalsContact CA-O 3.23Å; G175-R256 WeakPolarHBondContact CA-O 3.36Å; I250-R256 WeakPolarHBondContact O-CA 3.13Å; I250-R256 PolarHBondContact O-N 3.1Å; V251-R256 PolarHBondContact O-NE 3.11Å; S252-R256 VanDerWaalsContact O-CB 3.24Å; S252-R256 WeakPolarHBondContact O-CB 3.42Å; S252-R256 VanDerWaalsContact O-CG 3.27Å; S252-R256 WeakPolarHBondContact O-CG 3.22Å; S252-R256 PolarHBondContact O-N 3.3Å; S252-R256 PolarHBondContact O-NE 2.93Å; E253-R256 VanDerWaalsContact CG-CZ 3.4Å; E253-R256 IonicContact OE1-NH1 2.65Å; E253-R256 IonicContact OE1-NH2 3.84Å
257Y94.8Very high93.4Very high52 Ų5253.3 Ų53.320%0.20425%0.248CC..THydrogen-bonded Turntrans-122.517.6-177.6-55.3-42.1000113.5G175 Q177 S255 L259 H260 Q261G175-Y257 CarbonylContact O-C 3.56Å; G175-Y257 VanDerWaalsContact O-CA 3.29Å; G175-Y257 WeakPolarHBondContact O-CA 3.47Å; Q177-Y257 HydrophobicContact CB-CD1 3.71Å; Q177-Y257 HydrophobicContact CB-CD2 4.43Å; Q177-Y257 HydrophobicContact CB-CE1 3.88Å; Q177-Y257 HydrophobicContact CB-CG 4.02Å; Q177-Y257 HydrophobicContact CG-CD1 4.34Å; Q177-Y257 HydrophobicContact CG-CE1 4.07Å; Q177-Y257 HydrophobicContact CG-CE2 4.27Å; S255-Y257 PolarHBondContact O-N 3.46Å; Y257-L259 VanDerWaalsContact C-N 3.27Å; Y257-L259 PolarHBondContact O-N 2.84Å; Y257-H260 WeakPolarHBondContact O-CB 3.48Å; Y257-H260 PolarHBondContact O-N 3.37Å; Y257-Q261 WeakPolarHBondContact O-CG 3.27Å; Y257-Q261 PolarHBondContact O-N 3.24Å
258S96.5Very high93.7Very high1 Ų153.2 Ų53.21%0.00725%0.249CC..THydrogen-bonded Turntrans-62.3-31.2-17362.50000113.7I121 Q152 S255 N262I121-S258 WeakPolarHBondContact CB-OG 3.28Å; I121-S258 WeakPolarHBondContact CG2-OG 3.43Å; Q152-S258 PolarHBondContact NE2-OG 3.33Å; S255-S258 PolarHBondContact O-N 3.09Å; S255-S258 VanDerWaalsContact O-N 3.14Å; S255-S258 PolarHBondContact O-OG 2.87Å; S258-N262 PolarHBondContact O-N 3.48Å; S258-N262 PolarHBondContact O-ND2 3.29Å
259L97.9Very high94.1Very high0 Ų050.9 Ų50.90%024%0.239CC..THydrogen-bonded Turntrans-70.1-43.7173.4178.759.1000110.9Q152 P173 A174 G175 L176 Y257 Q261 N262 M263 I266 L289Q152-L259 HydrophobicContact CG-CB 4.14Å; P173-L259 HydrophobicContact CB-CD2 3.73Å; P173-L259 HydrophobicContact CG-CD2 4.08Å; A174-L259 WeakPolarHBondContact O-CD2 3.36Å; G175-L259 WeakPolarHBondContact O-CB 3.47Å; G175-L259 PolarHBondContact O-N 3.19Å; L176-L259 HydrophobicContact CD2-CB 4.38Å; L176-L259 HydrophobicContact CD2-CD2 4.08Å; L176-L259 HydrophobicContact CD2-CG 4Å; L176-L259 HydrophobicContact CG-CD2 4.42Å; Y257-L259 VanDerWaalsContact C-N 3.27Å; Y257-L259 PolarHBondContact O-N 2.84Å; L259-Q261 PolarHBondContact O-N 3.24Å; L259-N262 CarbonylContact O-C 3.51Å; L259-N262 PolarHBondContact O-N 3.09Å; L259-M263 WeakPolarHBondContact O-CB 3Å; L259-M263 PolarHBondContact O-N 2.93Å; L259-I266 HydrophobicContact CD1-CD1 4.09Å; L259-L289 HydrophobicContact CD2-CD2 4.1Å; L259-L289 HydrophobicContact CG-CD2 4.24Å
260H97.1Very high94.5Very high53 Ų5348.4 Ų48.425%0.24523%0.227CC..THydrogen-bonded Turntrans-58-37.2176.7-161.390.2000112.4G175 L176 Y257 N262 M263G175-H260 PolarHBondContact O-N 3.13Å; L176-H260 HydrophobicContact CD2-CB 4.29Å; Y257-H260 WeakPolarHBondContact O-CB 3.48Å; Y257-H260 PolarHBondContact O-N 3.37Å; H260-N262 PolarHBondContact O-N 3.38Å; H260-M263 WeakPolarHBondContact O-CG 3.43Å
261Q97.1Very high94.9Very high112 Ų11247.9 Ų47.952%0.52322%0.224SC..THydrogen-bonded Turntrans-74.7-11.2179.2-68.1168.5-13.100114.1Y257 L259Y257-Q261 WeakPolarHBondContact O-CG 3.27Å; Y257-Q261 PolarHBondContact O-N 3.24Å; L259-Q261 PolarHBondContact O-N 3.24Å
262N98Very high95.5Very high5 Ų546.8 Ų46.83%0.02722%0.218CC..THydrogen-bonded Turntrans-128.7-4.3-174.8-68-72.5000114A159 Y160 S258 L259 H260 D264 K265A159-N262 HydrophobicContact CB-CB 3.89Å; Y160-N262 WeakPolarHBondContact CE1-OD1 3.32Å; S258-N262 PolarHBondContact O-N 3.48Å; S258-N262 PolarHBondContact O-ND2 3.29Å; L259-N262 CarbonylContact O-C 3.51Å; L259-N262 PolarHBondContact O-N 3.09Å; H260-N262 PolarHBondContact O-N 3.38Å; N262-D264 VanDerWaalsContact C-N 3.26Å; N262-D264 PolarHBondContact O-N 3.23Å; N262-K265 WeakPolarHBondContact O-CB 3.26Å; N262-K265 PolarHBondContact O-N 3.22Å; N262-K265 PolarHBondContact OD1-NZ 2.92Å
263M97Very high95.9Very high20 Ų2045.5 Ų45.510%0.09921%0.208CC..G310 helixtrans-61.5-31-175.751.9174.4-170.100113.4L176 L259 H260 K265 I266 L289 S292L176-M263 HydrophobicContact CD2-SD 4.39Å; L259-M263 WeakPolarHBondContact O-CB 3Å; L259-M263 PolarHBondContact O-N 2.93Å; H260-M263 WeakPolarHBondContact O-CG 3.43Å; M263-K265 VanDerWaalsContact C-N 3.26Å; M263-K265 PolarHBondContact O-N 2.76Å; M263-I266 WeakPolarHBondContact O-CB 3.46Å; M263-I266 PolarHBondContact O-N 3.48Å; M263-L289 HydrophobicContact CB-CD2 3.99Å; M263-L289 HydrophobicContact SD-CD2 4.23Å; M263-S292 VanDerWaalsContact CG-OG 3.27Å; M263-S292 WeakPolarHBondContact CG-OG 3.26Å
264D96.6Very high96.6Very high84 Ų8438.3 Ų38.345%0.44918%0.175SC..G310 helixtrans-69.6-22.7176.667-43.6000113.2N262 K267 S292N262-D264 VanDerWaalsContact C-N 3.26Å; N262-D264 PolarHBondContact O-N 3.23Å; D264-K267 PolarHBondContact O-NZ 2.82Å; D264-S292 WeakPolarHBondContact CA-OG 3.44Å; D264-S292 PolarHBondContact N-OG 2.98Å
265K97.9Very high97Very high95 Ų9533.5 Ų33.541%0.41315%0.154SC..G310 helixtrans-83.8-13.5176.9-59170.9-164.8164.60112.6A159 N262 M263 K267A159-K265 HydrophobicContact CB-CB 3.9Å; N262-K265 WeakPolarHBondContact O-CB 3.26Å; N262-K265 PolarHBondContact O-N 3.22Å; N262-K265 PolarHBondContact OD1-NZ 2.92Å; M263-K265 VanDerWaalsContact C-N 3.26Å; M263-K265 PolarHBondContact O-N 2.76Å; K265-K267 WeakPolarHBondContact O-CG 3.19Å; K265-K267 PolarHBondContact O-N 2.79Å
266I98.4Very high97.3Very high3 Ų337.5 Ų37.52%0.01517%0.171CC..  trans-71.5111.7178-58.4174.3000109A158 A159 L168 L259 M263 V268 I293A158-I266 HydrophobicContact CB-CG2 4.45Å; A159-I266 HydrophobicContact CB-CG1 4.11Å; L168-I266 HydrophobicContact CD2-CD1 4.14Å; L168-I266 HydrophobicContact CD2-CG2 3.98Å; L259-I266 HydrophobicContact CD1-CD1 4.09Å; M263-I266 WeakPolarHBondContact O-CB 3.46Å; M263-I266 PolarHBondContact O-N 3.48Å; I266-V268 HydrophobicContact CG2-CG2 4.01Å; I266-I293 HydrophobicContact CB-CD1 4.39Å; I266-I293 HydrophobicContact CB-CG1 4.29Å; I266-I293 HydrophobicContact CD1-CD1 3.93Å; I266-I293 HydrophobicContact CD1-CG1 4.5Å; I266-I293 HydrophobicContact CG2-CD1 4.38Å; I266-I293 HydrophobicContact CG2-CG2 4.25Å
