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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 A0A061IL50, Species CRIGR (Cricetulus griseus, Chinese hamster), 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
1M55.8Low67.5Low206 Ų206113.7 Ų113.7100%1.01559%0.594SS**  01120-155.7-175.7-49.100105.1V6M1-V6 HydrophobicContact SD-CG2 4.38Å
2D71.9Confident67.1Low119 Ų119107.8 Ų107.864%0.63657%0.574SS**  trans-58.7138.1-171.6-92.3-39.5000111.4D4 V5 V6D2-D4 PolarHBondContact O-N 3.17Å; D2-D4 VanDerWaalsContact O-N 3.11Å; D2-V5 HydrophobicContact CB-CG2 4.05Å; D2-V5 WeakPolarHBondContact O-CB 3.5Å; D2-V5 PolarHBondContact O-N 3.46Å; D2-V6 PolarHBondContact O-N 3.47Å
3L66.4Low67Low134 Ų134102.3 Ų102.370%0.70256%0.559SS**Hα-helixtrans-54.2-31.3177.9-152.481.1000111.3V6 N7L3-V6 PolarHBondContact O-N 3.29Å; L3-N7 WeakPolarHBondContact O-CB 3.45Å; L3-N7 PolarHBondContact O-N 3.49Å; L3-N7 PolarHBondContact O-ND2 3.2Å
4D71.6Confident66.9Low123 Ų12396.7 Ų96.766%0.65854%0.537SS*.Hα-helixtrans-68.1-34.8176.7-68.7-29.2000113.3D2 M8D2-D4 PolarHBondContact O-N 3.17Å; D2-D4 VanDerWaalsContact O-N 3.11Å; D4-M8 VanDerWaalsContact O-CB 3.27Å; D4-M8 WeakPolarHBondContact O-CB 3.49Å; D4-M8 PolarHBondContact O-N 3.43Å
5V65.5Low67.4Low54 Ų5496.3 Ų96.333%0.32754%0.538SS..Hα-helixtrans-70.3-41.2177.4178.30000109.9D2 M8 F9D2-V5 HydrophobicContact CB-CG2 4.05Å; D2-V5 WeakPolarHBondContact O-CB 3.5Å; D2-V5 PolarHBondContact O-N 3.46Å; V5-M8 PolarHBondContact O-N 3.13Å; V5-F9 HydrophobicContact CG1-CD2 3.79Å; V5-F9 HydrophobicContact CG1-CE2 3.54Å; V5-F9 WeakPolarHBondContact O-CD2 3.49Å; V5-F9 PolarHBondContact O-N 3.17Å
6V68.5Low67.8Low67 Ų6797.9 Ų97.941%0.40654%0.544SS..Hα-helixtrans-65.3-45.3176.3179.10000111M1 D2 L3 M8 F9 V10M1-V6 HydrophobicContact SD-CG2 4.38Å; D2-V6 PolarHBondContact O-N 3.47Å; L3-V6 PolarHBondContact O-N 3.29Å; V6-M8 VanDerWaalsContact C-N 3.34Å; V6-M8 PolarHBondContact O-N 3.12Å; V6-F9 PolarHBondContact O-N 3.49Å; V6-V10 HydrophobicContact CG1-CG2 4.46Å; V6-V10 WeakPolarHBondContact O-CG2 3.42Å; V6-V10 PolarHBondContact O-N 3.48Å
7N70.7Confident68.4Low81 Ų8194.7 Ų94.743%0.43353%0.533SS..Hα-helixtrans-62.7-39.4176.1-78.8-22.5000112.3L3 V10 I11L3-N7 WeakPolarHBondContact O-CB 3.45Å; L3-N7 PolarHBondContact O-N 3.49Å; L3-N7 PolarHBondContact O-ND2 3.2Å; N7-V10 PolarHBondContact O-N 3.11Å; N7-I11 WeakPolarHBondContact O-CB 3.47Å; N7-I11 WeakPolarHBondContact O-CD1 3.46Å; N7-I11 WeakPolarHBondContact O-CG1 3.27Å; N7-I11 PolarHBondContact O-N 3.39Å
8M67.6Low69.2Low113 Ų11396 Ų9656%0.55754%0.537SS*.Hα-helixtrans-62.2-42.1174.5-173.1-177.367.300111.8D4 V5 V6 A12D4-M8 VanDerWaalsContact O-CB 3.27Å; D4-M8 WeakPolarHBondContact O-CB 3.49Å; D4-M8 PolarHBondContact O-N 3.43Å; V5-M8 PolarHBondContact O-N 3.13Å; V6-M8 VanDerWaalsContact C-N 3.34Å; V6-M8 PolarHBondContact O-N 3.12Å; M8-A12 WeakPolarHBondContact O-CB 3.48Å; M8-A12 PolarHBondContact O-N 3.29Å
9F65.5Low69.9Low139 Ų13994.9 Ų94.961%0.6154%0.535SS*.Hα-helixtrans-68.8-35.2175.4-80.2-66.4000113.3V5 V6 G13V5-F9 HydrophobicContact CG1-CD2 3.79Å; V5-F9 HydrophobicContact CG1-CE2 3.54Å; V5-F9 WeakPolarHBondContact O-CD2 3.49Å; V5-F9 PolarHBondContact O-N 3.17Å; V6-F9 PolarHBondContact O-N 3.49Å; F9-G13 WeakPolarHBondContact O-CA 3.42Å; F9-G13 PolarHBondContact O-N 3.08Å
10V69.6Low70.6Confident98 Ų9895.2 Ų95.259%0.59453%0.534SS*.Hα-helixtrans-68.6-42175.3171.30000111.1V6 N7 G14V6-V10 HydrophobicContact CG1-CG2 4.46Å; V6-V10 WeakPolarHBondContact O-CG2 3.42Å; V6-V10 PolarHBondContact O-N 3.48Å; N7-V10 PolarHBondContact O-N 3.11Å; V10-G14 PolarHBondContact O-N 3.09Å
11I69.2Low71.2Confident117 Ų11796.1 Ų96.160%0.654%0.537SS*.Hα-helixtrans-67-49.6176.1-67.3165.3000109.9N7 G13 G14 T15N7-I11 WeakPolarHBondContact O-CB 3.47Å; N7-I11 WeakPolarHBondContact O-CD1 3.46Å; N7-I11 WeakPolarHBondContact O-CG1 3.27Å; N7-I11 PolarHBondContact O-N 3.39Å; I11-G13 PolarHBondContact O-N 3.25Å; I11-G14 PolarHBondContact O-N 3.42Å; I11-T15 PolarHBondContact O-N 2.84Å; I11-T15 PolarHBondContact O-OG1 3.35Å
12A62.9Low72.4Confident43 Ų4388.7 Ų88.736%0.35551%0.509SS..Hα-helixtrans-60.6-44.2178.100000111.8M8 T15 L16M8-A12 WeakPolarHBondContact O-CB 3.48Å; M8-A12 PolarHBondContact O-N 3.29Å; A12-T15 VanDerWaalsContact C-OG1 3.32Å; A12-T15 VanDerWaalsContact CA-OG1 3.24Å; A12-T15 WeakPolarHBondContact CA-OG1 3.47Å; A12-T15 PolarHBondContact O-N 3.34Å; A12-T15 PolarHBondContact O-OG1 2.92Å; A12-L16 PolarHBondContact O-N 3Å
13G66.2Low72.9Confident36 Ų3688.8 Ų88.837%0.37150%0.504SS..Hα-helixtrans-61.2-44.9174.200000112F9 I11 L16 A17F9-G13 WeakPolarHBondContact O-CA 3.42Å; F9-G13 PolarHBondContact O-N 3.08Å; I11-G13 PolarHBondContact O-N 3.25Å; G13-L16 PolarHBondContact O-N 3.43Å; G13-A17 WeakPolarHBondContact O-CA 3.4Å; G13-A17 WeakPolarHBondContact O-CB 3.45Å; G13-A17 PolarHBondContact O-N 2.96Å
14G65.3Low73.6Confident24 Ų2485.5 Ų85.525%0.24749%0.489CS..Hα-helixtrans-63.7-42.6175.200000113.2V10 I11 L16 I18V10-G14 PolarHBondContact O-N 3.09Å; I11-G14 PolarHBondContact O-N 3.42Å; G14-L16 VanDerWaalsContact C-N 3.26Å; G14-L16 PolarHBondContact O-N 3.38Å; G14-I18 VanDerWaalsContact O-CB 3.29Å; G14-I18 WeakPolarHBondContact O-CB 3.29Å; G14-I18 WeakPolarHBondContact O-CD1 3.27Å; G14-I18 VanDerWaalsContact O-CG1 3.26Å; G14-I18 WeakPolarHBondContact O-CG1 2.96Å; G14-I18 PolarHBondContact O-N 3.33Å
15T74.4Confident74.2Confident91 Ų9181.5 Ų81.556%0.55847%0.473SS*.Hα-helixtrans-64.5-25.6178.234.70000114.1I11 A12 P19I11-T15 PolarHBondContact O-N 2.84Å; I11-T15 PolarHBondContact O-OG1 3.35Å; A12-T15 VanDerWaalsContact C-OG1 3.32Å; A12-T15 VanDerWaalsContact CA-OG1 3.24Å; A12-T15 WeakPolarHBondContact CA-OG1 3.47Å; A12-T15 PolarHBondContact O-N 3.34Å; A12-T15 PolarHBondContact O-OG1 2.92Å; T15-P19 WeakPolarHBondContact O-CD 3.27Å; T15-P19 VanDerWaalsContact O-CG 3.23Å; T15-P19 WeakPolarHBondContact O-CG 3.34Å
16L73.4Confident74.8Confident121 Ų12180.5 Ų80.563%0.63447%0.468SS*.Hα-helixtrans-98.6-41.2176.1-71.5168.7000112.3A12 G13 G14 P19 I20A12-L16 PolarHBondContact O-N 3Å; G13-L16 PolarHBondContact O-N 3.43Å; G14-L16 VanDerWaalsContact C-N 3.26Å; G14-L16 PolarHBondContact O-N 3.38Å; L16-P19 WeakPolarHBondContact O-CD 3.09Å; L16-I20 WeakPolarHBondContact O-CB 3.36Å; L16-I20 VanDerWaalsContact O-CD1 3.27Å; L16-I20 WeakPolarHBondContact O-CD1 3.11Å; L16-I20 WeakPolarHBondContact O-CG1 3.47Å; L16-I20 PolarHBondContact O-N 3.49Å
17A78.9Confident75.4Confident44 Ų4479.7 Ų79.736%0.36446%0.459SS..Hα-helixtrans-68.7-39.4-177.200000112.3G13 I20 L21G13-A17 WeakPolarHBondContact O-CA 3.4Å; G13-A17 WeakPolarHBondContact O-CB 3.45Å; G13-A17 PolarHBondContact O-N 2.96Å; A17-I20 PolarHBondContact O-N 3.1Å; A17-L21 VanDerWaalsContact O-CB 3.26Å; A17-L21 WeakPolarHBondContact O-CB 3.23Å; A17-L21 WeakPolarHBondContact O-CG 3.39Å; A17-L21 PolarHBondContact O-N 3.1Å
18I82.3Confident75.8Confident118 Ų11880.6 Ų80.661%0.60546%0.463SS*.Hα-helixtrans-64.4-49.6-179-65.9167000111.2G14 I20 L21 A22G14-I18 VanDerWaalsContact O-CB 3.29Å; G14-I18 WeakPolarHBondContact O-CB 3.29Å; G14-I18 WeakPolarHBondContact O-CD1 3.27Å; G14-I18 VanDerWaalsContact O-CG1 3.26Å; G14-I18 WeakPolarHBondContact O-CG1 2.96Å; G14-I18 PolarHBondContact O-N 3.33Å; I18-I20 VanDerWaalsContact C-N 3.33Å; I18-I20 PolarHBondContact O-N 2.92Å; I18-L21 PolarHBondContact O-N 2.92Å; I18-A22 VanDerWaalsContact O-CB 3.25Å; I18-A22 WeakPolarHBondContact O-CB 3.48Å; I18-A22 PolarHBondContact O-N 3.38Å
19P83.1Confident76.6Confident75 Ų7580.7 Ų80.749%0.48747%0.466SS..Hα-helixtrans-62.2-37.2174.7-25.836000113.7T15 L16 F23T15-P19 WeakPolarHBondContact O-CD 3.27Å; T15-P19 VanDerWaalsContact O-CG 3.23Å; T15-P19 WeakPolarHBondContact O-CG 3.34Å; L16-P19 WeakPolarHBondContact O-CD 3.09Å; P19-F23 VanDerWaalsContact O-CB 3.3Å; P19-F23 WeakPolarHBondContact O-CB 3.43Å; P19-F23 PolarHBondContact O-N 3.24Å
20I82.8Confident77.7Confident100 Ų10081.5 Ų81.551%0.51347%0.465SS..Hα-helixtrans-65.9-47.9176.9-69.2167.8000110.3L16 A17 I18 A22 F23 V24L16-I20 WeakPolarHBondContact O-CB 3.36Å; L16-I20 VanDerWaalsContact O-CD1 3.27Å; L16-I20 WeakPolarHBondContact O-CD1 3.11Å; L16-I20 WeakPolarHBondContact O-CG1 3.47Å; L16-I20 PolarHBondContact O-N 3.49Å; A17-I20 PolarHBondContact O-N 3.1Å; I18-I20 VanDerWaalsContact C-N 3.33Å; I18-I20 PolarHBondContact O-N 2.92Å; I20-A22 VanDerWaalsContact C-N 3.35Å; I20-A22 PolarHBondContact O-N 3.36Å; I20-F23 PolarHBondContact O-N 3.48Å; I20-V24 HydrophobicContact CG2-CG2 4.33Å; I20-V24 WeakPolarHBondContact O-CB 3.02Å; I20-V24 VanDerWaalsContact O-CG2 3.27Å; I20-V24 WeakPolarHBondContact O-CG2 3.33Å; I20-V24 PolarHBondContact O-N 3.36Å
21L84.3Confident78.5Confident115 Ų11577.4 Ų77.460%0.60244%0.44SS*.Hα-helixtrans-63.7-40.6177.4-73.2169.7000111.4A17 I18 F23 V24 A25A17-L21 VanDerWaalsContact O-CB 3.26Å; A17-L21 WeakPolarHBondContact O-CB 3.23Å; A17-L21 WeakPolarHBondContact O-CG 3.39Å; A17-L21 PolarHBondContact O-N 3.1Å; I18-L21 PolarHBondContact O-N 2.92Å; L21-F23 VanDerWaalsContact C-N 3.35Å; L21-V24 PolarHBondContact O-N 3.5Å; L21-A25 WeakPolarHBondContact O-CB 3.31Å; L21-A25 PolarHBondContact O-N 3.49Å
22A80.6Confident79.5Confident51 Ų5173.4 Ų73.442%0.42142%0.423SS..Hα-helixtrans-63.5-40.5174.400000111.7I18 I20 S26I18-A22 VanDerWaalsContact O-CB 3.25Å; I18-A22 WeakPolarHBondContact O-CB 3.48Å; I18-A22 PolarHBondContact O-N 3.38Å; I20-A22 VanDerWaalsContact C-N 3.35Å; I20-A22 PolarHBondContact O-N 3.36Å; A22-S26 VanDerWaalsContact O-CB 3.25Å; A22-S26 WeakPolarHBondContact O-CB 3.36Å; A22-S26 PolarHBondContact O-N 2.81Å; A22-S26 PolarHBondContact O-OG 3.42Å
23F81.8Confident80.8Confident121 Ų12173 Ų7353%0.53142%0.42SS..Hα-helixtrans-64.8-47.7174.1176.5-96.2000111.6P19 I20 L21 S26 F27 L34P19-F23 VanDerWaalsContact O-CB 3.3Å; P19-F23 WeakPolarHBondContact O-CB 3.43Å; P19-F23 PolarHBondContact O-N 3.24Å; I20-F23 PolarHBondContact O-N 3.48Å; L21-F23 VanDerWaalsContact C-N 3.35Å; F23-S26 PolarHBondContact O-N 3.41Å; F23-F27 VanDerWaalsContact O-CB 3.25Å; F23-F27 WeakPolarHBondContact O-CB 3.4Å; F23-F27 PolarHBondContact O-N 3.17Å; F23-L34 HydrophobicContact CD2-CD2 4.37Å; F23-L34 HydrophobicContact CE2-CD1 4.33Å; F23-L34 HydrophobicContact CE2-CD2 4.22Å
24V82.6Confident81.8Confident65 Ų6573 Ų7339%0.39441%0.411SS..Hα-helixtrans-61.6-47.1178.11710000110.5I20 L21 S26 F27 L28I20-V24 HydrophobicContact CG2-CG2 4.33Å; I20-V24 WeakPolarHBondContact O-CB 3.02Å; I20-V24 VanDerWaalsContact O-CG2 3.27Å; I20-V24 WeakPolarHBondContact O-CG2 3.33Å; I20-V24 PolarHBondContact O-N 3.36Å; L21-V24 PolarHBondContact O-N 3.5Å; V24-S26 PolarHBondContact O-N 3.2Å; V24-F27 PolarHBondContact O-N 3.19Å; V24-L28 HydrophobicContact CG1-CD1 3.79Å; V24-L28 HydrophobicContact CG1-CG 4.4Å; V24-L28 WeakPolarHBondContact O-CB 3.49Å; V24-L28 VanDerWaalsContact O-CG 3.25Å; V24-L28 WeakPolarHBondContact O-CG 3.24Å; V24-L28 PolarHBondContact O-N 3.38Å
25A83Confident83.2Confident38 Ų3872.9 Ų72.931%0.31440%0.404SS..Hα-helixtrans-60.7-44.6175.900000111.4L21 F27 L28 L29L21-A25 WeakPolarHBondContact O-CB 3.31Å; L21-A25 PolarHBondContact O-N 3.49Å; A25-F27 VanDerWaalsContact C-N 3.34Å; A25-F27 PolarHBondContact O-N 3.1Å; A25-L28 PolarHBondContact O-N 2.86Å; A25-L29 VanDerWaalsContact O-CB 3.23Å; A25-L29 WeakPolarHBondContact O-CB 3.5Å; A25-L29 WeakPolarHBondContact O-CG 3.37Å; A25-L29 PolarHBondContact O-N 2.99Å
26S78.4Confident84Confident34 Ų3475.3 Ų75.324%0.23840%0.403CS..Hα-helixtrans-64.6-38.1176.3-58.80000112.4A22 F23 V24 L28 W30A22-S26 VanDerWaalsContact O-CB 3.25Å; A22-S26 WeakPolarHBondContact O-CB 3.36Å; A22-S26 PolarHBondContact O-N 2.81Å; A22-S26 PolarHBondContact O-OG 3.42Å; F23-S26 PolarHBondContact O-N 3.41Å; V24-S26 PolarHBondContact O-N 3.2Å; S26-L28 VanDerWaalsContact C-N 3.35Å; S26-W30 CarbonylContact O-C 3.48Å; S26-W30 VanDerWaalsContact O-CA 3.31Å; S26-W30 WeakPolarHBondContact O-CA 3.44Å; S26-W30 PolarHBondContact O-N 2.88Å
27F80.5Confident85Confident50 Ų5074.2 Ų74.222%0.21940%0.397CS..Hα-helixtrans-66.1-36.7177-178.1-97.6000112.6F23 V24 A25 L34 P225 Q227 I228F23-F27 VanDerWaalsContact O-CB 3.25Å; F23-F27 WeakPolarHBondContact O-CB 3.4Å; F23-F27 PolarHBondContact O-N 3.17Å; V24-F27 PolarHBondContact O-N 3.19Å; A25-F27 VanDerWaalsContact C-N 3.34Å; A25-F27 PolarHBondContact O-N 3.1Å; F27-L34 VanDerWaalsContact CA-CD1 3.44Å; F27-L34 HydrophobicContact CB-CD1 3.67Å; F27-L34 HydrophobicContact CD2-CD1 3.57Å; F27-L34 HydrophobicContact CG-CD1 4.09Å; F27-P225 HydrophobicContact CZ-CB 4.49Å; F27-Q227 HydrophobicContact CD1-CB 4.09Å; F27-Q227 HydrophobicContact CD1-CG 4.08Å; F27-Q227 HydrophobicContact CE1-CB 3.51Å; F27-Q227 HydrophobicContact CE1-CG 3.61Å; F27-Q227 HydrophobicContact CE2-CB 4.08Å; F27-Q227 HydrophobicContact CZ-CB 3.51Å; F27-Q227 HydrophobicContact CZ-CG 4.13Å; F27-I228 HydrophobicContact CE2-CG1 3.95Å; F27-I228 HydrophobicContact CZ-CG1 4.41Å
28L79.9Confident85.7Confident99 Ų9978.1 Ų78.152%0.51840%0.403SS..Hα-helixtrans-83.4-39.1-179.7-66.2174.7000112.8V24 A25 S26 Q227V24-L28 HydrophobicContact CG1-CD1 3.79Å; V24-L28 HydrophobicContact CG1-CG 4.4Å; V24-L28 WeakPolarHBondContact O-CB 3.49Å; V24-L28 VanDerWaalsContact O-CG 3.25Å; V24-L28 WeakPolarHBondContact O-CG 3.24Å; V24-L28 PolarHBondContact O-N 3.38Å; A25-L28 PolarHBondContact O-N 2.86Å; S26-L28 VanDerWaalsContact C-N 3.35Å; L28-Q227 HydrophobicContact CD2-CG 4.38Å
29L84.8Confident86.3Confident116 Ų11674.5 Ų74.561%0.60738%0.382SS*.Hα-helixtrans-101-28.6-170.3-58175.9000113.6A25A25-L29 VanDerWaalsContact O-CB 3.23Å; A25-L29 WeakPolarHBondContact O-CB 3.5Å; A25-L29 WeakPolarHBondContact O-CG 3.37Å; A25-L29 PolarHBondContact O-N 2.99Å
30W86.9Confident86.9Confident155 Ų15577.4 Ų77.459%0.58738%0.384SS*.  trans-137.158.6-176.7-57.2-56.7000112.4S26 S32 A33S26-W30 CarbonylContact O-C 3.48Å; S26-W30 VanDerWaalsContact O-CA 3.31Å; S26-W30 WeakPolarHBondContact O-CA 3.44Å; S26-W30 PolarHBondContact O-N 2.88Å; W30-S32 PolarHBondContact O-N 2.88Å; W30-S32 VanDerWaalsContact O-N 3.14Å; W30-A33 HydrophobicContact CB-CB 4.02Å; W30-A33 WeakPolarHBondContact O-CB 3.41Å; W30-A33 PolarHBondContact O-N 2.87Å
31P87.9Confident87.6Confident12 Ų1278.7 Ų78.78%0.07838%0.383CS..Hα-helixtrans-60.2-31-175.726.1-35.4000112.6A33 L34 I35 Q227 Q230P31-A33 VanDerWaalsContact C-N 3.31Å; P31-A33 PolarHBondContact O-N 3.49Å; P31-L34 PolarHBondContact O-N 2.76Å; P31-I35 PolarHBondContact O-N 3.25Å; P31-Q227 WeakPolarHBondContact CB-O 3.33Å; P31-Q230 HydrophobicContact CG-CB 4.32Å; P31-Q230 HydrophobicContact CG-CG 4.12Å
32S89.1Confident88.2Confident33 Ų3376 Ų7623%0.23137%0.365CS..Hα-helixtrans-62.5-32.317465.30000113.9W30 L34 I35 R36W30-S32 PolarHBondContact O-N 2.88Å; W30-S32 VanDerWaalsContact O-N 3.14Å; S32-L34 VanDerWaalsContact C-N 3.34Å; S32-I35 PolarHBondContact O-N 2.81Å; S32-R36 WeakPolarHBondContact O-CG 3.34Å; S32-R36 PolarHBondContact O-N 3.47Å; S32-R36 VanDerWaalsContact O-N 3.09Å
33A89.9Confident89Confident36 Ų3675.6 Ų75.630%0.29835%0.352SS..Hα-helixtrans-65.5-39.5176.500000110.9W30 P31 I35 R36 I37W30-A33 HydrophobicContact CB-CB 4.02Å; W30-A33 WeakPolarHBondContact O-CB 3.41Å; W30-A33 PolarHBondContact O-N 2.87Å; P31-A33 VanDerWaalsContact C-N 3.31Å; P31-A33 PolarHBondContact O-N 3.49Å; A33-I35 PolarHBondContact O-N 3.33Å; A33-R36 PolarHBondContact O-N 2.86Å; A33-I37 WeakPolarHBondContact O-CB 3.42Å; A33-I37 VanDerWaalsContact O-CG1 3.25Å; A33-I37 WeakPolarHBondContact O-CG1 3.28Å; A33-I37 PolarHBondContact O-N 3.31Å
34L89Confident89.7Confident35 Ų3578.4 Ų78.418%0.18336%0.36CS..Hα-helixtrans-64.5-39.1176-65.2-177.6000112.4F23 F27 P31 S32 R36 I37 Y38F23-L34 HydrophobicContact CD2-CD2 4.37Å; F23-L34 HydrophobicContact CE2-CD1 4.33Å; F23-L34 HydrophobicContact CE2-CD2 4.22Å; F27-L34 VanDerWaalsContact CA-CD1 3.44Å; F27-L34 HydrophobicContact CB-CD1 3.67Å; F27-L34 HydrophobicContact CD2-CD1 3.57Å; F27-L34 HydrophobicContact CG-CD1 4.09Å; P31-L34 PolarHBondContact O-N 2.76Å; S32-L34 VanDerWaalsContact C-N 3.34Å; L34-R36 VanDerWaalsContact C-N 3.34Å; L34-R36 PolarHBondContact O-N 2.88Å; L34-I37 PolarHBondContact O-N 3.48Å; L34-Y38 VanDerWaalsContact O-CB 3.31Å; L34-Y38 WeakPolarHBondContact O-CB 3.03Å; L34-Y38 PolarHBondContact O-N 2.8Å
35I93Very high90.4Very high21 Ų2178.7 Ų78.711%0.10836%0.361CS..Hα-helixtrans-61.2-44.7174-59.1-55.1000110.7P31 S32 A33 Y38 Y39 I228 L232 V235P31-I35 PolarHBondContact O-N 3.25Å; S32-I35 PolarHBondContact O-N 2.81Å; A33-I35 PolarHBondContact O-N 3.33Å; I35-Y38 WeakPolarHBondContact O-CB 3.42Å; I35-Y38 PolarHBondContact O-N 3.02Å; I35-Y39 HydrophobicContact CG2-CD2 3.87Å; I35-Y39 HydrophobicContact CG2-CE2 3.49Å; I35-Y39 VanDerWaalsContact CG2-CE2 3.49Å; I35-Y39 WeakPolarHBondContact O-CD2 3.26Å; I35-Y39 PolarHBondContact O-N 3.29Å; I35-Y39 VanDerWaalsContact O-N 3.1Å; I35-I228 HydrophobicContact CD1-CG2 4.43Å; I35-L232 HydrophobicContact CD1-CD2 4.06Å; I35-L232 HydrophobicContact CD1-CG 4.23Å; I35-L232 HydrophobicContact CG1-CD2 4.44Å; I35-L232 HydrophobicContact CG2-CD2 4.29Å; I35-V235 HydrophobicContact CB-CG1 4.32Å; I35-V235 HydrophobicContact CG2-CG1 4.31Å; I35-V235 HydrophobicContact CG2-CG2 4.29Å
36R92.8Very high91.1Very high142 Ų14278 Ų7854%0.53635%0.352SS..Hα-helixtrans-64.6-42.1177.4-67.9177.2-172.3-82.3-3.5112.2S32 A33 L34 Y39 W40 V235S32-R36 WeakPolarHBondContact O-CG 3.34Å; S32-R36 PolarHBondContact O-N 3.47Å; S32-R36 VanDerWaalsContact O-N 3.09Å; A33-R36 PolarHBondContact O-N 2.86Å; L34-R36 VanDerWaalsContact C-N 3.34Å; L34-R36 PolarHBondContact O-N 2.88Å; R36-Y39 PolarHBondContact O-N 2.99Å; R36-W40 WeakPolarHBondContact O-CB 3.14Å; R36-W40 PolarHBondContact O-N 2.96Å; R36-V235 HydrophobicContact CG-CG1 4.4Å
37I93.1Very high92Very high98 Ų9878.3 Ų78.350%0.50336%0.361SS..Hα-helixtrans-63.8-42.8176-69.5166.3000110.6A33 L34 Y39 W40 Y41A33-I37 WeakPolarHBondContact O-CB 3.42Å; A33-I37 VanDerWaalsContact O-CG1 3.25Å; A33-I37 WeakPolarHBondContact O-CG1 3.28Å; A33-I37 PolarHBondContact O-N 3.31Å; L34-I37 PolarHBondContact O-N 3.48Å; I37-Y39 PolarHBondContact O-N 3.14Å; I37-W40 PolarHBondContact O-N 3.24Å; I37-Y41 WeakPolarHBondContact O-CB 3.31Å; I37-Y41 PolarHBondContact O-N 3.06Å
38Y94.1Very high92.8Very high126 Ų12676.4 Ų76.449%0.49435%0.353SS..Hα-helixtrans-56.2-51176170.2-92.2000111.3L34 I35 Y41 W42L34-Y38 VanDerWaalsContact O-CB 3.31Å; L34-Y38 WeakPolarHBondContact O-CB 3.03Å; L34-Y38 PolarHBondContact O-N 2.8Å; I35-Y38 WeakPolarHBondContact O-CB 3.42Å; I35-Y38 PolarHBondContact O-N 3.02Å; Y38-Y41 PolarHBondContact O-N 2.95Å; Y38-W42 AromaticContact CD2-CD1 3.69Å; Y38-W42 AromaticContact CD2-NE1 3.75Å; Y38-W42 AromaticContact CE1-CD1 3.78Å; Y38-W42 AromaticContact CE2-CD1 3.32Å; Y38-W42 AromaticContact CE2-NE1 3.09Å; Y38-W42 AromaticContact CZ-CD1 3.34Å; Y38-W42 AromaticContact CZ-NE1 3.39Å; Y38-W42 PolarHBondContact O-N 3.4Å