267K95.9Very high97.5Very high154 Ų15436.5 Ų36.567%0.6717%0.17SC*.  trans-106-12.3-179.1-55.6-49-178.3-167.60114.4D264 K265D264-K267 PolarHBondContact O-NZ 2.82Å; K265-K267 WeakPolarHBondContact O-CG 3.19Å; K265-K267 PolarHBondContact O-N 2.79Å
268V97.1Very high97.6Very high12 Ų1234.6 Ų34.67%0.07316%0.163CC..SBendtrans-75.9151.3-178.3-60.80000111.1A158 P162 V165 L168 I266 T270A158-V268 HydrophobicContact CB-CG2 4.16Å; P162-V268 HydrophobicContact CB-CG1 4.47Å; V165-V268 HydrophobicContact CB-CG1 4.23Å; V165-V268 HydrophobicContact CG1-CB 4.47Å; V165-V268 HydrophobicContact CG1-CG1 4.37Å; V165-V268 HydrophobicContact CG1-CG2 4.04Å; V165-V268 WeakPolarHBondContact O-CG1 3.28Å; L168-V268 HydrophobicContact CB-CG2 3.87Å; I266-V268 HydrophobicContact CG2-CG2 4.01Å; V268-T270 PolarHBondContact O-N 2.64Å; V268-T270 PolarHBondContact O-OG1 3.36Å
269P98.3Very high97.5Very high28 Ų2838.5 Ų38.518%0.18218%0.181CC..  trans-51.9128.7170.9-23.932.9000110.5S167 L168 F323 V327S167-P269 WeakPolarHBondContact CA-O 3.27Å; L168-P269 PolarHBondContact N-O 3.41Å; P269-F323 HydrophobicContact CB-CE2 4.47Å; P269-F323 HydrophobicContact CB-CZ 4.16Å; P269-V327 HydrophobicContact CB-CG2 3.76Å; P269-V327 HydrophobicContact CG-CG1 4.26Å; P269-V327 HydrophobicContact CG-CG2 4.31Å
270T98.8Very high97.2Very high1 Ų138.7 Ų38.71%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-126.7135.7-172.7-600000112.1L168 L170 V268 I272 I293 N295 C296 Q297L168-T270 HydrophobicContact CB-CG2 4.27Å; L168-T270 HydrophobicContact CD2-CG2 4.05Å; L168-T270 HydrophobicContact CG-CG2 4.22Å; L168-T270 CarbonylContact O-C 3.59Å; L168-T270 VanDerWaalsContact O-CA 3.26Å; L168-T270 WeakPolarHBondContact O-CA 3.46Å; L170-T270 HydrophobicContact CD1-CG2 4.27Å; L170-T270 HydrophobicContact CG-CG2 4.4Å; V268-T270 PolarHBondContact O-N 2.64Å; V268-T270 PolarHBondContact O-OG1 3.36Å; T270-I272 HydrophobicContact CG2-CG1 4.33Å; T270-I293 HydrophobicContact CG2-CD1 4.07Å; T270-N295 PolarHBondContact N-O 3.3Å; T270-C296 CarbonylContact O-C 3.57Å; T270-C296 VanDerWaalsContact O-CA 3.22Å; T270-C296 WeakPolarHBondContact O-CA 3.48Å; T270-Q297 PolarHBondContact O-N 2.94Å
271Q98.7Very high97.1Very high4 Ų437 Ų372%0.01918%0.175CC..EExtended strand (participates in β ladder)trans-110.6133.1166.8176.9-179.662.200109.3L168 C169 L170 I273 Q297 L319 F323L168-Q271 PolarHBondContact O-N 2.62Å; C169-Q271 CarbonylContact C-O 3.57Å; C169-Q271 WeakPolarHBondContact CA-O 3.31Å; C169-Q271 PolarHBondContact SG-OE1 2.79Å; C169-Q271 VanDerWaalsContact SG-OE1 3.35Å; L170-Q271 PolarHBondContact N-O 3.44Å; Q271-I273 HydrophobicContact CG-CD1 4.44Å; Q271-I273 HydrophobicContact CG-CG1 3.95Å; Q271-Q297 CarbonylContact C-O 3.57Å; Q271-Q297 WeakPolarHBondContact CA-O 3.19Å; Q271-Q297 HydrophobicContact CB-CG 3.97Å; Q271-Q297 HydrophobicContact CG-CG 4.06Å; Q271-L319 PolarHBondContact NE2-O 2.84Å; Q271-L319 PolarHBondContact OE1-O 3.24Å; Q271-F323 HydrophobicContact CB-CD1 3.63Å; Q271-F323 HydrophobicContact CB-CD2 4.05Å; Q271-F323 HydrophobicContact CB-CE1 3.7Å; Q271-F323 HydrophobicContact CB-CE2 4.09Å; Q271-F323 HydrophobicContact CB-CG 3.8Å; Q271-F323 HydrophobicContact CB-CZ 3.92Å; Q271-F323 HydrophobicContact CG-CG 4.5Å
272I98.8Very high96.9Very high0 Ų034.1 Ų34.10%016%0.164CC..EExtended strand (participates in β ladder)trans-110.7126.5173.8-60.8154.7000107.6L170 T270 W274 A286 L289 A290 C296 Q297 V298 E299L170-I272 CarbonylContact O-C 3.46Å; L170-I272 WeakPolarHBondContact O-CA 3.27Å; T270-I272 HydrophobicContact CG2-CG1 4.33Å; I272-W274 HydrophobicContact CG2-CE3 3.99Å; I272-A286 HydrophobicContact CG2-CB 3.97Å; I272-L289 HydrophobicContact CD1-CB 3.49Å; I272-L289 VanDerWaalsContact CD1-CB 3.49Å; I272-L289 HydrophobicContact CD1-CD1 4.39Å; I272-L289 HydrophobicContact CG1-CB 4.31Å; I272-L289 HydrophobicContact CG1-CD1 4.36Å; I272-A290 HydrophobicContact CD1-CB 4.48Å; I272-C296 HydrophobicContact CD1-CB 4.32Å; I272-Q297 PolarHBondContact N-O 2.56Å; I272-V298 HydrophobicContact CB-CG2 4.28Å; I272-V298 HydrophobicContact CD1-CG2 4.01Å; I272-V298 HydrophobicContact CG2-CG1 4.47Å; I272-V298 CarbonylContact O-C 3.56Å; I272-V298 WeakPolarHBondContact O-CA 3.09Å; I272-E299 PolarHBondContact O-N 2.75Å
273I98.8Very high96.8Very high0 Ų036 Ų360%018%0.175CC..EExtended strand (participates in β ladder)trans-121.6126.1175.2-50.6176.5000107.8L170 V171 C172 Q271 E299 L301 V308 L319L170-I273 PolarHBondContact O-N 2.9Å; V171-I273 CarbonylContact C-O 3.58Å; V171-I273 WeakPolarHBondContact CA-O 3.31Å; V171-I273 HydrophobicContact CG1-CB 4.45Å; V171-I273 HydrophobicContact CG2-CB 4.41Å; V171-I273 HydrophobicContact CG2-CD1 4.33Å; C172-I273 PolarHBondContact N-O 3.23Å; Q271-I273 HydrophobicContact CG-CD1 4.44Å; Q271-I273 HydrophobicContact CG-CG1 3.95Å; I273-E299 WeakPolarHBondContact CA-O 3.12Å; I273-L301 HydrophobicContact CG2-CD1 3.83Å; I273-L301 HydrophobicContact CG2-CG 4.17Å; I273-V308 HydrophobicContact CG2-CG1 3.93Å; I273-L319 HydrophobicContact CD1-CB 3.89Å; I273-L319 HydrophobicContact CD1-CD1 3.86Å; I273-L319 HydrophobicContact CG1-CD1 4.28Å; I273-L319 HydrophobicContact CG2-CD1 4.07Å
274W98.7Very high96.7Very high0 Ų037 Ų370%018%0.184CC..EExtended strand (participates in β ladder)trans-137.6139.9-178.7-139.6-68.4000112.3C172 P173 L176 I272 D278 L281 V283 A286 L289 E299 L300 L301C172-W274 HydrophobicContact CB-CD2 4.38Å; C172-W274 VanDerWaalsContact SG-CD1 3.56Å; P173-W274 HydrophobicContact CG-CH2 3.99Å; P173-W274 HydrophobicContact CG-CZ3 3.67Å; P173-W274 WeakPolarHBondContact O-CH2 3.32Å; L176-W274 HydrophobicContact CD1-CH2 3.99Å; L176-W274 HydrophobicContact CD1-CZ3 4.35Å; I272-W274 HydrophobicContact CG2-CE3 3.99Å; W274-D278 PolarHBondContact NE1-OD2 3.46Å; W274-L281 HydrophobicContact CZ2-CB 3.83Å; W274-L281 HydrophobicContact CZ2-CD1 4.48Å; W274-L281 PolarHBondContact NE1-O 3.46Å; W274-V283 HydrophobicContact CB-CG2 4.36Å; W274-V283 HydrophobicContact CG-CG2 4.25Å; W274-A286 HydrophobicContact CB-CB 4.32Å; W274-A286 HydrophobicContact CD2-CB 4.34Å; W274-A286 HydrophobicContact CE3-CB 3.87Å; W274-L289 HydrophobicContact CZ3-CD1 4.08Å; W274-E299 PolarHBondContact N-O 2.8Å; W274-L300 HydrophobicContact CB-CD2 3.73Å; W274-L300 CarbonylContact O-C 2.99Å; W274-L300 WeakPolarHBondContact O-CA 3.49Å; W274-L301 PolarHBondContact O-N 2.82Å