39Y95.6Very high93.6Very high43 Ų4376.9 Ų76.917%0.16935%0.352CS..Hα-helixtrans-66.7-38.6178-69.2-55.3000112.4I35 R36 I37 Y41 W42 R43 H83 D85 L88I35-Y39 HydrophobicContact CG2-CD2 3.87Å; I35-Y39 HydrophobicContact CG2-CE2 3.49Å; I35-Y39 VanDerWaalsContact CG2-CE2 3.49Å; I35-Y39 WeakPolarHBondContact O-CD2 3.26Å; I35-Y39 PolarHBondContact O-N 3.29Å; I35-Y39 VanDerWaalsContact O-N 3.1Å; R36-Y39 PolarHBondContact O-N 2.99Å; I37-Y39 PolarHBondContact O-N 3.14Å; Y39-Y41 PolarHBondContact O-N 2.94Å; Y39-W42 PolarHBondContact O-N 2.68Å; Y39-R43 WeakPolarHBondContact O-CB 3.34Å; Y39-R43 WeakPolarHBondContact O-CG 3.26Å; Y39-R43 PolarHBondContact O-N 3.34Å; Y39-H83 AromaticContact CE1-CE1 3.87Å; Y39-H83 AromaticContact CE2-CE1 3.48Å; Y39-H83 VanDerWaalsContact CE2-CE1 3.48Å; Y39-H83 WeakPolarHBondContact CE2-CE1 3.46Å; Y39-H83 AromaticContact CE2-NE2 3.71Å; Y39-H83 AromaticContact CZ-CE1 3.4Å; Y39-H83 AromaticContact CZ-NE2 3.67Å; Y39-H83 PolarHBondContact OH-NE2 3.25Å; Y39-D85 HydrophobicContact CD1-CB 3.67Å; Y39-D85 HydrophobicContact CE1-CB 4.06Å; Y39-D85 HydrophobicContact CG-CB 4.13Å; Y39-L88 HydrophobicContact CD1-CD1 4.18Å
40W95.8Very high94.3Very high135 Ų13574 Ų7451%0.51134%0.34SS..Hα-helixtrans-59.2-46.2174.1173.490.7000112.2R36 I37 R43 R44R36-W40 WeakPolarHBondContact O-CB 3.14Å; R36-W40 PolarHBondContact O-N 2.96Å; I37-W40 PolarHBondContact O-N 3.24Å; W40-R43 VanDerWaalsContact CA-NH2 3.29Å; W40-R43 PolarHBondContact O-N 3.04Å; W40-R44 PolarHBondContact O-N 2.92Å; W40-R44 VanDerWaalsContact O-N 3.08Å
41Y96.9Very high94.8Very high127 Ų12773 Ų7350%0.49834%0.336SS..Hα-helixtrans-59.6-50.9177.4171.5-98.8000110.9I37 Y38 Y39 R43 R44 T45I37-Y41 WeakPolarHBondContact O-CB 3.31Å; I37-Y41 PolarHBondContact O-N 3.06Å; Y38-Y41 PolarHBondContact O-N 2.95Å; Y39-Y41 PolarHBondContact O-N 2.94Å; Y41-R43 PolarHBondContact O-N 2.82Å; Y41-R44 PolarHBondContact O-N 3.32Å; Y41-T45 HydrophobicContact CD1-CG2 4.31Å; Y41-T45 HydrophobicContact CD2-CG2 4.11Å; Y41-T45 HydrophobicContact CE1-CG2 3.88Å; Y41-T45 HydrophobicContact CE2-CG2 3.66Å; Y41-T45 HydrophobicContact CG-CG2 4.42Å; Y41-T45 WeakPolarHBondContact O-CG2 3.43Å; Y41-T45 PolarHBondContact O-N 3.04Å; Y41-T45 PolarHBondContact O-OG1 3.41Å
42W97.5Very high95.3Very high58 Ų5878.1 Ų78.122%0.2235%0.354CS..Hα-helixtrans-66.8-35.7-179.2-81.9107.6000113.7Y38 Y39 R44 T45 L46 L88 K92Y38-W42 AromaticContact CD2-CD1 3.69Å; Y38-W42 AromaticContact CD2-NE1 3.75Å; Y38-W42 AromaticContact CE1-CD1 3.78Å; Y38-W42 AromaticContact CE2-CD1 3.32Å; Y38-W42 AromaticContact CE2-NE1 3.09Å; Y38-W42 AromaticContact CZ-CD1 3.34Å; Y38-W42 AromaticContact CZ-NE1 3.39Å; Y38-W42 PolarHBondContact O-N 3.4Å; Y39-W42 PolarHBondContact O-N 2.68Å; W42-R44 VanDerWaalsContact C-N 3.34Å; W42-R44 PolarHBondContact O-N 2.88Å; W42-T45 WeakPolarHBondContact CA-OG1 3.37Å; W42-T45 PolarHBondContact O-OG1 3.48Å; W42-L46 HydrophobicContact CE3-CD1 4.11Å; W42-L46 HydrophobicContact CE3-CD2 4.41Å; W42-L46 HydrophobicContact CE3-CG 4.1Å; W42-L46 VanDerWaalsContact O-CB 3.24Å; W42-L46 WeakPolarHBondContact O-CB 3.31Å; W42-L46 WeakPolarHBondContact O-CG 3.39Å; W42-L46 PolarHBondContact O-N 3.21Å; W42-L88 HydrophobicContact CB-CD1 3.87Å; W42-K92 HydrophobicContact CH2-CD 4.08Å; W42-K92 HydrophobicContact CZ3-CD 3.86Å; W42-K92 HydrophobicContact CZ3-CG 4.44Å
43R97.4Very high95.6Very high44 Ų4477 Ų7717%0.16635%0.348CS..Hα-helixtrans-57.8-50.1171-77.5-171.4-64.8-88.70.5110.7Y39 W40 Y41 L46 G47 M48 D85 L88Y39-R43 WeakPolarHBondContact O-CB 3.34Å; Y39-R43 WeakPolarHBondContact O-CG 3.26Å; Y39-R43 PolarHBondContact O-N 3.34Å; W40-R43 VanDerWaalsContact CA-NH2 3.29Å; W40-R43 PolarHBondContact O-N 3.04Å; Y41-R43 PolarHBondContact O-N 2.82Å; R43-L46 PolarHBondContact O-N 3.44Å; R43-G47 PolarHBondContact O-N 2.88Å; R43-G47 VanDerWaalsContact O-N 3.13Å; R43-M48 HydrophobicContact CB-CB 4.1Å; R43-M48 HydrophobicContact CG-CB 4.22Å; R43-M48 PolarHBondContact O-N 2.94Å; R43-D85 VanDerWaalsContact CD-OD1 3.24Å; R43-D85 WeakPolarHBondContact CD-OD1 3.36Å; R43-D85 WeakPolarHBondContact CG-OD1 3.4Å; R43-D85 IonicContact CZ-OD1 3.19Å; R43-D85 IonicContact CZ-OD2 2.66Å; R43-D85 IonicContact NH1-OD1 4Å; R43-D85 PolarHBondContact NH1-OD1 3.28Å; R43-D85 VanDerWaalsContact NH1-OD1 3.1Å; R43-D85 IonicContact NH1-OD2 3.96Å; R43-D85 PolarHBondContact NH1-OD2 3.47Å; R43-L88 HydrophobicContact CG-CD1 3.92Å; R43-L88 HydrophobicContact CG-CD2 4.16Å
44R96.1Very high95.9Very high180 Ų18080.8 Ų80.868%0.67936%0.359SS*.Hα-helixtrans-62.8-47-178-171.9173.6-178.3151.40.7112.2W40 Y41 W42 L46 G47W40-R44 PolarHBondContact O-N 2.92Å; W40-R44 VanDerWaalsContact O-N 3.08Å; Y41-R44 PolarHBondContact O-N 3.32Å; W42-R44 VanDerWaalsContact C-N 3.34Å; W42-R44 PolarHBondContact O-N 2.88Å; R44-L46 VanDerWaalsContact C-N 3.27Å; R44-L46 PolarHBondContact O-N 2.88Å; R44-G47 PolarHBondContact O-N 3.36Å
45T97.1Very high96.1Very high70 Ų7082 Ų8243%0.42936%0.363SS..Hα-helixtrans-65.8-30.5-179.956.10000112.9Y41 W42 G47Y41-T45 HydrophobicContact CD1-CG2 4.31Å; Y41-T45 HydrophobicContact CD2-CG2 4.11Å; Y41-T45 HydrophobicContact CE1-CG2 3.88Å; Y41-T45 HydrophobicContact CE2-CG2 3.66Å; Y41-T45 HydrophobicContact CG-CG2 4.42Å; Y41-T45 WeakPolarHBondContact O-CG2 3.43Å; Y41-T45 PolarHBondContact O-N 3.04Å; Y41-T45 PolarHBondContact O-OG1 3.41Å; W42-T45 WeakPolarHBondContact CA-OG1 3.37Å; W42-T45 PolarHBondContact O-OG1 3.48Å; T45-G47 VanDerWaalsContact C-N 3.34Å
46L97.4Very high95.9Very high24 Ų2489.1 Ų89.113%0.12640%0.396CS..THydrogen-bonded Turntrans-88.1-0.7178.3-62.8178.1000113.8W42 R43 R44 M48 R65 L88 V91 K92W42-L46 HydrophobicContact CE3-CD1 4.11Å; W42-L46 HydrophobicContact CE3-CD2 4.41Å; W42-L46 HydrophobicContact CE3-CG 4.1Å; W42-L46 VanDerWaalsContact O-CB 3.24Å; W42-L46 WeakPolarHBondContact O-CB 3.31Å; W42-L46 WeakPolarHBondContact O-CG 3.39Å; W42-L46 PolarHBondContact O-N 3.21Å; R43-L46 PolarHBondContact O-N 3.44Å; R44-L46 VanDerWaalsContact C-N 3.27Å; R44-L46 PolarHBondContact O-N 2.88Å; L46-M48 VanDerWaalsContact C-N 3.26Å; L46-M48 HydrophobicContact CB-CG 4.13Å; L46-M48 PolarHBondContact O-N 3.37Å; L46-R65 WeakPolarHBondContact O-CD 3.4Å; L46-L88 HydrophobicContact CD1-CB 4.09Å; L46-L88 HydrophobicContact CD1-CD2 4.08Å; L46-L88 WeakPolarHBondContact CD1-O 3.34Å; L46-V91 HydrophobicContact CB-CG1 4.4Å; L46-V91 HydrophobicContact CD1-CG1 4.3Å; L46-K92 HydrophobicContact CD1-CB 4.23Å; L46-K92 HydrophobicContact CD2-CB 3.97Å; L46-K92 HydrophobicContact CD2-CG 4.17Å
47G96.9Very high95.7Very high41 Ų4190 Ų9042%0.42341%0.412SS..THydrogen-bonded Turntrans70.221.9-177.500000113.8R43 R44 T45R43-G47 PolarHBondContact O-N 2.88Å; R43-G47 VanDerWaalsContact O-N 3.13Å; R44-G47 PolarHBondContact O-N 3.36Å; T45-G47 VanDerWaalsContact C-N 3.34Å
48M97.9Very high95.7Very high9 Ų985.9 Ų85.94%0.04439%0.39CS..  trans-82.7133.7174.9-61.3-69.7-65.700109.9R43 L46 S63 F64 R65 L88 V91R43-M48 HydrophobicContact CB-CB 4.1Å; R43-M48 HydrophobicContact CG-CB 4.22Å; R43-M48 PolarHBondContact O-N 2.94Å; L46-M48 VanDerWaalsContact C-N 3.26Å; L46-M48 HydrophobicContact CB-CG 4.13Å; L46-M48 PolarHBondContact O-N 3.37Å; M48-S63 VanDerWaalsContact CE-OG 3.31Å; M48-S63 WeakPolarHBondContact CE-OG 3.29Å; M48-F64 CarbonylContact C-O 3.58Å; M48-F64 WeakPolarHBondContact CA-O 3.34Å; M48-R65 HydrophobicContact SD-CB 3.42Å; M48-R65 WeakPolarHBondContact SD-CB 3.41Å; M48-R65 HydrophobicContact SD-CG 4.48Å; M48-L88 HydrophobicContact CB-CD2 4.4Å; M48-L88 HydrophobicContact CG-CD2 3.76Å; M48-V91 HydrophobicContact CG-CG1 4.27Å; M48-V91 HydrophobicContact SD-CG1 3.85Å
49Q97.3Very high95.8Very high109 Ų10982.6 Ų82.651%0.50938%0.379SS..EExtended strand (participates in β ladder)trans-116.9142.4174.9-64.4178.227.700109.6S63 F64Q49-S63 CarbonylContact O-C 3.46Å; Q49-S63 WeakPolarHBondContact O-CA 3.5Å; Q49-F64 HydrophobicContact CB-CD1 4.13Å; Q49-F64 HydrophobicContact CB-CE1 3.52Å; Q49-F64 HydrophobicContact CB-CZ 3.96Å; Q49-F64 PolarHBondContact N-O 2.79Å; Q49-F64 VanDerWaalsContact O-CD1 3.31Å; Q49-F64 WeakPolarHBondContact O-CD1 3.43Å; Q49-F64 PolarHBondContact O-N 2.81Å
50V98.1Very high95.9Very high57 Ų5780.6 Ų80.635%0.34537%0.371SS..EExtended strand (participates in β ladder)trans-91.7135174-179.10000109.1Y62V50-Y62 CarbonylContact C-O 3.59Å; V50-Y62 WeakPolarHBondContact CA-O 3.48Å
51R97.8Very high96Very high132 Ų13274.3 Ų74.350%0.49835%0.348SS..EExtended strand (participates in β ladder)trans-139.3166.7175.5-84.3-172.7-173.3-150-0.1110.9Y62 F64R51-Y62 HydrophobicContact CB-CD1 4.45Å; R51-Y62 HydrophobicContact CB-CE1 3.74Å; R51-Y62 HydrophobicContact CB-CE2 4.01Å; R51-Y62 VanDerWaalsContact CB-CZ 3.49Å; R51-Y62 WeakPolarHBondContact CB-OH 3.48Å; R51-Y62 PolarHBondContact N-O 3.19Å; R51-Y62 VanDerWaalsContact O-CD1 3.31Å; R51-Y62 WeakPolarHBondContact O-CD1 3.38Å; R51-Y62 PolarHBondContact O-N 3.33Å; R51-Y62 VanDerWaalsContact O-O 3.13Å; R51-F64 HydrophobicContact CB-CD1 4.41Å; R51-F64 HydrophobicContact CB-CE1 4.25Å; R51-F64 HydrophobicContact CG-CD1 4.28Å; R51-F64 HydrophobicContact CG-CE1 3.64Å
52Y98Very high96.1Very high120 Ų12069.2 Ų69.247%0.47133%0.328SS..EExtended strand (participates in β ladder)trans-119.3140.8175.8-58.3-84.3000109.5Q59 F60 C61Y52-Q59 HydrophobicContact CD1-CG 3.75Å; Y52-Q59 HydrophobicContact CG-CG 4.25Å; Y52-F60 CarbonylContact C-O 3.56Å; Y52-F60 VanDerWaalsContact CA-O 3.23Å; Y52-F60 WeakPolarHBondContact CA-O 3.39Å; Y52-C61 HydrophobicContact CD1-CB 3.94Å; Y52-C61 HydrophobicContact CE1-CB 3.72Å