275G98.3Very high96.6Very high0 Ų033 Ų330%016%0.162CC..EExtended strand (participates in β ladder)trans-79.5127.4168.900000111.4Q277 D278 C304G275-Q277 PolarHBondContact O-N 2.95Å; G275-Q277 VanDerWaalsContact O-N 3.16Å; G275-D278 VanDerWaalsContact O-CB 3.31Å; G275-D278 WeakPolarHBondContact O-CB 3.24Å; G275-D278 PolarHBondContact O-N 2.75Å; G275-D278 VanDerWaalsContact O-N 3.16Å; G275-C304 CarbonylContact C-O 3.53Å; G275-C304 WeakPolarHBondContact CA-O 3.39Å
276K97.2Very high96.6Very high85 Ų8528.5 Ų28.537%0.3714%0.143SC..THydrogen-bonded Turntrans-66.3-17.6-177.6-76-173.862.8-177.80114.5L300 L301 E302 C304K276-L300 HydrophobicContact CD-CB 4.07Å; K276-L300 HydrophobicContact CG-CB 3.84Å; K276-L301 PolarHBondContact N-O 2.89Å; K276-E302 VanDerWaalsContact CD-CD 3.48Å; K276-E302 HydrophobicContact CD-CG 4.43Å; K276-E302 VanDerWaalsContact CD-OE1 3.26Å; K276-E302 WeakPolarHBondContact CD-OE1 3.27Å; K276-E302 WeakPolarHBondContact CD-OE2 3.35Å; K276-E302 WeakPolarHBondContact CE-OE1 3.37Å; K276-E302 IonicContact NZ-OE1 3.99Å; K276-E302 PolarHBondContact NZ-OE1 3.1Å; K276-E302 IonicContact NZ-OE2 2.75Å; K276-E302 PolarHBondContact NZ-OE2 3.29Å; K276-C304 PolarHBondContact N-O 2.95Å
277Q96.3Very high96.5Very high57 Ų5732.4 Ų32.427%0.26616%0.164SC..THydrogen-bonded Turntrans-111.828.1178.2-6678.228.900111.5Y219 G275 Q279 C304Y219-Q277 HydrophobicContact CD2-CB 3.6Å; Y219-Q277 HydrophobicContact CD2-CG 3.62Å; Y219-Q277 HydrophobicContact CE2-CB 4.39Å; Y219-Q277 HydrophobicContact CE2-CG 3.9Å; Y219-Q277 HydrophobicContact CG-CB 4.38Å; G275-Q277 PolarHBondContact O-N 2.95Å; G275-Q277 VanDerWaalsContact O-N 3.16Å; Q277-Q279 PolarHBondContact O-N 2.99Å; Q277-C304 PolarHBondContact N-O 3.2Å; Q277-C304 PolarHBondContact OE1-O 2.92Å
278D96.1Very high96.5Very high13 Ų1326.9 Ų26.97%0.0714%0.141CC..  trans-62.1114171.3-170-18.5000110C172 W274 G275 V280 L281 H306C172-D278 WeakPolarHBondContact CB-OD2 3.33Å; C172-D278 PolarHBondContact SG-OD2 2.93Å; C172-D278 VanDerWaalsContact SG-OD2 3.34Å; W274-D278 PolarHBondContact NE1-OD2 3.46Å; G275-D278 VanDerWaalsContact O-CB 3.31Å; G275-D278 WeakPolarHBondContact O-CB 3.24Å; G275-D278 PolarHBondContact O-N 2.75Å; G275-D278 VanDerWaalsContact O-N 3.16Å; D278-V280 WeakPolarHBondContact OD1-CA 3.24Å; D278-V280 WeakPolarHBondContact OD1-CB 3.5Å; D278-V280 PolarHBondContact OD1-N 3.15Å; D278-L281 VanDerWaalsContact CB-O 3.26Å; D278-L281 WeakPolarHBondContact CB-O 3.32Å; D278-L281 PolarHBondContact OD1-N 3.48Å; D278-H306 VanDerWaalsContact OD1-CB 3.27Å; D278-H306 WeakPolarHBondContact OD1-CB 3.43Å; D278-H306 IonicContact OD1-CG 3.9Å; D278-H306 IonicContact OD1-ND1 3.56Å; D278-H306 PolarHBondContact OD1-ND1 3.41Å; D278-H306 WeakPolarHBondContact OD2-CA 3.49Å; D278-H306 IonicContact OD2-CE1 3.14Å; D278-H306 IonicContact OD2-CG 3.67Å; D278-H306 IonicContact OD2-ND1 3.79Å; D278-H306 PolarHBondContact OD2-ND1 3.07Å
279Q93.9Very high96.5Very high82 Ų8226.3 Ų26.338%0.38314%0.138SC..SBendtrans-95.4-7178.5-70.1166.986.200112.3F184 L216 Q277F184-Q279 WeakPolarHBondContact CB-O 3.13Å; L216-Q279 HydrophobicContact CD1-CB 4Å; Q277-Q279 PolarHBondContact O-N 2.99Å
280V93.1Very high96.4Very high4 Ų426.2 Ų26.22%0.02414%0.139CC..SBendtrans-88.6-52.1177-176.80000108.7N182 F184 L216 D278 H306N182-V280 PolarHBondContact ND2-O 2.93Å; F184-V280 HydrophobicContact CD1-CG1 3.99Å; F184-V280 VanDerWaalsContact CD1-O 3.27Å; F184-V280 WeakPolarHBondContact CD1-O 3.3Å; F184-V280 HydrophobicContact CE1-CG1 3.71Å; F184-V280 HydrophobicContact CZ-CG1 4.25Å; L216-V280 HydrophobicContact CD2-CG2 4.32Å; L216-V280 HydrophobicContact CG-CG2 3.94Å; D278-V280 WeakPolarHBondContact OD1-CA 3.24Å; D278-V280 WeakPolarHBondContact OD1-CB 3.5Å; D278-V280 PolarHBondContact OD1-N 3.15Å; V280-H306 HydrophobicContact CB-CB 4.09Å; V280-H306 HydrophobicContact CG2-CB 3.78Å
281L93.2Very high96.3Very high17 Ų1733.8 Ų33.89%0.08917%0.172CC..SBendtrans-125.6130.9-178.4-58.3-179000110.4C172 P173 A174 W274 D278C172-L281 WeakPolarHBondContact O-CD1 3.29Å; P173-L281 VanDerWaalsContact O-CD1 3.31Å; P173-L281 WeakPolarHBondContact O-CD1 3.37Å; A174-L281 HydrophobicContact CB-CD1 4.02Å; W274-L281 HydrophobicContact CZ2-CB 3.83Å; W274-L281 HydrophobicContact CZ2-CD1 4.48Å; W274-L281 PolarHBondContact NE1-O 3.46Å; D278-L281 VanDerWaalsContact CB-O 3.26Å; D278-L281 WeakPolarHBondContact CB-O 3.32Å; D278-L281 PolarHBondContact OD1-N 3.48Å
282D94.1Very high96.2Very high53 Ų5335.2 Ų35.228%0.28318%0.183SC..  trans-67.3136.6-174.5-169.8-91.2000112.2Y178 S284 G285Y178-D282 HydrophobicContact CD1-CB 3.81Å; Y178-D282 HydrophobicContact CE1-CB 3.93Å; Y178-D282 VanDerWaalsContact CE1-O 3.26Å; Y178-D282 WeakPolarHBondContact CE1-O 3.4Å; Y178-D282 HydrophobicContact CG-CB 4.39Å; D282-S284 PolarHBondContact O-N 3.16Å; D282-S284 VanDerWaalsContact O-N 3.14Å; D282-S284 WeakPolarHBondContact OD1-CB 3.41Å; D282-S284 PolarHBondContact OD1-N 3.16Å; D282-S284 PolarHBondContact OD1-OG 3.23Å; D282-G285 PolarHBondContact O-N 2.91Å
283V95.5Very high96.1Very high44 Ų4435.3 Ų35.327%0.26718%0.183SC..THydrogen-bonded Turntrans-63.3-20.5-176.369.30000113.2W274 G285 A286 L300W274-V283 HydrophobicContact CB-CG2 4.36Å; W274-V283 HydrophobicContact CG-CG2 4.25Å; V283-G285 PolarHBondContact O-N 2.82Å; V283-G285 VanDerWaalsContact O-N 3.08Å; V283-A286 WeakPolarHBondContact O-CB 3.48Å; V283-A286 PolarHBondContact O-N 3.23Å; V283-L300 HydrophobicContact CG2-CD1 4.44Å; V283-L300 HydrophobicContact CG2-CD2 3.86Å
284S94.8Very high95.8Very high40 Ų4040.5 Ų40.528%0.2823%0.226SC..Hα-helixtrans-58.4-19.6172.7630000113.3D282 A286 D287 M288D282-S284 PolarHBondContact O-N 3.16Å; D282-S284 VanDerWaalsContact O-N 3.14Å; D282-S284 WeakPolarHBondContact OD1-CB 3.41Å; D282-S284 PolarHBondContact OD1-N 3.16Å; D282-S284 PolarHBondContact OD1-OG 3.23Å; S284-A286 PolarHBondContact O-N 3.31Å; S284-D287 PolarHBondContact O-N 3.3Å; S284-D287 VanDerWaalsContact O-N 3.16Å; S284-M288 PolarHBondContact O-N 2.93Å; S284-M288 VanDerWaalsContact O-N 3.14Å
285G95.6Very high95.4Very high0 Ų044.7 Ų44.70%025%0.248CC..Hα-helixtrans-53.1-34.7170.100000113.8L176 D282 V283 L289L176-G285 VanDerWaalsContact CD1-CA 3.5Å; D282-G285 PolarHBondContact O-N 2.91Å; V283-G285 PolarHBondContact O-N 2.82Å; V283-G285 VanDerWaalsContact O-N 3.08Å; G285-L289 WeakPolarHBondContact O-CG 3.27Å; G285-L289 PolarHBondContact O-N 2.96Å; G285-L289 VanDerWaalsContact O-N 3.08Å