53A97.1Very high96.1Very high11 Ų1166.5 Ų66.59%0.09132%0.317CS..EExtended strand (participates in β ladder)trans-120.5143.3169.700000108.4Q59 F60 Y62 F131 C134 L135A53-Q59 CarbonylContact O-C 3.6Å; A53-Q59 WeakPolarHBondContact O-CA 3.49Å; A53-F60 HydrophobicContact CB-CB 4.44Å; A53-F60 PolarHBondContact N-O 2.83Å; A53-F60 PolarHBondContact O-N 3.13Å; A53-Y62 HydrophobicContact CB-CE1 3.99Å; A53-F131 HydrophobicContact CB-CD2 4.38Å; A53-F131 HydrophobicContact CB-CE2 4.29Å; A53-C134 HydrophobicContact CB-CB 4.24Å; A53-L135 HydrophobicContact CB-CD2 3.9Å
54H95.7Very high96.2Very high114 Ų11465.7 Ų65.753%0.52832%0.315SS..EExtended strand (participates in β ladder)trans-119.7134.6-174.9-65.4-97.1000110.3Y58 Q59H54-Y58 WeakPolarHBondContact CA-O 3.49Å; H54-Q59 PolarHBondContact CE1-OE1 3.47Å; H54-Q59 VanDerWaalsContact CE1-OE1 3.24Å
55H91.7Very high96.2Very high60 Ų6058 Ų5828%0.27829%0.286SS..EExtended strand (participates in β ladder)trans-124.998.6167.1-171.384.7000106.9D57 Y58 F60H55-D57 PolarHBondContact O-N 3.23Å; H55-Y58 PolarHBondContact N-O 3.1Å; H55-Y58 WeakPolarHBondContact O-CB 3.35Å; H55-Y58 PolarHBondContact O-N 3.18Å; H55-F60 HydrophobicContact CB-CE2 4.16Å
56E89.6Confident96.1Very high171 Ų17156.3 Ų56.380%0.79928%0.283SS*.THydrogen-bonded Turntrans53-124.6-167.9-54.7178.8162.100110.3Y58E56-Y58 VanDerWaalsContact C-N 3.27Å; E56-Y58 PolarHBondContact O-N 2.86Å
57D88.6Confident95.9Very high161 Ų16165.5 Ų65.586%0.86132%0.316SS*.THydrogen-bonded Turntrans-81.5-2.9178.6-62-37.5000113.7H55H55-D57 PolarHBondContact O-N 3.23Å
58Y92.6Very high95.7Very high12 Ų1268.2 Ų68.25%0.04733%0.326CS..EExtended strand (participates in β ladder)trans-91.2122.9-179.2-159.4-84.9000111.4H54 H55 E56 F60 P106 T111 T112H54-Y58 WeakPolarHBondContact CA-O 3.49Å; H55-Y58 PolarHBondContact N-O 3.1Å; H55-Y58 WeakPolarHBondContact O-CB 3.35Å; H55-Y58 PolarHBondContact O-N 3.18Å; E56-Y58 VanDerWaalsContact C-N 3.27Å; E56-Y58 PolarHBondContact O-N 2.86Å; Y58-F60 HydrophobicContact CD1-CD1 4.13Å; Y58-F60 AromaticContact CD1-CD2 3.99Å; Y58-F60 HydrophobicContact CD1-CD2 3.99Å; Y58-F60 AromaticContact CD1-CE1 3.73Å; Y58-F60 HydrophobicContact CD1-CE1 3.73Å; Y58-F60 AromaticContact CD1-CE2 3.58Å; Y58-F60 HydrophobicContact CD1-CE2 3.58Å; Y58-F60 HydrophobicContact CD1-CG 4.26Å; Y58-F60 AromaticContact CD1-CZ 3.44Å; Y58-F60 HydrophobicContact CD1-CZ 3.44Å; Y58-F60 VanDerWaalsContact CD1-CZ 3.44Å; Y58-F60 AromaticContact CE1-CD1 3.7Å; Y58-F60 HydrophobicContact CE1-CD1 3.7Å; Y58-F60 HydrophobicContact CE1-CD2 4.39Å; Y58-F60 AromaticContact CE1-CE1 3.33Å; Y58-F60 HydrophobicContact CE1-CE1 3.33Å; Y58-F60 HydrophobicContact CE1-CE2 4.09Å; Y58-F60 HydrophobicContact CE1-CG 4.22Å; Y58-F60 AromaticContact CE1-CZ 3.55Å; Y58-F60 HydrophobicContact CE1-CZ 3.55Å; Y58-P106 WeakPolarHBondContact OH-CB 3.31Å; Y58-T111 HydrophobicContact CE1-CG2 3.74Å; Y58-T111 WeakPolarHBondContact OH-CG2 3.42Å; Y58-T112 HydrophobicContact CD2-CG2 4.11Å; Y58-T112 HydrophobicContact CE2-CG2 4.23Å; Y58-T112 PolarHBondContact OH-O 3.09Å; Y58-T112 VanDerWaalsContact OH-O 3.06Å
59Q96Very high95.2Very high56 Ų5669.8 Ų69.826%0.26234%0.344SS..EExtended strand (participates in β ladder)trans-107.8127.2178.8-176-173.7-91.500110.8Y52 A53 H54 G110 T111 T112Y52-Q59 HydrophobicContact CD1-CG 3.75Å; Y52-Q59 HydrophobicContact CG-CG 4.25Å; A53-Q59 CarbonylContact O-C 3.6Å; A53-Q59 WeakPolarHBondContact O-CA 3.49Å; H54-Q59 PolarHBondContact CE1-OE1 3.47Å; H54-Q59 VanDerWaalsContact CE1-OE1 3.24Å; Q59-G110 PolarHBondContact NE2-O 2.89Å; Q59-T111 CarbonylContact O-C 3.47Å; Q59-T111 WeakPolarHBondContact O-CA 3.3Å; Q59-T111 WeakPolarHBondContact O-CG2 3.28Å; Q59-T112 WeakPolarHBondContact CB-OG1 3.28Å; Q59-T112 PolarHBondContact N-OG1 3.42Å; Q59-T112 PolarHBondContact O-N 3.01Å; Q59-T112 PolarHBondContact O-OG1 3.25Å
60F97.9Very high94.7Very high1 Ų173.6 Ų73.60%0.00436%0.361CS..EExtended strand (participates in β ladder)trans-99.3126.6169.5-59.4-85.7000110.3Y52 A53 H55 Y58 T111 R127 Q130 F131Y52-F60 CarbonylContact C-O 3.56Å; Y52-F60 VanDerWaalsContact CA-O 3.23Å; Y52-F60 WeakPolarHBondContact CA-O 3.39Å; A53-F60 HydrophobicContact CB-CB 4.44Å; A53-F60 PolarHBondContact N-O 2.83Å; A53-F60 PolarHBondContact O-N 3.13Å; H55-F60 HydrophobicContact CB-CE2 4.16Å; Y58-F60 HydrophobicContact CD1-CD1 4.13Å; Y58-F60 AromaticContact CD1-CD2 3.99Å; Y58-F60 HydrophobicContact CD1-CD2 3.99Å; Y58-F60 AromaticContact CD1-CE1 3.73Å; Y58-F60 HydrophobicContact CD1-CE1 3.73Å; Y58-F60 AromaticContact CD1-CE2 3.58Å; Y58-F60 HydrophobicContact CD1-CE2 3.58Å; Y58-F60 HydrophobicContact CD1-CG 4.26Å; Y58-F60 AromaticContact CD1-CZ 3.44Å; Y58-F60 HydrophobicContact CD1-CZ 3.44Å; Y58-F60 VanDerWaalsContact CD1-CZ 3.44Å; Y58-F60 AromaticContact CE1-CD1 3.7Å; Y58-F60 HydrophobicContact CE1-CD1 3.7Å; Y58-F60 HydrophobicContact CE1-CD2 4.39Å; Y58-F60 AromaticContact CE1-CE1 3.33Å; Y58-F60 HydrophobicContact CE1-CE1 3.33Å; Y58-F60 HydrophobicContact CE1-CE2 4.09Å; Y58-F60 HydrophobicContact CE1-CG 4.22Å; Y58-F60 AromaticContact CE1-CZ 3.55Å; Y58-F60 HydrophobicContact CE1-CZ 3.55Å; F60-T111 HydrophobicContact CD1-CG2 4.1Å; F60-R127 HydrophobicContact CE1-CB 4.42Å; F60-R127 VanDerWaalsContact CE1-O 3.3Å; F60-R127 WeakPolarHBondContact CE1-O 3.32Å; F60-R127 VanDerWaalsContact CZ-O 3.28Å; F60-R127 WeakPolarHBondContact CZ-O 3.25Å; F60-Q130 HydrophobicContact CZ-CB 4.13Å; F60-F131 HydrophobicContact CB-CD2 3.42Å; F60-F131 VanDerWaalsContact CB-CD2 3.42Å; F60-F131 HydrophobicContact CB-CE2 3.8Å; F60-F131 HydrophobicContact CB-CG 4.36Å; F60-F131 HydrophobicContact CD1-CB 3.78Å; F60-F131 AromaticContact CD1-CD2 4Å; F60-F131 HydrophobicContact CD1-CD2 4Å; F60-F131 HydrophobicContact CD1-CG 4.14Å; F60-F131 HydrophobicContact CD2-CB 4.19Å; F60-F131 AromaticContact CD2-CD2 3.97Å; F60-F131 HydrophobicContact CD2-CD2 3.97Å; F60-F131 HydrophobicContact CE1-CB 3.76Å; F60-F131 HydrophobicContact CE2-CB 4.17Å; F60-F131 HydrophobicContact CG-CB 3.99Å; F60-F131 AromaticContact CG-CD2 3.54Å; F60-F131 HydrophobicContact CG-CD2 3.54Å; F60-F131 HydrophobicContact CG-CE2 4.4Å; F60-F131 HydrophobicContact CG-CG 4.12Å; F60-F131 HydrophobicContact CZ-CB 3.96Å
61C98.4Very high94.4Very high3 Ų376.1 Ų76.12%0.0237%0.368CS..EExtended strand (participates in β ladder)trans-95.9129.5170.3-178.20000109.9Y52 D104 G110 T111Y52-C61 HydrophobicContact CD1-CB 3.94Å; Y52-C61 HydrophobicContact CE1-CB 3.72Å; C61-D104 HydrophobicContact CB-CB 4.41Å; C61-D104 WeakPolarHBondContact O-CB 3.24Å; C61-D104 PolarHBondContact O-N 2.86Å; C61-D104 PolarHBondContact SG-OD2 3.03Å; C61-D104 VanDerWaalsContact SG-OD2 3.4Å; C61-G110 VanDerWaalsContact CB-O 3.29Å; C61-G110 WeakPolarHBondContact CB-O 3.34Å; C61-T111 PolarHBondContact N-OG1 3.39Å
62Y98.6Very high94.3Very high21 Ų2171 Ų718%0.08235%0.352CS..EExtended strand (participates in β ladder)trans-146160.817968.8-80.2000111.1V50 R51 A53 F64 V101 C102 F131 L135V50-Y62 CarbonylContact C-O 3.59Å; V50-Y62 WeakPolarHBondContact CA-O 3.48Å; R51-Y62 HydrophobicContact CB-CD1 4.45Å; R51-Y62 HydrophobicContact CB-CE1 3.74Å; R51-Y62 HydrophobicContact CB-CE2 4.01Å; R51-Y62 VanDerWaalsContact CB-CZ 3.49Å; R51-Y62 WeakPolarHBondContact CB-OH 3.48Å; R51-Y62 PolarHBondContact N-O 3.19Å; R51-Y62 VanDerWaalsContact O-CD1 3.31Å; R51-Y62 WeakPolarHBondContact O-CD1 3.38Å; R51-Y62 PolarHBondContact O-N 3.33Å; R51-Y62 VanDerWaalsContact O-O 3.13Å; A53-Y62 HydrophobicContact CB-CE1 3.99Å; Y62-F64 HydrophobicContact CD2-CB 4.19Å; Y62-F64 HydrophobicContact CD2-CD1 4.45Å; Y62-F64 HydrophobicContact CE2-CB 4.07Å; Y62-F64 AromaticContact CE2-CD1 3.9Å; Y62-F64 HydrophobicContact CE2-CD1 3.9Å; Y62-F64 HydrophobicContact CE2-CG 4.19Å; Y62-V101 HydrophobicContact CD2-CG1 3.93Å; Y62-C102 CarbonylContact C-O 3.58Å; Y62-C102 VanDerWaalsContact CA-O 3.26Å; Y62-C102 WeakPolarHBondContact CA-O 3.43Å; Y62-C102 WeakPolarHBondContact CB-O 3.33Å; Y62-F131 AromaticContact CD1-CE2 3.56Å; Y62-F131 HydrophobicContact CD1-CE2 3.56Å; Y62-F131 AromaticContact CD1-CZ 3.84Å; Y62-F131 HydrophobicContact CD1-CZ 3.84Å; Y62-F131 HydrophobicContact CD2-CZ 4.23Å; Y62-F131 HydrophobicContact CE1-CE2 4.12Å; Y62-F131 AromaticContact CG-CE2 3.9Å; Y62-F131 HydrophobicContact CG-CE2 3.9Å; Y62-F131 AromaticContact CG-CZ 3.66Å; Y62-F131 HydrophobicContact CG-CZ 3.66Å; Y62-L135 HydrophobicContact CD2-CD1 4.39Å; Y62-L135 HydrophobicContact CE1-CD1 4.46Å; Y62-L135 HydrophobicContact CE1-CD2 3.93Å; Y62-L135 HydrophobicContact CE2-CD1 4.11Å; Y62-L135 HydrophobicContact CE2-CD2 4.39Å; Y62-L135 WeakPolarHBondContact OH-CD2 3.38Å
63S98.3Very high94.3Very high0 Ų065.9 Ų65.90%033%0.334CS..EExtended strand (participates in β ladder)trans-115.7144.7169.964.90000109.4M48 Q49 C102M48-S63 VanDerWaalsContact CE-OG 3.31Å; M48-S63 WeakPolarHBondContact CE-OG 3.29Å; Q49-S63 CarbonylContact O-C 3.46Å; Q49-S63 WeakPolarHBondContact O-CA 3.5Å; S63-C102 PolarHBondContact N-O 2.86Å; S63-C102 PolarHBondContact O-N 2.84Å
64F98.4Very high94.4Very high28 Ų2865.4 Ų65.412%0.12333%0.33CS..EExtended strand (participates in β ladder)trans-142.6157.1-17877.9-74.1000112M48 Q49 R51 Y62 L100 V101M48-F64 CarbonylContact C-O 3.58Å; M48-F64 WeakPolarHBondContact CA-O 3.34Å; Q49-F64 HydrophobicContact CB-CD1 4.13Å; Q49-F64 HydrophobicContact CB-CE1 3.52Å; Q49-F64 HydrophobicContact CB-CZ 3.96Å; Q49-F64 PolarHBondContact N-O 2.79Å; Q49-F64 VanDerWaalsContact O-CD1 3.31Å; Q49-F64 WeakPolarHBondContact O-CD1 3.43Å; Q49-F64 PolarHBondContact O-N 2.81Å; R51-F64 HydrophobicContact CB-CD1 4.41Å; R51-F64 HydrophobicContact CB-CE1 4.25Å; R51-F64 HydrophobicContact CG-CD1 4.28Å; R51-F64 HydrophobicContact CG-CE1 3.64Å; Y62-F64 HydrophobicContact CD2-CB 4.19Å; Y62-F64 HydrophobicContact CD2-CD1 4.45Å; Y62-F64 HydrophobicContact CE2-CB 4.07Å; Y62-F64 AromaticContact CE2-CD1 3.9Å; Y62-F64 HydrophobicContact CE2-CD1 3.9Å; Y62-F64 HydrophobicContact CE2-CG 4.19Å; F64-L100 CarbonylContact C-O 3.59Å; F64-L100 WeakPolarHBondContact CA-O 3.34Å; F64-L100 VanDerWaalsContact CB-O 3.27Å; F64-L100 WeakPolarHBondContact CB-O 3.38Å; F64-V101 HydrophobicContact CB-CG2 4.42Å
65R97.4Very high94.6Very high18 Ų1860 Ų607%0.06831%0.305CS..EExtended strand (participates in β ladder)trans-139.5138.8172.4176.7-17985.9179.54.5109.9L46 M48 V91 L94 P95 H99 L100L46-R65 WeakPolarHBondContact O-CD 3.4Å; M48-R65 HydrophobicContact SD-CB 3.42Å; M48-R65 WeakPolarHBondContact SD-CB 3.41Å; M48-R65 HydrophobicContact SD-CG 4.48Å; R65-V91 PolarHBondContact NH1-O 2.85Å; R65-L94 PolarHBondContact NH2-O 2.95Å; R65-P95 PolarHBondContact NH2-O 3.49Å; R65-H99 CarbonylContact O-C 3.59Å; R65-H99 WeakPolarHBondContact O-CA 3.41Å; R65-H99 PolarHBondContact O-CD2 3.16Å; R65-L100 HydrophobicContact CB-CB 4.45Å; R65-L100 PolarHBondContact N-O 3.44Å; R65-L100 PolarHBondContact O-N 3.18Å
66G95.1Very high94.9Very high35 Ų3557.2 Ų57.236%0.36129%0.292SS..SBendtrans81.9-165.8-178.800000112.6
67R93.4Very high95.4Very high217 Ų21749 Ų4982%0.81925%0.253SS*.  trans-138.3152177.7-64.7-177.4-178.6179.60.2109.4G69 H99R67-G69 PolarHBondContact O-N 2.85Å; R67-H99 VanDerWaalsContact C-CG 3.48Å; R67-H99 WeakPolarHBondContact O-CB 3.28Å
68P92.2Very high95.8Very high98 Ų9841.4 Ų41.464%0.63621%0.212SC*.  trans-51.6133.2172.2-24.132.5000111
69G87.4Confident96.1Very high41 Ų4141 Ų4142%0.42321%0.213SC..  trans-140.5-151.9-175.100000112.5R67R67-G69 PolarHBondContact O-N 2.85Å
70H87Confident96.1Very high189 Ų18939.3 Ų39.388%0.87520%0.204SC*.SBendtrans-73.9-35173.7-66.2-3.9000112.2
71K91.6Very high96Very high110 Ų11039.4 Ų39.448%0.47821%0.205SC..SBendtrans-74137.1170.7-63.4-174.6179.6-176.40109.3N97 L98K71-N97 PolarHBondContact NZ-ND2 2.66Å; K71-L98 HydrophobicContact CD-CD2 4.23Å
72P96.2Very high95.8Very high26 Ų2640 Ų4017%0.16921%0.211CC..PPolyproline II helixtrans-53147172.6-27.436.7000112.3P141 H328P72-P141 WeakPolarHBondContact CB-O 3.43Å; P72-H328 WeakPolarHBondContact CD-NE2 3.24Å; P72-H328 VanDerWaalsContact CG-NE2 3.27Å; P72-H328 WeakPolarHBondContact CG-NE2 3.38Å
73S98.1Very high95.7Very high12 Ų1240.4 Ų40.48%0.08421%0.213CC..PPolyproline II helixtrans-69.3160.4172.5-54.50000110.3H99 F142 H143S73-H99 WeakPolarHBondContact CB-ND1 3.49Å; S73-H99 PolarHBondContact OG-ND1 3.22Å; S73-F142 WeakPolarHBondContact O-CB 3.17Å; S73-H143 PolarHBondContact O-N 2.85Å
74I98.8Very high95.7Very high1 Ų141.2 Ų41.21%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-120.1115.6175.3-53.1174.9000108.5M76 L98 H99 L100 V101 H143 I145 L324I74-M76 HydrophobicContact CG2-CE 4.19Å; I74-M76 HydrophobicContact CG2-CG 4.12Å; I74-L98 HydrophobicContact CD1-CB 4.38Å; I74-L98 HydrophobicContact CD1-CD1 3.88Å; I74-L98 HydrophobicContact CD1-CD2 4.44Å; I74-L98 HydrophobicContact CD1-CG 4.46Å; I74-H99 PolarHBondContact N-O 3.19Å; I74-L100 HydrophobicContact CB-CD2 3.95Å; I74-L100 HydrophobicContact CD1-CD2 3.68Å; I74-L100 HydrophobicContact CG1-CD2 4.19Å; I74-V101 PolarHBondContact O-N 2.86Å; I74-H143 CarbonylContact C-O 3.57Å; I74-H143 WeakPolarHBondContact CA-O 3.24Å; I74-H143 HydrophobicContact CG1-CB 4.17Å; I74-H143 HydrophobicContact CG2-CB 4.43Å; I74-I145 HydrophobicContact CG2-CD1 3.52Å; I74-I145 HydrophobicContact CG2-CG1 3.92Å; I74-L324 HydrophobicContact CD1-CD1 3.36Å; I74-L324 HydrophobicContact CG1-CD1 4.01Å
75L98.9Very high95.6Very high1 Ų140.3 Ų40.31%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-97.2129.2172.317858.5000109.7L77 V101 V103 V128 F131 V132 F142 H143 L144 I145L75-L77 HydrophobicContact CD1-CD2 4.21Å; L75-L77 HydrophobicContact CD2-CD2 4.24Å; L75-L77 HydrophobicContact CG-CD2 3.96Å; L75-V101 CarbonylContact C-O 3.57Å; L75-V101 WeakPolarHBondContact CA-O 3.37Å; L75-V101 HydrophobicContact CD1-CB 4.16Å; L75-V101 HydrophobicContact CD1-CG1 3.89Å; L75-V103 HydrophobicContact CD1-CG1 4.31Å; L75-V128 HydrophobicContact CD2-CG1 4.39Å; L75-F131 HydrophobicContact CD1-CD1 4.46Å; L75-F131 HydrophobicContact CD1-CE1 3.88Å; L75-V132 HydrophobicContact CD2-CG2 3.66Å; L75-F142 HydrophobicContact CB-CD2 3.89Å; L75-F142 HydrophobicContact CB-CE2 3.81Å; L75-F142 HydrophobicContact CD2-CE2 3.84Å; L75-F142 HydrophobicContact CD2-CZ 4.22Å; L75-F142 HydrophobicContact CG-CE2 4.45Å; L75-H143 PolarHBondContact N-O 2.82Å; L75-L144 HydrophobicContact CB-CD1 4.1Å; L75-L144 HydrophobicContact CD2-CD1 3.97Å; L75-L144 HydrophobicContact CG-CD1 3.93Å; L75-I145 PolarHBondContact O-N 2.98Å
76M98.9Very high95.6Very high0 Ų040.9 Ų40.90%022%0.217CC..EExtended strand (participates in β ladder)trans-121.2120.8-175.4-75.2175.1-91.500111.5I74 W87 V91 L100 V101 C102 V103 I145I74-M76 HydrophobicContact CG2-CE 4.19Å; I74-M76 HydrophobicContact CG2-CG 4.12Å; M76-W87 HydrophobicContact CB-CD2 3.86Å; M76-W87 HydrophobicContact CB-CG 4.04Å; M76-W87 HydrophobicContact CB-CZ2 4.1Å; M76-W87 HydrophobicContact CG-CD2 4.17Å; M76-W87 HydrophobicContact CG-CE3 4.33Å; M76-W87 HydrophobicContact SD-CB 4.28Å; M76-W87 HydrophobicContact SD-CD2 3.9Å; M76-W87 HydrophobicContact SD-CE3 3.84Å; M76-W87 HydrophobicContact SD-CG 4.1Å; M76-W87 HydrophobicContact SD-CZ3 4.47Å; M76-V91 HydrophobicContact CE-CG2 4.48Å; M76-L100 HydrophobicContact CE-CB 3.75Å; M76-L100 HydrophobicContact CE-CD1 4.3Å; M76-L100 HydrophobicContact CE-CD2 3.89Å; M76-L100 HydrophobicContact CE-CG 4.19Å; M76-V101 PolarHBondContact N-O 3.18Å; M76-C102 VanDerWaalsContact CE-SG 3.54Å; M76-V103 PolarHBondContact O-N 3.41Å; M76-I145 CarbonylContact C-O 3.5Å; M76-I145 WeakPolarHBondContact CA-O 3.14Å; M76-I145 HydrophobicContact CG-CB 4.09Å; M76-I145 HydrophobicContact CG-CD1 4.37Å
77L98.9Very high95.8Very high0 Ų039.2 Ų39.20%020%0.2CC..EExtended strand (participates in β ladder)trans-107.9116.6-178-50.9-169.9000110.6L75 W87 V103 M105 V128 L144 I145 G146 T147 V153 A154L75-L77 HydrophobicContact CD1-CD2 4.21Å; L75-L77 HydrophobicContact CD2-CD2 4.24Å; L75-L77 HydrophobicContact CG-CD2 3.96Å; L77-W87 WeakPolarHBondContact O-CZ2 3.45Å; L77-V103 HydrophobicContact CD2-CG1 3.58Å; L77-M105 HydrophobicContact CB-SD 3.76Å; L77-M105 HydrophobicContact CD1-CE 4.4Å; L77-M105 HydrophobicContact CD1-SD 4.2Å; L77-M105 HydrophobicContact CD2-SD 3.79Å; L77-M105 HydrophobicContact CG-SD 4.11Å; L77-V128 HydrophobicContact CD1-CG1 4.29Å; L77-V128 HydrophobicContact CD1-CG2 4.49Å; L77-V128 HydrophobicContact CD2-CG1 4.27Å; L77-L144 HydrophobicContact CD1-CD1 4.02Å; L77-L144 HydrophobicContact CD2-CD1 4.41Å; L77-L144 HydrophobicContact CG-CD1 3.93Å; L77-I145 PolarHBondContact N-O 3.14Å; L77-G146 WeakPolarHBondContact O-CA 3.47Å; L77-T147 PolarHBondContact O-N 2.94Å; L77-T147 VanDerWaalsContact O-N 3.15Å; L77-V153 HydrophobicContact CD1-CB 4.35Å; L77-V153 HydrophobicContact CD1-CG1 4.05Å; L77-A154 HydrophobicContact CD1-CB 4.12Å
78H98.6Very high96Very high0 Ų029.4 Ų29.40%016%0.163CC..  trans-77.4166.2-178.46973000113.2A82 M86 V103 M105 H108 G150H78-A82 HydrophobicContact CB-CB 4.22Å; H78-A82 VanDerWaalsContact CE1-C 3.48Å; H78-A82 PolarHBondContact CE1-O 2.95Å; H78-A82 PolarHBondContact ND1-O 2.94Å; H78-M86 HydrophobicContact CB-CE 4.17Å; H78-V103 PolarHBondContact CD2-O 3.19Å; H78-M105 PolarHBondContact NE2-N 3.07Å; H78-H108 AromaticContact CE1-CD2 3.61Å; H78-H108 AromaticContact CE1-CG 3.58Å; H78-G150 VanDerWaalsContact O-CA 3.29Å; H78-G150 WeakPolarHBondContact O-CA 3.41Å; H78-G150 PolarHBondContact O-N 3.09Å
79G97.4Very high96.2Very high5 Ų526 Ų265%0.05214%0.142CC..  trans-75.6174.7178.100000114.3A82 T147G79-A82 WeakPolarHBondContact O-CB 3.32Å; G79-A82 PolarHBondContact O-N 3.24Å; G79-T147 VanDerWaalsContact CA-O 3.32Å; G79-T147 WeakPolarHBondContact CA-O 3.29Å; G79-T147 PolarHBondContact N-O 2.82Å
80F96.9Very high96.8Very high20 Ų2024 Ų249%0.08812%0.122CC..THydrogen-bonded Turntrans-57.2139.4179.3172.1-98.7000110.9A82 M149 L202 I203 Y243 L246 F247 I250F80-A82 PolarHBondContact O-N 2.86Å; F80-M149 HydrophobicContact CB-CB 3.89Å; F80-M149 HydrophobicContact CB-CG 4.42Å; F80-M149 HydrophobicContact CB-SD 3.92Å; F80-M149 HydrophobicContact CD2-SD 4.06Å; F80-L202 HydrophobicContact CD1-CB 3.98Å; F80-L202 HydrophobicContact CD1-CD1 4.32Å; F80-L202 HydrophobicContact CE1-CB 3.99Å; F80-I203 HydrophobicContact CE1-CD1 4.09Å; F80-I203 HydrophobicContact CE1-CG1 3.68Å; F80-I203 HydrophobicContact CZ-CD1 3.77Å; F80-I203 HydrophobicContact CZ-CG1 3.85Å; F80-Y243 WeakPolarHBondContact CE2-O 3.46Å; F80-Y243 VanDerWaalsContact CZ-O 3.3Å; F80-Y243 WeakPolarHBondContact CZ-O 3.31Å; F80-L246 HydrophobicContact CE2-CB 4.48Å; F80-L246 HydrophobicContact CE2-CD2 4.46Å; F80-L246 HydrophobicContact CE2-CG 4.32Å; F80-F247 HydrophobicContact CD1-CD2 4.08Å; F80-F247 HydrophobicContact CD2-CD2 4.46Å; F80-F247 HydrophobicContact CE1-CB 4.37Å; F80-F247 AromaticContact CE1-CD2 3.71Å; F80-F247 HydrophobicContact CE1-CD2 3.71Å; F80-F247 HydrophobicContact CE1-CG 4.44Å; F80-F247 HydrophobicContact CE2-CB 3.79Å; F80-F247 HydrophobicContact CE2-CD2 4.12Å; F80-F247 HydrophobicContact CE2-CG 4.48Å; F80-F247 HydrophobicContact CG-CD2 4.45Å; 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 3.95Å