286A97.1Very high95.2Very high2 Ų246.6 Ų46.62%0.01726%0.261CS..Hα-helixtrans-65.9-42.2178.600000112.4I272 W274 V283 S284 A290 V298 L300I272-A286 HydrophobicContact CG2-CB 3.97Å; W274-A286 HydrophobicContact CB-CB 4.32Å; W274-A286 HydrophobicContact CD2-CB 4.34Å; W274-A286 HydrophobicContact CE3-CB 3.87Å; V283-A286 WeakPolarHBondContact O-CB 3.48Å; V283-A286 PolarHBondContact O-N 3.23Å; S284-A286 PolarHBondContact O-N 3.31Å; A286-A290 VanDerWaalsContact O-CB 3.3Å; A286-A290 WeakPolarHBondContact O-CB 3.46Å; A286-A290 PolarHBondContact O-N 3.29Å; A286-V298 HydrophobicContact CB-CG1 4Å; A286-L300 HydrophobicContact CB-CD2 3.77Å
287D95.8Very high95.2Very high84 Ų8446.3 Ų46.345%0.44926%0.261SS..Hα-helixtrans-70.1-39.3178.3179.160.2000111.7S284 L289 A290 K291S284-D287 PolarHBondContact O-N 3.3Å; S284-D287 VanDerWaalsContact O-N 3.16Å; D287-L289 PolarHBondContact O-N 3.26Å; D287-A290 PolarHBondContact O-N 2.95Å; D287-K291 WeakPolarHBondContact O-CG 3.46Å; D287-K291 PolarHBondContact O-N 2.84Å; D287-K291 VanDerWaalsContact OD1-CE 3.31Å; D287-K291 WeakPolarHBondContact OD1-CE 3.46Å; D287-K291 IonicContact OD1-NZ 3.07Å; D287-K291 WeakPolarHBondContact OD2-CE 3.12Å; D287-K291 IonicContact OD2-NZ 3.33Å; D287-K291 PolarHBondContact OD2-NZ 3.27Å
288M95.9Very high95.3Very high39 Ų3946.6 Ų46.619%0.19227%0.267CS..Hα-helixtrans-58.6-49.2174.2-75.5-172-88.800112.1Y178 S284 A290 K291 S292Y178-M288 HydrophobicContact CD1-CE 3.31Å; Y178-M288 HydrophobicContact CE1-CE 3.75Å; Y178-M288 HydrophobicContact CG-CE 4.08Å; S284-M288 PolarHBondContact O-N 2.93Å; S284-M288 VanDerWaalsContact O-N 3.14Å; M288-A290 VanDerWaalsContact C-N 3.32Å; M288-A290 PolarHBondContact O-N 3.3Å; M288-K291 PolarHBondContact O-N 2.77Å; M288-S292 PolarHBondContact O-N 3.5Å
289L97.6Very high95.4Very high0 Ų048.9 Ų48.90%028%0.277CS..Hα-helixtrans-63.1-40.8176.5-73.4170.7000111.5L170 P173 L176 L259 M263 I272 W274 G285 D287 K291 S292 I293L170-L289 HydrophobicContact CD1-CD1 4.07Å; L170-L289 HydrophobicContact CD1-CD2 4.47Å; P173-L289 HydrophobicContact CG-CD1 3.62Å; L176-L289 HydrophobicContact CD1-CD1 4.01Å; L176-L289 HydrophobicContact CD1-CG 3.95Å; L176-L289 HydrophobicContact CD2-CD2 3.95Å; L176-L289 HydrophobicContact CD2-CG 4.21Å; L259-L289 HydrophobicContact CD2-CD2 4.1Å; L259-L289 HydrophobicContact CG-CD2 4.24Å; M263-L289 HydrophobicContact CB-CD2 3.99Å; M263-L289 HydrophobicContact SD-CD2 4.23Å; I272-L289 HydrophobicContact CD1-CB 3.49Å; I272-L289 VanDerWaalsContact CD1-CB 3.49Å; I272-L289 HydrophobicContact CD1-CD1 4.39Å; I272-L289 HydrophobicContact CG1-CB 4.31Å; I272-L289 HydrophobicContact CG1-CD1 4.36Å; W274-L289 HydrophobicContact CZ3-CD1 4.08Å; G285-L289 WeakPolarHBondContact O-CG 3.27Å; G285-L289 PolarHBondContact O-N 2.96Å; G285-L289 VanDerWaalsContact O-N 3.08Å; D287-L289 PolarHBondContact O-N 3.26Å; L289-K291 VanDerWaalsContact C-N 3.32Å; L289-K291 PolarHBondContact O-N 3.46Å; L289-S292 PolarHBondContact O-N 3.49Å; L289-I293 HydrophobicContact CB-CD1 4.39Å; L289-I293 HydrophobicContact CD2-CD1 4.11Å; L289-I293 WeakPolarHBondContact O-CB 3.43Å; L289-I293 WeakPolarHBondContact O-CG1 3.26Å; L289-I293 PolarHBondContact O-N 2.9Å
290A96.9Very high95.6Very high26 Ų2648.6 Ų48.622%0.21528%0.278CS..Hα-helixtrans-64.1-37.1-179.200000113I272 A286 D287 M288 S292 C296 V298I272-A290 HydrophobicContact CD1-CB 4.48Å; A286-A290 VanDerWaalsContact O-CB 3.3Å; A286-A290 WeakPolarHBondContact O-CB 3.46Å; A286-A290 PolarHBondContact O-N 3.29Å; D287-A290 PolarHBondContact O-N 2.95Å; M288-A290 VanDerWaalsContact C-N 3.32Å; M288-A290 PolarHBondContact O-N 3.3Å; A290-S292 VanDerWaalsContact C-N 3.34Å; A290-C296 WeakPolarHBondContact CA-SG 3.47Å; A290-C296 PolarHBondContact O-SG 2.92Å; A290-V298 HydrophobicContact CB-CG2 3.65Å
291K96.3Very high95.9Very high159 Ų15949 Ų4969%0.69128%0.28SS*.Hα-helixtrans-70.7-28.9175.5-73.9169.5175.8167.20113.1D287 M288 L289D287-K291 WeakPolarHBondContact O-CG 3.46Å; D287-K291 PolarHBondContact O-N 2.84Å; D287-K291 VanDerWaalsContact OD1-CE 3.31Å; D287-K291 WeakPolarHBondContact OD1-CE 3.46Å; D287-K291 IonicContact OD1-NZ 3.07Å; D287-K291 WeakPolarHBondContact OD2-CE 3.12Å; D287-K291 IonicContact OD2-NZ 3.33Å; D287-K291 PolarHBondContact OD2-NZ 3.27Å; M288-K291 PolarHBondContact O-N 2.77Å; L289-K291 VanDerWaalsContact C-N 3.32Å; L289-K291 PolarHBondContact O-N 3.46Å
292S96.9Very high96.1Very high35 Ų3553 Ų5325%0.24530%0.298CS..Hα-helixtrans-90.8-33.6-176.5-170.40000113.6M263 D264 M288 L289 A290M263-S292 VanDerWaalsContact CG-OG 3.27Å; M263-S292 WeakPolarHBondContact CG-OG 3.26Å; D264-S292 WeakPolarHBondContact CA-OG 3.44Å; D264-S292 PolarHBondContact N-OG 2.98Å; M288-S292 PolarHBondContact O-N 3.5Å; L289-S292 PolarHBondContact O-N 3.49Å; A290-S292 VanDerWaalsContact C-N 3.34Å
293I97.1Very high96.2Very high1 Ų154 Ų541%0.00530%0.303CS..  trans-97.2111.5-176.5-56.1173.3000109.7I266 T270 L289 N295 C296I266-I293 HydrophobicContact CB-CD1 4.39Å; I266-I293 HydrophobicContact CB-CG1 4.29Å; I266-I293 HydrophobicContact CD1-CD1 3.93Å; I266-I293 HydrophobicContact CD1-CG1 4.5Å; I266-I293 HydrophobicContact CG2-CD1 4.38Å; I266-I293 HydrophobicContact CG2-CG2 4.25Å; T270-I293 HydrophobicContact CG2-CD1 4.07Å; L289-I293 HydrophobicContact CB-CD1 4.39Å; L289-I293 HydrophobicContact CD2-CD1 4.11Å; L289-I293 WeakPolarHBondContact O-CB 3.43Å; L289-I293 WeakPolarHBondContact O-CG1 3.26Å; L289-I293 PolarHBondContact O-N 2.9Å; I293-N295 VanDerWaalsContact C-N 3.35Å; I293-N295 PolarHBondContact O-N 2.85Å; I293-C296 HydrophobicContact CB-CB 4.2Å; I293-C296 HydrophobicContact CG2-CB 4.19Å; I293-C296 PolarHBondContact O-SG 3.14Å
294A90.6Very high96.3Very high109 Ų10951.9 Ų51.990%0.90129%0.291SS*.SBendtrans-61.1-34.6-171.700000115.2
295N90.3Very high96.4Very high88 Ų8850 Ų5047%0.47128%0.277SS..SBendtrans-114.174.6179.7-172.81.8000109.9T270 I293T270-N295 PolarHBondContact N-O 3.3Å; I293-N295 VanDerWaalsContact C-N 3.35Å; I293-N295 PolarHBondContact O-N 2.85Å
296C94.9Very high96.5Very high40 Ų4050.7 Ų50.727%0.2728%0.28SS..EExtended strand (participates in β ladder)trans-122.2148.4-178.170.40000112.6T270 I272 A290 I293T270-C296 CarbonylContact O-C 3.57Å; T270-C296 VanDerWaalsContact O-CA 3.22Å; T270-C296 WeakPolarHBondContact O-CA 3.48Å; I272-C296 HydrophobicContact CD1-CB 4.32Å; A290-C296 WeakPolarHBondContact CA-SG 3.47Å; A290-C296 PolarHBondContact O-SG 2.92Å; I293-C296 HydrophobicContact CB-CB 4.2Å; I293-C296 HydrophobicContact CG2-CB 4.19Å; I293-C296 PolarHBondContact O-SG 3.14Å
297Q97.2Very high96.4Very high79 Ų7951.9 Ų51.937%0.36929%0.289SS..EExtended strand (participates in β ladder)trans-123.8143.2162.661.6173.619.900109.4T270 Q271 I272 F323T270-Q297 PolarHBondContact O-N 2.94Å; Q271-Q297 CarbonylContact C-O 3.57Å; Q271-Q297 WeakPolarHBondContact CA-O 3.19Å; Q271-Q297 HydrophobicContact CB-CG 3.97Å; Q271-Q297 HydrophobicContact CG-CG 4.06Å; I272-Q297 PolarHBondContact N-O 2.56Å; Q297-F323 HydrophobicContact CG-CD2 4.24Å; Q297-F323 HydrophobicContact CG-CE2 4.28Å
298V98.4Very high96.5Very high63 Ų6347.9 Ų47.938%0.38227%0.268SS..EExtended strand (participates in β ladder)trans-120.1130.8-175.9-175.70000109.7I272 A286 A290 L300I272-V298 HydrophobicContact CB-CG2 4.28Å; I272-V298 HydrophobicContact CD1-CG2 4.01Å; I272-V298 HydrophobicContact CG2-CG1 4.47Å; I272-V298 CarbonylContact O-C 3.56Å; I272-V298 WeakPolarHBondContact O-CA 3.09Å; A286-V298 HydrophobicContact CB-CG1 4Å; A290-V298 HydrophobicContact CB-CG2 3.65Å; V298-L300 HydrophobicContact CG1-CD2 3.93Å; V298-L300 HydrophobicContact CG1-CG 4.14Å
299E98.6Very high96.6Very high61 Ų6146.1 Ų46.129%0.28526%0.259SS..EExtended strand (participates in β ladder)trans-119.7115.9168.8-176.786.8175.700109.4I272 I273 W274 L301 K315 L319I272-E299 PolarHBondContact O-N 2.75Å; I273-E299 WeakPolarHBondContact CA-O 3.12Å; W274-E299 PolarHBondContact N-O 2.8Å; E299-L301 HydrophobicContact CG-CD2 3.61Å; E299-L301 HydrophobicContact CG-CG 4.4Å; E299-K315 WeakPolarHBondContact OE1-CE 3.32Å; E299-K315 IonicContact OE1-NZ 3.23Å; E299-K315 PolarHBondContact OE1-NZ 3.31Å; E299-L319 HydrophobicContact CB-CD1 4.3Å; E299-L319 HydrophobicContact CB-CD2 4.26Å; E299-L319 HydrophobicContact CG-CD1 3.79Å; E299-L319 HydrophobicContact CG-CD2 3.9Å
300L98.5Very high96.4Very high77 Ų7750.9 Ų50.940%0.40328%0.282SS..EExtended strand (participates in β ladder)trans-98.3123.1171.6-58.5-175.5000109.6W274 K276 V283 A286 V298W274-L300 HydrophobicContact CB-CD2 3.73Å; W274-L300 CarbonylContact O-C 2.99Å; W274-L300 WeakPolarHBondContact O-CA 3.49Å; K276-L300 HydrophobicContact CD-CB 4.07Å; K276-L300 HydrophobicContact CG-CB 3.84Å; V283-L300 HydrophobicContact CG2-CD1 4.44Å; V283-L300 HydrophobicContact CG2-CD2 3.86Å; A286-L300 HydrophobicContact CB-CD2 3.77Å; V298-L300 HydrophobicContact CG1-CD2 3.93Å; V298-L300 HydrophobicContact CG1-CG 4.14Å
301L98.3Very high96.4Very high12 Ų1250.5 Ų50.56%0.06328%0.276CS..EExtended strand (participates in β ladder)trans-97.8117.9-175.8-58.9-177.4000110.8I273 W274 K276 E299 C304 V308 R312 K315 L319I273-L301 HydrophobicContact CG2-CD1 3.83Å; I273-L301 HydrophobicContact CG2-CG 4.17Å; W274-L301 PolarHBondContact O-N 2.82Å; K276-L301 PolarHBondContact N-O 2.89Å; E299-L301 HydrophobicContact CG-CD2 3.61Å; E299-L301 HydrophobicContact CG-CG 4.4Å; L301-C304 HydrophobicContact CB-CB 3.77Å; L301-C304 WeakPolarHBondContact O-CB 3.36Å; L301-V308 HydrophobicContact CD1-CG1 3.64Å; L301-R312 HydrophobicContact CD1-CB 4.23Å; L301-R312 HydrophobicContact CD1-CG 4.32Å; L301-K315 HydrophobicContact CD2-CG 4.08Å; L301-L319 HydrophobicContact CD2-CD1 4.31Å
302E97.4Very high96.4Very high101 Ų10146.3 Ų46.347%0.47226%0.256SS..THydrogen-bonded Turntrans-65.2147.6171.3-62.4-65.617000111.8K276 C304K276-E302 VanDerWaalsContact CD-CD 3.48Å; K276-E302 HydrophobicContact CD-CG 4.43Å; K276-E302 VanDerWaalsContact CD-OE1 3.26Å; K276-E302 WeakPolarHBondContact CD-OE1 3.27Å; K276-E302 WeakPolarHBondContact CD-OE2 3.35Å; K276-E302 WeakPolarHBondContact CE-OE1 3.37Å; K276-E302 IonicContact NZ-OE1 3.99Å; K276-E302 PolarHBondContact NZ-OE1 3.1Å; K276-E302 IonicContact NZ-OE2 2.75Å; K276-E302 PolarHBondContact NZ-OE2 3.29Å; E302-C304 PolarHBondContact O-N 3.05Å
303N96.6Very high96.4Very high74 Ų7446 Ų4640%0.39625%0.253SS..THydrogen-bonded Turntrans5637.2177.8-58.5-37.5000112.4Y219 R312Y219-N303 HydrophobicContact CD1-CB 3.77Å; Y219-N303 WeakPolarHBondContact CD1-O 3.46Å; Y219-N303 HydrophobicContact CE1-CB 3.44Å; Y219-N303 VanDerWaalsContact CE1-CB 3.44Å; Y219-N303 HydrophobicContact CG-CB 4.48Å; Y219-N303 PolarHBondContact OH-OD1 2.87Å; N303-R312 PolarHBondContact O-NH2 2.96Å
304C97.8Very high96.5Very high0 Ų054.9 Ų54.90%029%0.287CS..  trans-136.6131.9-174-166.80000109.5G275 K276 Q277 L301 E302 R312G275-C304 CarbonylContact C-O 3.53Å; G275-C304 WeakPolarHBondContact CA-O 3.39Å; K276-C304 PolarHBondContact N-O 2.95Å; Q277-C304 PolarHBondContact N-O 3.2Å; Q277-C304 PolarHBondContact OE1-O 2.92Å; L301-C304 HydrophobicContact CB-CB 3.77Å; L301-C304 WeakPolarHBondContact O-CB 3.36Å; E302-C304 PolarHBondContact O-N 3.05Å; C304-R312 HydrophobicContact CB-CG 4.34Å
305G97Very high96.9Very high0 Ų053.7 Ų53.70%026%0.261CS..  trans-93.6-153.6175.600000112.2S307 E311G305-S307 PolarHBondContact O-N 2.86Å; G305-E311 VanDerWaalsContact CA-OE1 3.27Å; G305-E311 WeakPolarHBondContact CA-OE1 3.4Å; G305-E311 PolarHBondContact N-OE1 3.19Å
306H97.4Very high97.3Very high14 Ų1449.5 Ų49.57%0.06524%0.238CC..SBendtrans-64-37.7-177.7-166.657.9000113.2S148 C217 D278 V280 V308S148-H306 VanDerWaalsContact CB-NE2 3.27Å; S148-H306 WeakPolarHBondContact CB-NE2 3.21Å; S148-H306 PolarHBondContact OG-CE1 3.18Å; S148-H306 PolarHBondContact OG-NE2 3.44Å; C217-H306 HydrophobicContact CB-CB 4.42Å; C217-H306 WeakPolarHBondContact O-CA 3.49Å; C217-H306 WeakPolarHBondContact O-CB 3.3Å; C217-H306 PolarHBondContact O-N 2.98Å; D278-H306 VanDerWaalsContact OD1-CB 3.27Å; D278-H306 WeakPolarHBondContact OD1-CB 3.43Å; D278-H306 IonicContact OD1-CG 3.9Å; D278-H306 IonicContact OD1-ND1 3.56Å; D278-H306 PolarHBondContact OD1-ND1 3.41Å; D278-H306 WeakPolarHBondContact OD2-CA 3.49Å; D278-H306 IonicContact OD2-CE1 3.14Å; D278-H306 IonicContact OD2-CG 3.67Å; D278-H306 IonicContact OD2-ND1 3.79Å; D278-H306 PolarHBondContact OD2-ND1 3.07Å; V280-H306 HydrophobicContact CB-CB 4.09Å; V280-H306 HydrophobicContact CG2-CB 3.78Å; H306-V308 PolarHBondContact O-N 3.49Å