81S94.6Very high97.3Very high2 Ų215 Ų151%0.0148%0.08CC..THydrogen-bonded Turntrans60.43.6179.677.30000115.5H108 L202 R236S81-H108 PolarHBondContact N-NE2 2.89Å; S81-L202 PolarHBondContact OG-O 3.4Å; S81-R236 PolarHBondContact O-NH1 3.35Å; S81-R236 PolarHBondContact O-NH2 2.96Å; S81-R236 PolarHBondContact OG-NH2 3Å
82A95.6Very high97.6Very high17 Ų1715 Ų1514%0.148%0.08CC..  trans-88.7-166.7173.600000110.5H78 G79 F80 M86 H108H78-A82 HydrophobicContact CB-CB 4.22Å; H78-A82 VanDerWaalsContact CE1-C 3.48Å; H78-A82 PolarHBondContact CE1-O 2.95Å; H78-A82 PolarHBondContact ND1-O 2.94Å; G79-A82 WeakPolarHBondContact O-CB 3.32Å; G79-A82 PolarHBondContact O-N 3.24Å; F80-A82 PolarHBondContact O-N 2.86Å; A82-M86 HydrophobicContact CB-SD 3.95Å; A82-H108 PolarHBondContact O-CD2 3.28Å
83H96.6Very high97.7Very high28 Ų2817.6 Ų17.613%0.139%0.089CC..  trans-152.1168.8179.25791.6000111.2Y39 D85 M86 E109Y39-H83 AromaticContact CE1-CE1 3.87Å; Y39-H83 AromaticContact CE2-CE1 3.48Å; Y39-H83 VanDerWaalsContact CE2-CE1 3.48Å; Y39-H83 WeakPolarHBondContact CE2-CE1 3.46Å; Y39-H83 AromaticContact CE2-NE2 3.71Å; Y39-H83 AromaticContact CZ-CE1 3.4Å; Y39-H83 AromaticContact CZ-NE2 3.67Å; Y39-H83 PolarHBondContact OH-NE2 3.25Å; H83-D85 WeakPolarHBondContact ND1-CB 3.34Å; H83-D85 PolarHBondContact ND1-N 3.43Å; H83-D85 IonicContact ND1-OD2 3.83Å; H83-D85 PolarHBondContact O-N 2.85Å; H83-M86 VanDerWaalsContact O-CB 3.23Å; H83-M86 WeakPolarHBondContact O-CB 3.35Å; H83-M86 PolarHBondContact O-N 3.26Å; H83-E109 HydrophobicContact CB-CB 4.5Å; H83-E109 HydrophobicContact CB-CG 3.39Å
84K97.6Very high97.7Very high17 Ų1717.5 Ų17.57%0.0749%0.087CC..G310 helixtrans-54.1-30.9-17668.5-165.8169.8-67.70114.8M86 W87 C102 D104K84-M86 PolarHBondContact O-N 3.18Å; K84-W87 PolarHBondContact O-N 3.25Å; K84-C102 HydrophobicContact CB-CB 3.96Å; K84-C102 WeakPolarHBondContact CB-O 3.24Å; K84-D104 VanDerWaalsContact CB-OD1 3.26Å; K84-D104 WeakPolarHBondContact CB-OD1 3.27Å; K84-D104 WeakPolarHBondContact CD-OD1 3.24Å; K84-D104 WeakPolarHBondContact CG-OD1 3.36Å; K84-D104 PolarHBondContact N-OD1 3.4Å; K84-D104 VanDerWaalsContact NZ-CG 3.28Å; K84-D104 IonicContact NZ-OD1 3.1Å; K84-D104 PolarHBondContact NZ-OD1 3.22Å; K84-D104 IonicContact NZ-OD2 2.72Å; K84-D104 PolarHBondContact NZ-OD2 3.4Å
85D97.5Very high97.6Very high10 Ų1019.8 Ų19.85%0.05310%0.102CC..G310 helixtrans-75.9-8.7-177.9-57.9-58.6000113.4Y39 R43 H83 W87 L88Y39-D85 HydrophobicContact CD1-CB 3.67Å; Y39-D85 HydrophobicContact CE1-CB 4.06Å; Y39-D85 HydrophobicContact CG-CB 4.13Å; R43-D85 VanDerWaalsContact CD-OD1 3.24Å; R43-D85 WeakPolarHBondContact CD-OD1 3.36Å; R43-D85 WeakPolarHBondContact CG-OD1 3.4Å; R43-D85 IonicContact CZ-OD1 3.19Å; R43-D85 IonicContact CZ-OD2 2.66Å; R43-D85 IonicContact NH1-OD1 4Å; R43-D85 PolarHBondContact NH1-OD1 3.28Å; R43-D85 VanDerWaalsContact NH1-OD1 3.1Å; R43-D85 IonicContact NH1-OD2 3.96Å; R43-D85 PolarHBondContact NH1-OD2 3.47Å; H83-D85 WeakPolarHBondContact ND1-CB 3.34Å; H83-D85 PolarHBondContact ND1-N 3.43Å; H83-D85 IonicContact ND1-OD2 3.83Å; H83-D85 PolarHBondContact O-N 2.85Å; D85-W87 PolarHBondContact O-N 2.88Å; D85-L88 HydrophobicContact CB-CD1 3.71Å; D85-L88 HydrophobicContact CB-CG 4.03Å; D85-L88 WeakPolarHBondContact O-CB 3.27Å; D85-L88 VanDerWaalsContact O-CG 3.27Å; D85-L88 WeakPolarHBondContact O-CG 3.21Å; D85-L88 PolarHBondContact O-N 2.9Å
86M96.8Very high97.3Very high30 Ų3028.7 Ų28.715%0.14814%0.141CC..G310 helixtrans-53.3-34167.6-171.8-169.682.200111.1H78 A82 H83 K84 L88 S89 T147 V309 M310H78-M86 HydrophobicContact CB-CE 4.17Å; A82-M86 HydrophobicContact CB-SD 3.95Å; H83-M86 VanDerWaalsContact O-CB 3.23Å; H83-M86 WeakPolarHBondContact O-CB 3.35Å; H83-M86 PolarHBondContact O-N 3.26Å; K84-M86 PolarHBondContact O-N 3.18Å; M86-L88 VanDerWaalsContact C-N 3.27Å; M86-L88 PolarHBondContact O-N 3.45Å; M86-S89 PolarHBondContact O-OG 3.16Å; M86-T147 HydrophobicContact CE-CG2 3.22Å; M86-T147 HydrophobicContact SD-CG2 4.44Å; M86-V309 HydrophobicContact CE-CG2 3.49Å; M86-V309 VanDerWaalsContact CE-CG2 3.49Å; M86-V309 HydrophobicContact CG-CG2 4.07Å; M86-V309 HydrophobicContact SD-CG2 4.03Å; M86-M310 HydrophobicContact CG-CG 4.5Å; M86-M310 HydrophobicContact CG-SD 4.24Å
87W98.4Very high97.1Very high0 Ų034 Ų340%017%0.169CC..G310 helixtrans-71.9-14179.6-66.5109.6000114.2M76 L77 K84 D85 S89 V90 V91 C102 I145 T147 V309M76-W87 HydrophobicContact CB-CD2 3.86Å; M76-W87 HydrophobicContact CB-CG 4.04Å; M76-W87 HydrophobicContact CB-CZ2 4.1Å; M76-W87 HydrophobicContact CG-CD2 4.17Å; M76-W87 HydrophobicContact CG-CE3 4.33Å; M76-W87 HydrophobicContact SD-CB 4.28Å; M76-W87 HydrophobicContact SD-CD2 3.9Å; M76-W87 HydrophobicContact SD-CE3 3.84Å; M76-W87 HydrophobicContact SD-CG 4.1Å; M76-W87 HydrophobicContact SD-CZ3 4.47Å; L77-W87 WeakPolarHBondContact O-CZ2 3.45Å; K84-W87 PolarHBondContact O-N 3.25Å; D85-W87 PolarHBondContact O-N 2.88Å; W87-S89 PolarHBondContact O-N 3.32Å; W87-S89 VanDerWaalsContact O-N 3.17Å; W87-V90 HydrophobicContact CE3-CG2 4.46Å; W87-V90 PolarHBondContact O-N 3.33Å; W87-V91 HydrophobicContact CB-CG2 4.31Å; W87-V91 WeakPolarHBondContact O-CB 3.16Å; W87-V91 WeakPolarHBondContact O-CG2 3.36Å; W87-V91 PolarHBondContact O-N 3.15Å; W87-C102 HydrophobicContact CB-CB 4.5Å; W87-I145 HydrophobicContact CH2-CG2 3.76Å; W87-I145 HydrophobicContact CZ3-CG2 4.2Å; W87-T147 HydrophobicContact CH2-CG2 4.12Å; W87-T147 HydrophobicContact CZ2-CG2 3.82Å; W87-V309 HydrophobicContact CE3-CG1 4.22Å; W87-V309 HydrophobicContact CH2-CG1 4.04Å; W87-V309 HydrophobicContact CZ3-CG1 3.56Å
88L98.3Very high96.9Very high11 Ų1134.8 Ų34.86%0.05817%0.173CC..Hα-helixtrans-59-31.7-179.6-63.3178.8000112.3Y39 W42 R43 L46 M48 D85 M86 V90 K92Y39-L88 HydrophobicContact CD1-CD1 4.18Å; W42-L88 HydrophobicContact CB-CD1 3.87Å; R43-L88 HydrophobicContact CG-CD1 3.92Å; R43-L88 HydrophobicContact CG-CD2 4.16Å; L46-L88 HydrophobicContact CD1-CB 4.09Å; L46-L88 HydrophobicContact CD1-CD2 4.08Å; L46-L88 WeakPolarHBondContact CD1-O 3.34Å; M48-L88 HydrophobicContact CB-CD2 4.4Å; M48-L88 HydrophobicContact CG-CD2 3.76Å; D85-L88 HydrophobicContact CB-CD1 3.71Å; D85-L88 HydrophobicContact CB-CG 4.03Å; D85-L88 WeakPolarHBondContact O-CB 3.27Å; D85-L88 VanDerWaalsContact O-CG 3.27Å; D85-L88 WeakPolarHBondContact O-CG 3.21Å; D85-L88 PolarHBondContact O-N 2.9Å; M86-L88 VanDerWaalsContact C-N 3.27Å; M86-L88 PolarHBondContact O-N 3.45Å; L88-V90 VanDerWaalsContact C-N 3.3Å; L88-V90 PolarHBondContact O-N 3.15Å; L88-K92 PolarHBondContact O-N 2.82Å
89S97.1Very high96.9Very high26 Ų2635.6 Ų35.618%0.18218%0.177CC..Hα-helixtrans-58.5-40.9175.659.60000112.1M86 W87 F93 V309 M310 P313M86-S89 PolarHBondContact O-OG 3.16Å; W87-S89 PolarHBondContact O-N 3.32Å; W87-S89 VanDerWaalsContact O-N 3.17Å; S89-F93 VanDerWaalsContact O-CD2 3.25Å; S89-F93 WeakPolarHBondContact O-CD2 3.13Å; S89-F93 VanDerWaalsContact O-CE2 3.32Å; S89-F93 WeakPolarHBondContact O-CE2 3.26Å; S89-V309 PolarHBondContact OG-O 2.94Å; S89-M310 PolarHBondContact OG-SD 3.07Å; S89-P313 VanDerWaalsContact O-CB 3.27Å; S89-P313 WeakPolarHBondContact O-CB 3.44Å
90V98.4Very high96.9Very high0 Ų035.4 Ų35.40%018%0.175CC..Hα-helixtrans-83.8-44.2178.6178.40000111.2W87 L88 K92 F93 L94 V309 P313 T316 A317 I320W87-V90 HydrophobicContact CE3-CG2 4.46Å; W87-V90 PolarHBondContact O-N 3.33Å; L88-V90 VanDerWaalsContact C-N 3.3Å; L88-V90 PolarHBondContact O-N 3.15Å; V90-K92 PolarHBondContact O-N 2.75Å; V90-K92 VanDerWaalsContact O-N 3.1Å; V90-F93 PolarHBondContact O-N 3.01Å; V90-L94 HydrophobicContact CG1-CD1 4.32Å; V90-L94 HydrophobicContact CG1-CD2 4.47Å; V90-L94 HydrophobicContact CG1-CG 4.26Å; V90-L94 PolarHBondContact O-N 2.98Å; V90-V309 HydrophobicContact CG2-CB 3.71Å; V90-V309 HydrophobicContact CG2-CG1 4.04Å; V90-P313 HydrophobicContact CG2-CB 4.44Å; V90-T316 HydrophobicContact CG2-CG2 4.28Å; V90-A317 HydrophobicContact CG1-CB 3.9Å; V90-I320 HydrophobicContact CG1-CD1 4.13Å
91V98.3Very high97Very high0 Ų034.5 Ų34.50%017%0.171CC..Hα-helixtrans-55.2-32-178.71690000112.4L46 M48 R65 M76 W87 F93 L94 L100L46-V91 HydrophobicContact CB-CG1 4.4Å; L46-V91 HydrophobicContact CD1-CG1 4.3Å; M48-V91 HydrophobicContact CG-CG1 4.27Å; M48-V91 HydrophobicContact SD-CG1 3.85Å; R65-V91 PolarHBondContact NH1-O 2.85Å; M76-V91 HydrophobicContact CE-CG2 4.48Å; W87-V91 HydrophobicContact CB-CG2 4.31Å; W87-V91 WeakPolarHBondContact O-CB 3.16Å; W87-V91 WeakPolarHBondContact O-CG2 3.36Å; W87-V91 PolarHBondContact O-N 3.15Å; V91-F93 PolarHBondContact O-N 3.06Å; V91-L94 HydrophobicContact CG2-CD1 4.45Å; V91-L94 PolarHBondContact O-N 3.32Å; V91-L100 HydrophobicContact CB-CD1 4.46Å; V91-L100 HydrophobicContact CG1-CD1 3.92Å; V91-L100 HydrophobicContact CG2-CD1 3.99Å
92K97.8Very high97.2Very high108 Ų10834.4 Ų34.447%0.4717%0.17SC..THydrogen-bonded Turntrans-53.5-30.6172.9-177.7178.5178.8-179.70113.7W42 L46 L88 V90W42-K92 HydrophobicContact CH2-CD 4.08Å; W42-K92 HydrophobicContact CZ3-CD 3.86Å; W42-K92 HydrophobicContact CZ3-CG 4.44Å; L46-K92 HydrophobicContact CD1-CB 4.23Å; L46-K92 HydrophobicContact CD2-CB 3.97Å; L46-K92 HydrophobicContact CD2-CG 4.17Å; L88-K92 PolarHBondContact O-N 2.82Å; V90-K92 PolarHBondContact O-N 2.75Å; V90-K92 VanDerWaalsContact O-N 3.1Å