307S95.8Very high97.4Very high28 Ų2847.7 Ų47.720%0.19623%0.226CC..  trans-83.551.4-173.7-62.80000112.6C217 G305 V309 M310 E311C217-S307 WeakPolarHBondContact CB-OG 3.25Å; C217-S307 PolarHBondContact O-N 3.38Å; C217-S307 PolarHBondContact O-OG 3.16Å; G305-S307 PolarHBondContact O-N 2.86Å; S307-V309 PolarHBondContact O-N 2.88Å; S307-V309 VanDerWaalsContact O-N 3.13Å; S307-M310 WeakPolarHBondContact O-CA 3.36Å; S307-M310 PolarHBondContact O-N 3.32Å; S307-E311 PolarHBondContact O-N 3.43Å
308V97.8Very high97.5Very high0 Ų049.4 Ų49.40%023%0.233CC..Hα-helixtrans-49-44.4-176.6171.40000112.4V171 I273 L301 H306 M310 E311 R312 T316V171-V308 HydrophobicContact CG1-CB 3.63Å; V171-V308 HydrophobicContact CG1-CG1 3.85Å; V171-V308 HydrophobicContact CG1-CG2 4.12Å; I273-V308 HydrophobicContact CG2-CG1 3.93Å; L301-V308 HydrophobicContact CD1-CG1 3.64Å; H306-V308 PolarHBondContact O-N 3.49Å; V308-M310 PolarHBondContact O-N 2.94Å; V308-E311 PolarHBondContact O-N 3.16Å; V308-R312 WeakPolarHBondContact O-CA 3.4Å; V308-R312 PolarHBondContact O-N 2.81Å; V308-T316 WeakPolarHBondContact CG1-OG1 3.39Å
309V96.5Very high97.5Very high1 Ų147 Ų471%0.00622%0.218CC..Hα-helixtrans-63.9-25.7-179.2-57.50000113.1M86 W87 S89 V90 V171 S307 P313 T316M86-V309 HydrophobicContact CE-CG2 4.03Å; M86-V309 HydrophobicContact CG-CG2 3.91Å; M86-V309 HydrophobicContact SD-CG2 3.86Å; W87-V309 HydrophobicContact CE3-CG1 4.29Å; W87-V309 HydrophobicContact CH2-CG1 3.97Å; W87-V309 HydrophobicContact CZ3-CB 4.42Å; W87-V309 HydrophobicContact CZ3-CG1 3.56Å; S89-V309 PolarHBondContact OG-O 3.35Å; V90-V309 HydrophobicContact CG2-CB 3.82Å; V90-V309 HydrophobicContact CG2-CG1 4.28Å; V171-V309 HydrophobicContact CG1-CG1 4.32Å; S307-V309 PolarHBondContact O-N 2.88Å; S307-V309 VanDerWaalsContact O-N 3.13Å; V309-P313 WeakPolarHBondContact O-CA 3.33Å; V309-P313 WeakPolarHBondContact O-CB 3.41Å; V309-T316 HydrophobicContact CG1-CG2 4.29Å
310M94.7Very high97.5Very high100 Ų10044.1 Ų44.149%0.49320%0.204SC..Hα-helixtrans-95-37.7178.7-62.2-57.5-70.900112M86 S307 V308 P313M86-M310 HydrophobicContact CG-CG 4.43Å; M86-M310 HydrophobicContact CG-SD 4.03Å; S307-M310 WeakPolarHBondContact O-CA 3.36Å; S307-M310 PolarHBondContact O-N 3.32Å; V308-M310 PolarHBondContact O-N 2.94Å; M310-P313 WeakPolarHBondContact O-CD 3.42Å
311E95.8Very high97.5Very high18 Ų1842.7 Ų42.78%0.08420%0.196CC..Hα-helixtrans-80.4-30.5-177.9-68.5-165.2-93.700113.4S218 Y219 V220 G305 S307 V308 P313S218-E311 VanDerWaalsContact CA-OE1 3.31Å; S218-E311 WeakPolarHBondContact CA-OE1 3.35Å; Y219-E311 VanDerWaalsContact N-CD 3.33Å; Y219-E311 PolarHBondContact N-OE1 3.14Å; Y219-E311 VanDerWaalsContact N-OE1 3.15Å; Y219-E311 PolarHBondContact N-OE2 3.17Å; V220-E311 PolarHBondContact N-OE2 2.84Å; G305-E311 VanDerWaalsContact CA-OE1 3.27Å; G305-E311 WeakPolarHBondContact CA-OE1 3.4Å; G305-E311 PolarHBondContact N-OE1 3.19Å; S307-E311 PolarHBondContact O-N 3.43Å; V308-E311 PolarHBondContact O-N 3.16Å; E311-P313 VanDerWaalsContact C-CD 3.44Å
312R97.3Very high97.4Very high72 Ų7245.7 Ų45.727%0.27221%0.212SC..SBendtrans-133.342.5-175.2-64.4-63-174.6-83.3-4.6113.2L301 N303 C304 V308 R314 K315 T316L301-R312 HydrophobicContact CD1-CB 4.23Å; L301-R312 HydrophobicContact CD1-CG 4.32Å; N303-R312 PolarHBondContact O-NH2 2.96Å; C304-R312 HydrophobicContact CB-CG 4.34Å; V308-R312 WeakPolarHBondContact O-CA 3.4Å; V308-R312 PolarHBondContact O-N 2.81Å; R312-R314 VanDerWaalsContact C-N 3.33Å; R312-R314 PolarHBondContact O-N 3.38Å; R312-R314 VanDerWaalsContact O-N 3.12Å; R312-K315 HydrophobicContact CB-CB 4.29Å; R312-K315 PolarHBondContact O-N 2.89Å; R312-T316 PolarHBondContact O-N 2.96Å; R312-T316 PolarHBondContact O-OG1 3.39Å; R312-T316 VanDerWaalsContact O-OG1 3.06Å
313P97.4Very high97.4Very high28 Ų2841.1 Ų41.118%0.18219%0.191CC..Hα-helixtrans-56.2-40.9-168.920.2-33000114.1S89 V90 F93 V309 M310 E311 A317S89-P313 VanDerWaalsContact O-CB 3.3Å; S89-P313 WeakPolarHBondContact O-CB 3.22Å; V90-P313 HydrophobicContact CG2-CB 4.41Å; F93-P313 HydrophobicContact CD2-CB 4.17Å; F93-P313 HydrophobicContact CE2-CB 3.9Å; F93-P313 HydrophobicContact CE2-CG 4.09Å; V309-P313 WeakPolarHBondContact O-CA 3.33Å; V309-P313 WeakPolarHBondContact O-CB 3.41Å; M310-P313 WeakPolarHBondContact O-CD 3.42Å; E311-P313 VanDerWaalsContact C-CD 3.44Å; P313-A317 WeakPolarHBondContact O-CB 3.34Å; P313-A317 PolarHBondContact O-N 3.22Å
314R98.3Very high97.3Very high188 Ų18838.5 Ų38.571%0.70918%0.177SC*.Hα-helixtrans-67.4-41.3178.5-173.4178.7-179.5178.50.5112.2F93 R312 K318F93-R314 HydrophobicContact CD1-CB 4.09Å; F93-R314 HydrophobicContact CD1-CG 3.9Å; F93-R314 HydrophobicContact CD2-CB 4.12Å; F93-R314 HydrophobicContact CE1-CB 4.07Å; F93-R314 HydrophobicContact CE1-CG 4.11Å; F93-R314 HydrophobicContact CE2-CB 4.11Å; F93-R314 HydrophobicContact CG-CB 4.11Å; F93-R314 HydrophobicContact CG-CG 4.21Å; F93-R314 HydrophobicContact CZ-CB 4.07Å; R312-R314 VanDerWaalsContact C-N 3.33Å; R312-R314 PolarHBondContact O-N 3.38Å; R312-R314 VanDerWaalsContact O-N 3.12Å; R314-K318 WeakPolarHBondContact O-CB 3.39Å; R314-K318 PolarHBondContact O-N 3.21Å
315K98.4Very high97.1Very high83 Ų8340.8 Ų40.836%0.36120%0.196SC..Hα-helixtrans-69.6-42.8177.417570.8176.3-177.70109.9E299 L301 R312 A317 K318 L319E299-K315 WeakPolarHBondContact OE1-CE 3.32Å; E299-K315 IonicContact OE1-NZ 3.23Å; E299-K315 PolarHBondContact OE1-NZ 3.31Å; L301-K315 HydrophobicContact CD2-CG 4.08Å; R312-K315 HydrophobicContact CB-CB 4.29Å; R312-K315 PolarHBondContact O-N 2.89Å; K315-A317 PolarHBondContact O-N 3.48Å; K315-K318 PolarHBondContact O-N 2.83Å; K315-L319 HydrophobicContact CD-CD1 4.36Å; K315-L319 HydrophobicContact CD-CG 4.33Å; K315-L319 HydrophobicContact CG-CD1 4.06Å; K315-L319 HydrophobicContact CG-CG 4.45Å; K315-L319 VanDerWaalsContact O-CG 3.29Å; K315-L319 WeakPolarHBondContact O-CG 3.33Å; K315-L319 PolarHBondContact O-N 3.31Å
316T98.4Very high96.9Very high0 Ų043 Ų430%021%0.212CC..Hα-helixtrans-57.8-48.5173.4-52.10000111.8V90 V308 V309 R312 K318 L319 I320V90-T316 HydrophobicContact CG1-CG2 4.49Å; V90-T316 HydrophobicContact CG2-CG2 4.25Å; V308-T316 WeakPolarHBondContact CG1-OG1 3.39Å; V309-T316 HydrophobicContact CG1-CG2 4.29Å; R312-T316 PolarHBondContact O-N 2.96Å; R312-T316 PolarHBondContact O-OG1 3.39Å; R312-T316 VanDerWaalsContact O-OG1 3.06Å; T316-K318 VanDerWaalsContact C-N 3.31Å; T316-K318 PolarHBondContact O-N 3.35Å; T316-L319 PolarHBondContact O-N 2.92Å; T316-I320 HydrophobicContact CG2-CD1 4.02Å; T316-I320 WeakPolarHBondContact O-CG1 3.48Å; T316-I320 PolarHBondContact O-N 3.08Å
317A98.6Very high96.7Very high2 Ų242.7 Ų42.72%0.01721%0.21CC..Hα-helixtrans-59.1-43176.600000112.1V90 F93 L94 P313 K315 I320 I321V90-A317 HydrophobicContact CG1-CB 3.89Å; F93-A317 HydrophobicContact CB-CB 3.49Å; F93-A317 VanDerWaalsContact CB-CB 3.49Å; L94-A317 HydrophobicContact CD2-CB 3.84Å; L94-A317 HydrophobicContact CG-CB 4.37Å; P313-A317 WeakPolarHBondContact O-CB 3.34Å; P313-A317 PolarHBondContact O-N 3.22Å; K315-A317 PolarHBondContact O-N 3.48Å; A317-I320 PolarHBondContact O-N 2.9Å; A317-I321 VanDerWaalsContact O-CG1 3.31Å; A317-I321 WeakPolarHBondContact O-CG1 3.47Å; A317-I321 PolarHBondContact O-N 3.15Å
318K98.6Very high96.1Very high116 Ų11646.1 Ų46.150%0.50422%0.223SC..Hα-helixtrans-61.1-49.1175.5175.6166.8173.250.40111.8R314 K315 T316 I320 I321 D322R314-K318 WeakPolarHBondContact O-CB 3.39Å; R314-K318 PolarHBondContact O-N 3.21Å; K315-K318 PolarHBondContact O-N 2.83Å; T316-K318 VanDerWaalsContact C-N 3.31Å; T316-K318 PolarHBondContact O-N 3.35Å; K318-I320 VanDerWaalsContact C-N 3.3Å; K318-I320 PolarHBondContact O-N 3.27Å; K318-I321 PolarHBondContact O-N 2.89Å; K318-D322 VanDerWaalsContact CE-OD2 3.3Å; K318-D322 WeakPolarHBondContact CE-OD2 3.44Å; K318-D322 VanDerWaalsContact CG-OD2 3.25Å; K318-D322 WeakPolarHBondContact CG-OD2 3.46Å; K318-D322 VanDerWaalsContact NZ-CG 3.33Å; K318-D322 IonicContact NZ-OD1 3.14Å; K318-D322 PolarHBondContact NZ-OD1 3.31Å; K318-D322 VanDerWaalsContact NZ-OD1 3.14Å; K318-D322 IonicContact NZ-OD2 2.67Å; K318-D322 PolarHBondContact NZ-OD2 3.26Å; K318-D322 WeakPolarHBondContact O-CB 3.48Å; K318-D322 PolarHBondContact O-N 2.89Å
319L98.6Very high95.3Very high12 Ų1250.6 Ų50.66%0.06325%0.247CC..Hα-helixtrans-59.1-41.7179.6-72.3167.6000112.2Q271 I273 E299 L301 K315 T316 F323Q271-L319 PolarHBondContact NE2-O 2.84Å; Q271-L319 PolarHBondContact OE1-O 3.24Å; I273-L319 HydrophobicContact CD1-CB 3.89Å; I273-L319 HydrophobicContact CD1-CD1 3.86Å; I273-L319 HydrophobicContact CG1-CD1 4.28Å; I273-L319 HydrophobicContact CG2-CD1 4.07Å; E299-L319 HydrophobicContact CB-CD1 4.3Å; E299-L319 HydrophobicContact CB-CD2 4.26Å; E299-L319 HydrophobicContact CG-CD1 3.79Å; E299-L319 HydrophobicContact CG-CD2 3.9Å; L301-L319 HydrophobicContact CD2-CD1 4.31Å; K315-L319 HydrophobicContact CD-CD1 4.36Å; K315-L319 HydrophobicContact CD-CG 4.33Å; K315-L319 HydrophobicContact CG-CD1 4.06Å; K315-L319 HydrophobicContact CG-CG 4.45Å; K315-L319 VanDerWaalsContact O-CG 3.29Å; K315-L319 WeakPolarHBondContact O-CG 3.33Å; K315-L319 PolarHBondContact O-N 3.31Å; T316-L319 PolarHBondContact O-N 2.92Å; L319-F323 VanDerWaalsContact O-CB 3.25Å; L319-F323 WeakPolarHBondContact O-CB 3.34Å; L319-F323 PolarHBondContact O-N 3.14Å; L319-F323 VanDerWaalsContact O-N 3.07Å
320I98.3Very high94.3Very high1 Ų153.8 Ų53.81%0.00527%0.267CS..Hα-helixtrans-59.8-55.1174.4-69.6167.9000109V90 V145 T316 A317 K318 D322 F323 L324V90-I320 HydrophobicContact CG1-CD1 4.21Å; V145-I320 HydrophobicContact CG1-CD1 4.23Å; T316-I320 HydrophobicContact CG2-CD1 4.02Å; T316-I320 WeakPolarHBondContact O-CG1 3.48Å; T316-I320 PolarHBondContact O-N 3.08Å; A317-I320 PolarHBondContact O-N 2.9Å; K318-I320 VanDerWaalsContact C-N 3.3Å; K318-I320 PolarHBondContact O-N 3.27Å; I320-D322 PolarHBondContact O-N 3.26Å; I320-F323 WeakPolarHBondContact O-CB 3.4Å; I320-F323 PolarHBondContact O-N 3.14Å; I320-L324 HydrophobicContact CG2-CD1 4.12Å; I320-L324 HydrophobicContact CG2-CG 4.2Å; I320-L324 VanDerWaalsContact O-CG 3.27Å; I320-L324 WeakPolarHBondContact O-CG 3.34Å; I320-L324 PolarHBondContact O-N 2.93Å
321I97.6Very high93.3Very high46 Ų4651.9 Ų51.924%0.23626%0.259CS..Hα-helixtrans-62.6-43.6-175.6-65.7-59000113L94 P95 L98 A317 K318 F323 L324 A325L94-I321 HydrophobicContact CD2-CD1 3.87Å; L94-I321 HydrophobicContact CD2-CG1 3.8Å; P95-I321 HydrophobicContact CG-CD1 4.08Å; P95-I321 HydrophobicContact CG-CG1 4.44Å; L98-I321 HydrophobicContact CD1-CD1 3.55Å; A317-I321 VanDerWaalsContact O-CG1 3.31Å; A317-I321 WeakPolarHBondContact O-CG1 3.47Å; A317-I321 PolarHBondContact O-N 3.15Å; K318-I321 PolarHBondContact O-N 2.89Å; I321-F323 VanDerWaalsContact C-N 3.26Å; I321-F323 PolarHBondContact O-N 2.86Å; I321-L324 PolarHBondContact O-N 3.46Å; I321-A325 PolarHBondContact O-N 2.74Å
322D97.7Very high91.8Very high75 Ų7554 Ų5440%0.40127%0.271SS..Hα-helixtrans-61.1-39.9177.9-66.3-14.6000110.4K318 I320 A325 S326K318-D322 VanDerWaalsContact CE-OD2 3.3Å; K318-D322 WeakPolarHBondContact CE-OD2 3.44Å; K318-D322 VanDerWaalsContact CG-OD2 3.25Å; K318-D322 WeakPolarHBondContact CG-OD2 3.46Å; K318-D322 VanDerWaalsContact NZ-CG 3.33Å; K318-D322 IonicContact NZ-OD1 3.14Å; K318-D322 PolarHBondContact NZ-OD1 3.31Å; K318-D322 VanDerWaalsContact NZ-OD1 3.14Å; K318-D322 IonicContact NZ-OD2 2.67Å; K318-D322 PolarHBondContact NZ-OD2 3.26Å; K318-D322 WeakPolarHBondContact O-CB 3.48Å; K318-D322 PolarHBondContact O-N 2.89Å; I320-D322 PolarHBondContact O-N 3.26Å; D322-A325 PolarHBondContact O-N 3.46Å; D322-S326 PolarHBondContact O-N 3Å; D322-S326 VanDerWaalsContact O-N 3.1Å
323F97.6Very high90.1Very high6 Ų655.5 Ų55.53%0.02628%0.284CS..Hα-helixtrans-68.7-43.8176.4179.2-125000113.3L168 P269 Q271 Q297 L319 I320 I321 A325 S326 V327L168-F323 WeakPolarHBondContact O-CE1 3.43Å; P269-F323 HydrophobicContact CB-CE2 4.47Å; P269-F323 HydrophobicContact CB-CZ 4.16Å; Q271-F323 HydrophobicContact CB-CD1 3.63Å; Q271-F323 HydrophobicContact CB-CD2 4.05Å; Q271-F323 HydrophobicContact CB-CE1 3.7Å; Q271-F323 HydrophobicContact CB-CE2 4.09Å; Q271-F323 HydrophobicContact CB-CG 3.8Å; Q271-F323 HydrophobicContact CB-CZ 3.92Å; Q271-F323 HydrophobicContact CG-CG 4.5Å; Q297-F323 HydrophobicContact CG-CD2 4.24Å; Q297-F323 HydrophobicContact CG-CE2 4.28Å; L319-F323 VanDerWaalsContact O-CB 3.25Å; L319-F323 WeakPolarHBondContact O-CB 3.34Å; L319-F323 PolarHBondContact O-N 3.14Å; L319-F323 VanDerWaalsContact O-N 3.07Å; I320-F323 WeakPolarHBondContact O-CB 3.4Å; I320-F323 PolarHBondContact O-N 3.14Å; I321-F323 VanDerWaalsContact C-N 3.26Å; I321-F323 PolarHBondContact O-N 2.86Å; F323-A325 PolarHBondContact O-N 3.34Å; F323-S326 PolarHBondContact O-N 3.25Å; F323-S326 VanDerWaalsContact O-N 3.14Å; F323-S326 PolarHBondContact O-OG 2.61Å; F323-V327 HydrophobicContact CD2-CG2 4.14Å; F323-V327 HydrophobicContact CE1-CG2 4.38Å; F323-V327 HydrophobicContact CE2-CG2 3.75Å; F323-V327 HydrophobicContact CZ-CG2 3.87Å; F323-V327 WeakPolarHBondContact O-CG2 3.31Å; F323-V327 PolarHBondContact O-N 3.03Å