93F98.4Very high97.4Very high82 Ų8233.7 Ų33.736%0.3616%0.164SC..THydrogen-bonded Turntrans-106.2-2.1-176.9-56.8-73.4000113.3S89 V90 V91 P313 R314 A317S89-F93 VanDerWaalsContact O-CD2 3.25Å; S89-F93 WeakPolarHBondContact O-CD2 3.13Å; S89-F93 VanDerWaalsContact O-CE2 3.32Å; S89-F93 WeakPolarHBondContact O-CE2 3.26Å; V90-F93 PolarHBondContact O-N 3.01Å; V91-F93 PolarHBondContact O-N 3.06Å; F93-P313 HydrophobicContact CD2-CB 4.12Å; F93-P313 HydrophobicContact CE2-CB 3.86Å; F93-P313 HydrophobicContact CE2-CG 4.09Å; F93-R314 HydrophobicContact CD1-CB 4.14Å; F93-R314 HydrophobicContact CD1-CG 3.97Å; F93-R314 HydrophobicContact CD2-CB 4.17Å; F93-R314 HydrophobicContact CE1-CB 4.12Å; F93-R314 HydrophobicContact CE1-CG 4.18Å; F93-R314 HydrophobicContact CE2-CB 4.17Å; F93-R314 HydrophobicContact CG-CB 4.16Å; F93-R314 HydrophobicContact CG-CG 4.28Å; F93-R314 HydrophobicContact CZ-CB 4.13Å; F93-A317 HydrophobicContact CB-CB 3.48Å; F93-A317 VanDerWaalsContact CB-CB 3.48Å
94L97.9Very high97.5Very high9 Ų932.3 Ų32.35%0.04716%0.158CC..SBendtrans-84.2142.3177.5-67.3-179.9000111.7R65 V90 V91 K96 L98 L100 A317 I320 V321R65-L94 PolarHBondContact NH2-O 2.95Å; V90-L94 HydrophobicContact CG1-CD1 4.32Å; V90-L94 HydrophobicContact CG1-CD2 4.47Å; V90-L94 HydrophobicContact CG1-CG 4.26Å; V90-L94 PolarHBondContact O-N 2.98Å; V91-L94 HydrophobicContact CG2-CD1 4.45Å; V91-L94 PolarHBondContact O-N 3.32Å; L94-K96 PolarHBondContact O-N 2.88Å; L94-L98 HydrophobicContact CB-CD1 4.41Å; L94-L100 HydrophobicContact CB-CD1 4.44Å; L94-L100 HydrophobicContact CD1-CD1 3.93Å; L94-L100 HydrophobicContact CD1-CD2 4.13Å; L94-A317 HydrophobicContact CD2-CB 3.96Å; L94-A317 HydrophobicContact CG-CB 4.44Å; L94-I320 HydrophobicContact CD2-CG2 4.45Å; L94-V321 HydrophobicContact CD2-CG2 3.81Å
95P96.1Very high97.4Very high50 Ų5031.5 Ų31.533%0.32515%0.154SC..  trans-51.5136.6175.8-26.532000113.4R65 N97 L98 V321R65-P95 PolarHBondContact NH2-O 3.49Å; P95-N97 VanDerWaalsContact CB-OD1 3.29Å; P95-N97 WeakPolarHBondContact CB-OD1 3.33Å; P95-N97 PolarHBondContact O-N 2.77Å; P95-L98 HydrophobicContact CB-CD1 4.18Å; P95-L98 HydrophobicContact CB-CG 4.18Å; P95-L98 HydrophobicContact CG-CD1 4.15Å; P95-L98 PolarHBondContact O-N 3.34Å; P95-V321 HydrophobicContact CG-CG2 4.12Å
96K94.4Very high97.3Very high187 Ų18731.2 Ų31.281%0.81315%0.153SC*.THydrogen-bonded Turntrans-67.3-19.1-175.5-67.6-172.8178.7-178.50114.2L94 L98L94-K96 PolarHBondContact O-N 2.88Å; K96-L98 VanDerWaalsContact C-N 3.32Å
97N92.9Very high97.1Very high111 Ų11129.8 Ų29.859%0.59415%0.146SC*.THydrogen-bonded Turntrans-86.33.4-18064.6-21.8000114.2K71 P95K71-N97 PolarHBondContact NZ-ND2 2.66Å; P95-N97 VanDerWaalsContact CB-OD1 3.29Å; P95-N97 WeakPolarHBondContact CB-OD1 3.33Å; P95-N97 PolarHBondContact O-N 2.77Å
98L96Very high96.9Very high18 Ų1829.8 Ų29.89%0.09415%0.146CC..SBendtrans-83.5142.8174.4-61.9174.2000110.8K71 I74 L94 P95 K96 L100K71-L98 HydrophobicContact CD-CD2 4.23Å; I74-L98 HydrophobicContact CD1-CB 4.38Å; I74-L98 HydrophobicContact CD1-CD1 3.88Å; I74-L98 HydrophobicContact CD1-CD2 4.44Å; I74-L98 HydrophobicContact CD1-CG 4.46Å; L94-L98 HydrophobicContact CB-CD1 4.41Å; P95-L98 HydrophobicContact CB-CD1 4.18Å; P95-L98 HydrophobicContact CB-CG 4.18Å; P95-L98 HydrophobicContact CG-CD1 4.15Å; P95-L98 PolarHBondContact O-N 3.34Å; K96-L98 VanDerWaalsContact C-N 3.32Å; L98-L100 HydrophobicContact CB-CD2 3.73Å; L98-L100 HydrophobicContact CB-CG 4.26Å; L98-L100 HydrophobicContact CD1-CD2 4.44Å
99H97.9Very high96.7Very high17 Ų1731.6 Ų31.68%0.07915%0.154CC..  trans-87.1112.2167.1-176.1-133.9000109.5R65 R67 S73 I74R65-H99 CarbonylContact O-C 3.59Å; R65-H99 WeakPolarHBondContact O-CA 3.41Å; R65-H99 PolarHBondContact O-CD2 3.16Å; R67-H99 VanDerWaalsContact C-CG 3.48Å; R67-H99 WeakPolarHBondContact O-CB 3.28Å; S73-H99 WeakPolarHBondContact CB-ND1 3.49Å; S73-H99 PolarHBondContact OG-ND1 3.22Å; I74-H99 PolarHBondContact N-O 3.19Å
100L98.6Very high96.4Very high0 Ų031.7 Ų31.70%016%0.159CC..EExtended strand (participates in β ladder)trans-112.7136.8-175.2-54-175.5000109.8F64 R65 I74 M76 V91 L94 L98F64-L100 CarbonylContact C-O 3.59Å; F64-L100 WeakPolarHBondContact CA-O 3.34Å; F64-L100 VanDerWaalsContact CB-O 3.27Å; F64-L100 WeakPolarHBondContact CB-O 3.38Å; R65-L100 HydrophobicContact CB-CB 4.45Å; R65-L100 PolarHBondContact N-O 3.44Å; R65-L100 PolarHBondContact O-N 3.18Å; I74-L100 HydrophobicContact CB-CD2 3.95Å; I74-L100 HydrophobicContact CD1-CD2 3.68Å; I74-L100 HydrophobicContact CG1-CD2 4.19Å; M76-L100 HydrophobicContact CE-CB 3.75Å; M76-L100 HydrophobicContact CE-CD1 4.3Å; M76-L100 HydrophobicContact CE-CD2 3.89Å; M76-L100 HydrophobicContact CE-CG 4.19Å; V91-L100 HydrophobicContact CB-CD1 4.46Å; V91-L100 HydrophobicContact CG1-CD1 3.92Å; V91-L100 HydrophobicContact CG2-CD1 3.99Å; L94-L100 HydrophobicContact CB-CD1 4.44Å; L94-L100 HydrophobicContact CD1-CD1 3.93Å; L94-L100 HydrophobicContact CD1-CD2 4.13Å; L98-L100 HydrophobicContact CB-CD2 3.73Å; L98-L100 HydrophobicContact CB-CG 4.26Å; L98-L100 HydrophobicContact CD1-CD2 4.44Å
101V98.8Very high96.3Very high1 Ų131.9 Ų31.91%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-132.3119174-177.60000108.5Y62 F64 I74 L75 M76 F131 L135 L137Y62-V101 HydrophobicContact CD2-CG1 3.93Å; F64-V101 HydrophobicContact CB-CG2 4.42Å; I74-V101 PolarHBondContact O-N 2.86Å; L75-V101 CarbonylContact C-O 3.57Å; L75-V101 WeakPolarHBondContact CA-O 3.37Å; L75-V101 HydrophobicContact CD1-CB 4.16Å; L75-V101 HydrophobicContact CD1-CG1 3.89Å; M76-V101 PolarHBondContact N-O 3.18Å; V101-F131 HydrophobicContact CG1-CE1 3.95Å; V101-F131 HydrophobicContact CG1-CZ 3.89Å; V101-L135 HydrophobicContact CG1-CD1 3.97Å; V101-L137 HydrophobicContact CG1-CD1 4.48Å; V101-L137 HydrophobicContact CG2-CD1 4.34Å; V101-L137 HydrophobicContact CG2-CD2 4.38Å
102C98.7Very high96Very high0 Ų033.9 Ų33.90%017%0.172CC..EExtended strand (participates in β ladder)trans-116.6114.4176-55.20000108.3Y62 S63 M76 K84 W87Y62-C102 CarbonylContact C-O 3.58Å; Y62-C102 VanDerWaalsContact CA-O 3.26Å; Y62-C102 WeakPolarHBondContact CA-O 3.43Å; Y62-C102 WeakPolarHBondContact CB-O 3.33Å; S63-C102 PolarHBondContact N-O 2.86Å; S63-C102 PolarHBondContact O-N 2.84Å; M76-C102 VanDerWaalsContact CE-SG 3.54Å; K84-C102 HydrophobicContact CB-CB 3.96Å; K84-C102 WeakPolarHBondContact CB-O 3.24Å; W87-C102 HydrophobicContact CB-CB 4.5Å
103V98.5Very high95.7Very high2 Ų232.3 Ų32.31%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-98.3140.9-176.164.90000110.6L75 M76 L77 H78 M105 F131L75-V103 HydrophobicContact CD1-CG1 4.31Å; M76-V103 PolarHBondContact O-N 3.41Å; L77-V103 HydrophobicContact CD2-CG1 3.58Å; H78-V103 PolarHBondContact CD2-O 3.19Å; V103-M105 HydrophobicContact CG1-SD 4.22Å; V103-M105 PolarHBondContact O-N 3.38Å; V103-F131 HydrophobicContact CB-CD1 4.23Å; V103-F131 HydrophobicContact CB-CE1 3.67Å; V103-F131 HydrophobicContact CB-CZ 3.95Å; V103-F131 HydrophobicContact CG1-CE1 4.29Å; V103-F131 HydrophobicContact CG2-CD1 3.97Å; V103-F131 HydrophobicContact CG2-CD2 4.36Å; V103-F131 HydrophobicContact CG2-CE1 3.72Å; V103-F131 HydrophobicContact CG2-CE2 4.13Å; V103-F131 HydrophobicContact CG2-CG 4.26Å; V103-F131 HydrophobicContact CG2-CZ 3.78Å
104D98.4Very high94.8Very high0 Ų030.2 Ų30.20%016%0.159CC..  trans-72111.8159.3-70.5-25.7000106.7C61 K84 E109 G110 T111C61-D104 HydrophobicContact CB-CB 4.41Å; C61-D104 WeakPolarHBondContact O-CB 3.24Å; C61-D104 PolarHBondContact O-N 2.86Å; C61-D104 PolarHBondContact SG-OD2 3.03Å; C61-D104 VanDerWaalsContact SG-OD2 3.4Å; K84-D104 VanDerWaalsContact CB-OD1 3.26Å; K84-D104 WeakPolarHBondContact CB-OD1 3.27Å; K84-D104 WeakPolarHBondContact CD-OD1 3.24Å; K84-D104 WeakPolarHBondContact CG-OD1 3.36Å; K84-D104 PolarHBondContact N-OD1 3.4Å; K84-D104 VanDerWaalsContact NZ-CG 3.28Å; K84-D104 IonicContact NZ-OD1 3.1Å; K84-D104 PolarHBondContact NZ-OD1 3.22Å; K84-D104 IonicContact NZ-OD2 2.72Å; K84-D104 PolarHBondContact NZ-OD2 3.4Å; D104-E109 HydrophobicContact CB-CB 4.3Å; D104-E109 WeakPolarHBondContact OD2-CB 3.39Å; D104-G110 PolarHBondContact OD2-N 3.47Å; D104-T111 WeakPolarHBondContact O-CB 3.44Å; D104-T111 PolarHBondContact O-OG1 3.38Å
105M97.1Very high93.3Very high0 Ų034.4 Ų34.40%019%0.189CC..  trans-54.6149.8-175.5-73.1-68.1-70.500111.6L77 H78 V103 G107 H108 V128 M149 V153L77-M105 HydrophobicContact CB-SD 3.76Å; L77-M105 HydrophobicContact CD1-CE 4.4Å; L77-M105 HydrophobicContact CD1-SD 4.2Å; L77-M105 HydrophobicContact CD2-SD 3.79Å; L77-M105 HydrophobicContact CG-SD 4.11Å; H78-M105 PolarHBondContact NE2-N 3.07Å; V103-M105 HydrophobicContact CG1-SD 4.22Å; V103-M105 PolarHBondContact O-N 3.38Å; M105-G107 PolarHBondContact O-N 3.48Å; M105-G107 VanDerWaalsContact O-N 3.17Å; M105-H108 VanDerWaalsContact O-CB 3.28Å; M105-H108 WeakPolarHBondContact O-CB 3.14Å; M105-H108 PolarHBondContact O-N 3.21Å; M105-H108 PolarHBondContact O-ND1 2.81Å; M105-V128 HydrophobicContact CE-CG2 3.96Å; M105-V128 HydrophobicContact SD-CG2 4.08Å; M105-M149 HydrophobicContact CB-CE 4.06Å; M105-M149 HydrophobicContact CE-CE 4.14Å; M105-M149 HydrophobicContact CG-CE 4.11Å; M105-V153 HydrophobicContact CE-CB 3.99Å; M105-V153 HydrophobicContact CE-CG1 3.95Å; M105-V153 HydrophobicContact CE-CG2 3.85Å
106P94.8Very high92Very high4 Ų439.5 Ų39.53%0.02621%0.213CC..THydrogen-bonded Turntrans-45.8124.4176.1-26.132.3000112Y58 H108 Q124 R127 V128Y58-P106 WeakPolarHBondContact OH-CB 3.31Å; P106-H108 PolarHBondContact O-ND1 3.36Å; P106-Q124 PolarHBondContact O-NE2 3.49Å; P106-Q124 VanDerWaalsContact O-NE2 3.11Å; P106-Q124 PolarHBondContact O-OE1 2.92Å; P106-R127 HydrophobicContact CB-CB 3.92Å; P106-R127 HydrophobicContact CB-CG 4.2Å; P106-R127 HydrophobicContact CG-CB 3.37Å; P106-R127 HydrophobicContact CG-CG 4.2Å; P106-V128 HydrophobicContact CG-CG2 4.48Å