324L94.4Very high88.7Confident18 Ų1861.1 Ų61.19%0.09431%0.305CS..Hα-helixtrans-60.9-35.9177-60.8-168.2000111.4I74 H143 I320 I321 H328I74-L324 HydrophobicContact CD1-CD1 3.43Å; I74-L324 VanDerWaalsContact CD1-CD1 3.43Å; I74-L324 HydrophobicContact CG1-CD1 3.93Å; H143-L324 HydrophobicContact CB-CD2 3.84Å; I320-L324 HydrophobicContact CG2-CD1 4.12Å; I320-L324 HydrophobicContact CG2-CG 4.2Å; I320-L324 VanDerWaalsContact O-CG 3.27Å; I320-L324 WeakPolarHBondContact O-CG 3.34Å; I320-L324 PolarHBondContact O-N 2.93Å; I321-L324 PolarHBondContact O-N 3.46Å; L324-H328 PolarHBondContact O-N 3.46Å
325A93.4Very high86.9Confident49 Ų4960.2 Ų60.241%0.40531%0.307SS..Hα-helixtrans-67.4-40.8175.100000112.5I321 D322 F323 H328 N329I321-A325 PolarHBondContact O-N 2.74Å; D322-A325 PolarHBondContact O-N 3.46Å; F323-A325 PolarHBondContact O-N 3.34Å; A325-H328 PolarHBondContact O-N 2.99Å; A325-N329 PolarHBondContact O-N 3.3Å; A325-N329 VanDerWaalsContact O-N 3.13Å; A325-N329 PolarHBondContact O-ND2 2.77Å
326S93.4Very high84.8Confident47 Ų4763.1 Ų63.133%0.32933%0.326SS..Hα-helixtrans-66.4-38.8179.2720000112.6D322 F323 N329 T330D322-S326 PolarHBondContact O-N 3Å; D322-S326 VanDerWaalsContact O-N 3.1Å; F323-S326 PolarHBondContact O-N 3.25Å; F323-S326 VanDerWaalsContact O-N 3.14Å; F323-S326 PolarHBondContact O-OG 2.61Å; S326-N329 PolarHBondContact O-N 3.13Å; S326-T330 PolarHBondContact O-N 3.03Å; S326-T330 VanDerWaalsContact O-N 3.17Å; S326-T330 PolarHBondContact O-OG1 3.09Å
327V91.3Very high82.1Confident6 Ų672.5 Ų72.54%0.03638%0.376CS..Hα-helixtrans-62.9-46.8174.8175.10000110.8P269 F323 N329 T330 D331P269-V327 HydrophobicContact CB-CG2 3.76Å; P269-V327 HydrophobicContact CG-CG1 4.26Å; P269-V327 HydrophobicContact CG-CG2 4.31Å; F323-V327 HydrophobicContact CD2-CG2 4.14Å; F323-V327 HydrophobicContact CE1-CG2 4.38Å; F323-V327 HydrophobicContact CE2-CG2 3.75Å; F323-V327 HydrophobicContact CZ-CG2 3.87Å; F323-V327 WeakPolarHBondContact O-CG2 3.31Å; F323-V327 PolarHBondContact O-N 3.03Å; V327-N329 VanDerWaalsContact C-N 3.33Å; V327-N329 PolarHBondContact O-N 3.43Å; V327-T330 WeakPolarHBondContact O-CB 3.22Å; V327-T330 PolarHBondContact O-N 2.96Å; V327-T330 VanDerWaalsContact O-N 3.15Å; V327-D331 PolarHBondContact O-N 3.2Å; V327-D331 VanDerWaalsContact O-N 3.08Å
328H84Confident81.3Confident100 Ų10076.1 Ų76.146%0.46339%0.394SS..Hα-helixtrans-60.9-39.8180-172.859.1000113.2L324 A325 T330 D331 N332L324-H328 PolarHBondContact O-N 3.46Å; A325-H328 PolarHBondContact O-N 2.99Å; H328-T330 VanDerWaalsContact C-N 3.34Å; H328-D331 PolarHBondContact O-N 3.42Å; H328-N332 PolarHBondContact NE2-ND2 3.21Å; H328-N332 VanDerWaalsContact NE2-ND2 3.18Å; H328-N332 PolarHBondContact O-N 2.99Å; H328-N332 VanDerWaalsContact O-N 3.15Å; H328-N332 PolarHBondContact O-ND2 3.41Å
329N80.6Confident80.4Confident94 Ų9473.9 Ų73.950%0.50339%0.388SS..Hα-helixtrans-66.1-37.6177.3-70.1-15.9000112A325 S326 V327 N332 N333A325-N329 PolarHBondContact O-N 3.3Å; A325-N329 VanDerWaalsContact O-N 3.13Å; A325-N329 PolarHBondContact O-ND2 2.77Å; S326-N329 PolarHBondContact O-N 3.13Å; V327-N329 VanDerWaalsContact C-N 3.33Å; V327-N329 PolarHBondContact O-N 3.43Å; N329-N332 PolarHBondContact O-N 2.88Å; N329-N333 PolarHBondContact O-N 2.9Å; N329-N333 VanDerWaalsContact O-N 3.13Å
330T76.2Confident79.4Confident68 Ų6877.4 Ų77.442%0.41741%0.406SS..Hα-helixtrans-65.5-41.2177.7-52.70000111.5S326 V327 H328 N333 K334S326-T330 PolarHBondContact O-N 3.03Å; S326-T330 VanDerWaalsContact O-N 3.17Å; S326-T330 PolarHBondContact O-OG1 3.09Å; V327-T330 WeakPolarHBondContact O-CB 3.22Å; V327-T330 PolarHBondContact O-N 2.96Å; V327-T330 VanDerWaalsContact O-N 3.15Å; H328-T330 VanDerWaalsContact C-N 3.34Å; T330-N333 PolarHBondContact O-N 3.38Å; T330-K334 WeakPolarHBondContact O-CG 3.43Å; T330-K334 PolarHBondContact O-N 3.01Å; T330-K334 VanDerWaalsContact O-N 3.13Å
331D72.5Confident78.3Confident61 Ų6181.9 Ų81.933%0.32643%0.429SS..Hα-helixtrans-67.4-34.3177.7-73.2-16.2000112.9V327 H328 K335V327-D331 PolarHBondContact O-N 3.2Å; V327-D331 VanDerWaalsContact O-N 3.08Å; H328-D331 PolarHBondContact O-N 3.42Å; D331-K335 WeakPolarHBondContact O-CG 3.47Å; D331-K335 PolarHBondContact O-N 2.99Å
332N65.9Low77.1Confident63 Ų6384.1 Ų84.134%0.33744%0.442SS..Hα-helixtrans-70.1-40.2176.8-72.2-22.7000111.6H328 N329 K335 L336H328-N332 PolarHBondContact NE2-ND2 3.21Å; H328-N332 VanDerWaalsContact NE2-ND2 3.18Å; H328-N332 PolarHBondContact O-N 2.99Å; H328-N332 VanDerWaalsContact O-N 3.15Å; H328-N332 PolarHBondContact O-ND2 3.41Å; N329-N332 PolarHBondContact O-N 2.88Å; N332-K335 PolarHBondContact O-N 3.32Å; N332-L336 WeakPolarHBondContact O-CG 3.28Å; N332-L336 PolarHBondContact O-N 2.93Å
333N61.2Low75.7Confident103 Ų10384.7 Ų84.755%0.55144%0.444SS*.Hα-helixtrans-64.5-42.6176.7-69.9-5.4000111.3N329 T330 K335 L336 D337N329-N333 PolarHBondContact O-N 2.9Å; N329-N333 VanDerWaalsContact O-N 3.13Å; T330-N333 PolarHBondContact O-N 3.38Å; N333-K335 PolarHBondContact O-N 3.03Å; N333-K335 VanDerWaalsContact O-N 3.15Å; N333-L336 PolarHBondContact O-N 2.75Å; N333-L336 VanDerWaalsContact O-N 3.09Å; N333-D337 PolarHBondContact O-N 2.98Å
334K66.8Low74.1Confident145 Ų14590.4 Ų90.463%0.6347%0.474SS*.THydrogen-bonded Turntrans-63.7-17.1175.7-74.7-177.9179-179.80115.3T330T330-K334 WeakPolarHBondContact O-CG 3.43Å; T330-K334 PolarHBondContact O-N 3.01Å; T330-K334 VanDerWaalsContact O-N 3.13Å
335K62.4Low72.6Confident170 Ų17095.9 Ų95.974%0.73950%0.503SS*.THydrogen-bonded Turntrans-91.8-12.3176.8-76.1178.3-179.9176.90113.2D331 N332 N333D331-K335 WeakPolarHBondContact O-CG 3.47Å; D331-K335 PolarHBondContact O-N 2.99Å; N332-K335 PolarHBondContact O-N 3.32Å; N333-K335 PolarHBondContact O-N 3.03Å; N333-K335 VanDerWaalsContact O-N 3.15Å
336L52.9Low70.8Confident144 Ų14499.8 Ų99.875%0.75451%0.512SS*.THydrogen-bonded Turntrans-96.7-16.9-179.8-71.6164.2000112.4N332 N333N332-L336 WeakPolarHBondContact O-CG 3.28Å; N332-L336 PolarHBondContact O-N 2.93Å; N333-L336 PolarHBondContact O-N 2.75Å; N333-L336 VanDerWaalsContact O-N 3.09Å
337D42.8Very low68.8Low197 Ų197104.6 Ų104.6100%1.05353%0.528SS*.  trans-91.50173-62.4-27.8000111.7N333N333-D337 PolarHBondContact O-N 2.98Å

Retrieved 337 of 337 residues in 2149.6 ms (Link to these results)

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