107G91.8Very high91.4Very high0 Ų031.6 Ų31.60%018%0.179CC..THydrogen-bonded Turntrans90.7-2.6-174.300000116.5M105 R113 F242M105-G107 PolarHBondContact O-N 3.48Å; M105-G107 VanDerWaalsContact O-N 3.17Å; G107-R113 PolarHBondContact O-NE 3.2Å; G107-R113 PolarHBondContact O-NH2 3.1Å; G107-F242 WeakPolarHBondContact O-CD1 3.49Å; G107-F242 WeakPolarHBondContact O-CE1 3.47Å
108H95.2Very high91.4Very high0 Ų029.3 Ų29.30%017%0.167CC..SBendtrans-111.2141.9-178.5-62.275.3000112.8H78 S81 A82 M105 P106 G110 T111 Y243 L246H78-H108 AromaticContact CE1-CD2 3.61Å; H78-H108 AromaticContact CE1-CG 3.58Å; S81-H108 PolarHBondContact N-NE2 2.89Å; A82-H108 PolarHBondContact O-CD2 3.28Å; M105-H108 VanDerWaalsContact O-CB 3.28Å; M105-H108 WeakPolarHBondContact O-CB 3.14Å; M105-H108 PolarHBondContact O-N 3.21Å; M105-H108 PolarHBondContact O-ND1 2.81Å; P106-H108 PolarHBondContact O-ND1 3.36Å; H108-G110 PolarHBondContact O-N 3.44Å; H108-G110 VanDerWaalsContact O-N 3.15Å; H108-T111 PolarHBondContact O-N 3.06Å; H108-Y243 HydrophobicContact CB-CE1 4.33Å; H108-Y243 AromaticContact CD2-CE1 3.32Å; H108-Y243 WeakPolarHBondContact CD2-CE1 3.39Å; H108-Y243 AromaticContact CD2-CZ 3.61Å; H108-Y243 AromaticContact CG-CE1 3.81Å; H108-Y243 AromaticContact NE2-CE1 3.81Å; H108-L246 WeakPolarHBondContact CE1-CD2 3.43Å
109E93.8Very high91.3Very high49 Ų4929.3 Ų29.323%0.22917%0.167CC..THydrogen-bonded Turntrans43.6-112.5170.6-57.2-53.9126.800115.1H83 D104 H239 Y243H83-E109 HydrophobicContact CB-CB 4.5Å; H83-E109 HydrophobicContact CB-CG 3.39Å; D104-E109 HydrophobicContact CB-CB 4.3Å; D104-E109 WeakPolarHBondContact OD2-CB 3.39Å; E109-H239 IonicContact OE1-CD2 3.59Å; E109-H239 IonicContact OE1-CG 3.56Å; E109-H239 IonicContact OE1-NE2 3.27Å; E109-H239 IonicContact OE2-NE2 3.27Å; E109-Y243 PolarHBondContact OE1-OH 3.08Å
110G91.8Very high91.2Very high27 Ų2728.5 Ų28.528%0.27816%0.163SC..THydrogen-bonded Turntrans-86.9-1.7-173.400000114.9Q59 C61 D104 H108Q59-G110 PolarHBondContact NE2-O 2.89Å; C61-G110 VanDerWaalsContact CB-O 3.29Å; C61-G110 WeakPolarHBondContact CB-O 3.34Å; D104-G110 PolarHBondContact OD2-N 3.47Å; H108-G110 PolarHBondContact O-N 3.44Å; H108-G110 VanDerWaalsContact O-N 3.15Å
111T95.7Very high91.1Very high4 Ų428.5 Ų28.53%0.02516%0.163CC..SBendtrans-86.4138.1174.7-68.30000109.6Y58 Q59 F60 C61 D104 H108Y58-T111 HydrophobicContact CE1-CG2 3.74Å; Y58-T111 WeakPolarHBondContact OH-CG2 3.42Å; Q59-T111 CarbonylContact O-C 3.47Å; Q59-T111 WeakPolarHBondContact O-CA 3.3Å; Q59-T111 WeakPolarHBondContact O-CG2 3.28Å; F60-T111 HydrophobicContact CD1-CG2 4.1Å; C61-T111 PolarHBondContact N-OG1 3.39Å; D104-T111 WeakPolarHBondContact O-CB 3.44Å; D104-T111 PolarHBondContact O-OG1 3.38Å; H108-T111 PolarHBondContact O-N 3.06Å
112T92.2Very high91Very high42 Ų4230 Ų3026%0.25817%0.172SC..  trans-51.2141.5-175.8-65.90000112Y58 Q59Y58-T112 HydrophobicContact CD2-CG2 4.11Å; Y58-T112 HydrophobicContact CE2-CG2 4.23Å; Y58-T112 PolarHBondContact OH-O 3.09Å; Y58-T112 VanDerWaalsContact OH-O 3.06Å; Q59-T112 WeakPolarHBondContact CB-OG1 3.28Å; Q59-T112 PolarHBondContact N-OG1 3.42Å; Q59-T112 PolarHBondContact O-N 3.01Å; Q59-T112 PolarHBondContact O-OG1 3.25Å
113R90Very high90.9Very high75 Ų7530.2 Ų30.228%0.28317%0.173SC..  trans-112.4111.9168.9-70.1172.1175.2167.62.7108.5G107 H239 F242G107-R113 PolarHBondContact O-NE 3.2Å; G107-R113 PolarHBondContact O-NH2 3.1Å; R113-H239 VanDerWaalsContact CZ-ND1 3.32Å; R113-H239 PolarHBondContact NH1-ND1 3.1Å; R113-H239 VanDerWaalsContact NH2-CB 3.29Å; R113-H239 PolarHBondContact NH2-ND1 2.89Å; R113-F242 HydrophobicContact CB-CD2 4.14Å; R113-F242 HydrophobicContact CB-CE2 3.82Å; R113-F242 HydrophobicContact CB-CZ 4.31Å; R113-F242 HydrophobicContact CG-CD1 4.37Å; R113-F242 HydrophobicContact CG-CD2 3.98Å; R113-F242 HydrophobicContact CG-CE1 4.27Å; R113-F242 HydrophobicContact CG-CE2 3.83Å; R113-F242 HydrophobicContact CG-CG 4.24Å; R113-F242 HydrophobicContact CG-CZ 3.97Å
114S79.4Confident90.8Very high39 Ų3930.2 Ų30.227%0.27317%0.173SC..  trans-100.5144.8170-176.60000110.4L116 D117S114-L116 PolarHBondContact O-N 3.18Å; S114-L116 PolarHBondContact OG-N 2.99Å; S114-D117 WeakPolarHBondContact CA-OD2 3.43Å; S114-D117 WeakPolarHBondContact CB-OD2 3.28Å; S114-D117 PolarHBondContact N-OD2 3.26Å; S114-D117 PolarHBondContact O-N 2.85Å
115S67.2Low90.8Very high97 Ų9730.2 Ų30.268%0.67817%0.173SC*.THydrogen-bonded Turntrans-67.2-21171.252.20000112.6
116L69.9Low90.8Very high157 Ų15735.9 Ų35.982%0.82220%0.198SC*.THydrogen-bonded Turntrans-92.83.4179.6-59.2175.5000113.3S114 D118S114-L116 PolarHBondContact O-N 3.18Å; S114-L116 PolarHBondContact OG-N 2.99Å; L116-D118 PolarHBondContact O-N 2.89Å
117D81.7Confident90.9Very high20 Ų2038.6 Ų38.611%0.10721%0.207CC..  trans-66.8131.1-178.7-76.8-30.8000111.3S114 L119 R127S114-D117 WeakPolarHBondContact CA-OD2 3.43Å; S114-D117 WeakPolarHBondContact CB-OD2 3.28Å; S114-D117 PolarHBondContact N-OD2 3.26Å; S114-D117 PolarHBondContact O-N 2.85Å; D117-L119 HydrophobicContact CB-CD2 3.74Å; D117-L119 PolarHBondContact O-N 2.94Å; D117-L119 VanDerWaalsContact O-N 3.09Å; D117-R127 IonicContact OD1-CZ 3.93Å; D117-R127 IonicContact OD1-NE 3.34Å; D117-R127 IonicContact OD1-NH2 3.56Å; D117-R127 PolarHBondContact OD1-NH2 3.15Å
118D92.2Very high91.3Very high64 Ų6438.7 Ų38.734%0.34221%0.208SC..  trans-68.9101161.9-176.41.4000108L116 S120 G123 K254L116-D118 PolarHBondContact O-N 2.89Å; D118-S120 VanDerWaalsContact CG-OG 3.23Å; D118-S120 PolarHBondContact O-N 3.01Å; D118-S120 WeakPolarHBondContact OD1-CB 3.44Å; D118-S120 PolarHBondContact OD1-N 2.72Å; D118-S120 VanDerWaalsContact OD1-N 3.15Å; D118-S120 PolarHBondContact OD1-OG 3.1Å; D118-S120 PolarHBondContact OD2-OG 3Å; D118-G123 WeakPolarHBondContact O-CA 3.5Å; D118-K254 IonicContact OD1-NZ 2.76Å; D118-K254 PolarHBondContact OD1-NZ 3.33Å; D118-K254 IonicContact OD2-NZ 2.59Å
119L93.1Very high91.4Very high17 Ų1740 Ų409%0.08921%0.214CC..  trans-80.7-3.9-177.2-59.3-176.4000112.9D117 F242 R245 L246 E249D117-L119 HydrophobicContact CB-CD2 3.74Å; D117-L119 PolarHBondContact O-N 2.94Å; D117-L119 VanDerWaalsContact O-N 3.09Å; L119-F242 HydrophobicContact CD1-CZ 4.27Å; L119-F242 HydrophobicContact CD2-CE1 4.28Å; L119-F242 HydrophobicContact CD2-CZ 3.65Å; L119-R245 HydrophobicContact CD1-CB 4.42Å; L119-L246 HydrophobicContact CB-CD1 3.92Å; L119-L246 HydrophobicContact CD2-CD1 4.41Å; L119-E249 HydrophobicContact CB-CB 3.96Å; L119-E249 HydrophobicContact CB-CG 3.77Å
120S95.6Very high91.6Very high0 Ų039.8 Ų39.80%021%0.213CC..SBendtrans-62.8164.6177.570.10000111.7D118 D122 G123 Q124 E249 K254 S255D118-S120 VanDerWaalsContact CG-OG 3.23Å; D118-S120 PolarHBondContact O-N 3.01Å; D118-S120 WeakPolarHBondContact OD1-CB 3.44Å; D118-S120 PolarHBondContact OD1-N 2.72Å; D118-S120 VanDerWaalsContact OD1-N 3.15Å; D118-S120 PolarHBondContact OD1-OG 3.1Å; D118-S120 PolarHBondContact OD2-OG 3Å; S120-D122 PolarHBondContact O-N 3.46Å; S120-G123 WeakPolarHBondContact O-CA 3.32Å; S120-G123 PolarHBondContact O-N 2.64Å; S120-G123 PolarHBondContact OG-N 3.22Å; S120-Q124 VanDerWaalsContact O-CG 3.32Å; S120-Q124 WeakPolarHBondContact O-CG 3.47Å; S120-Q124 PolarHBondContact O-N 2.85Å; S120-E249 WeakPolarHBondContact CB-OE1 3.47Å; S120-E249 VanDerWaalsContact N-CG 3.35Å; S120-K254 PolarHBondContact OG-NZ 3.06Å; S120-S255 WeakPolarHBondContact CA-OG 3.26Å; S120-S255 WeakPolarHBondContact CB-OG 3.27Å
121I97.2Very high91.9Very high0 Ų038.6 Ų38.60%020%0.2CC..Hα-helixtrans-59.8-38.1177.6-68.2-71.6000111.4G123 Q124 V125 H152 V153 V156 I250 S255I121-G123 VanDerWaalsContact C-N 3.35Å; I121-G123 PolarHBondContact O-N 3.41Å; I121-Q124 WeakPolarHBondContact O-CB 3.43Å; I121-Q124 PolarHBondContact O-N 3.34Å; I121-V125 HydrophobicContact CG2-CG2 4.5Å; I121-V125 VanDerWaalsContact O-CG2 3.28Å; I121-V125 WeakPolarHBondContact O-CG2 3.37Å; I121-V125 PolarHBondContact O-N 3.15Å; I121-H152 HydrophobicContact CD1-CB 4.25Å; I121-H152 WeakPolarHBondContact CD1-ND1 3.38Å; I121-V153 HydrophobicContact CD1-CG2 4.01Å; I121-V156 HydrophobicContact CG2-CB 4.36Å; I121-V156 HydrophobicContact CG2-CG2 3.95Å; I121-I250 HydrophobicContact CD1-CG1 4.34Å; I121-I250 HydrophobicContact CD1-CG2 4.35Å; I121-S255 PolarHBondContact N-OG 3.23Å
122D96.9Very high92Very high34 Ų3438.4 Ų38.418%0.18220%0.199CC..Hα-helixtrans-64.4-39.7174.2-65.1-60.6000112.3S120 V125 K126 Y160S120-D122 PolarHBondContact O-N 3.46Å; D122-V125 PolarHBondContact O-N 2.82Å; D122-K126 WeakPolarHBondContact O-CG 3.21Å; D122-K126 PolarHBondContact O-N 2.79Å; D122-Y160 WeakPolarHBondContact OD1-CE2 3.42Å; D122-Y160 PolarHBondContact OD1-OH 2.89Å; D122-Y160 VanDerWaalsContact OD1-OH 3.14Å
123G96.3Very high92.3Very high3 Ų340.8 Ų40.83%0.03121%0.207CC..Hα-helixtrans-61.8-43.8173.100000112.3D118 S120 I121 V125 K126 R127D118-G123 WeakPolarHBondContact O-CA 3.5Å; S120-G123 WeakPolarHBondContact O-CA 3.32Å; S120-G123 PolarHBondContact O-N 2.64Å; S120-G123 PolarHBondContact OG-N 3.22Å; I121-G123 VanDerWaalsContact C-N 3.35Å; I121-G123 PolarHBondContact O-N 3.41Å; G123-V125 PolarHBondContact O-N 3.07Å; G123-K126 PolarHBondContact O-N 3.29Å; G123-R127 WeakPolarHBondContact O-CG 3.34Å; G123-R127 PolarHBondContact O-N 3.25Å
124Q97.3Very high92.6Very high2 Ų239.1 Ų39.11%0.00921%0.207CC..Hα-helixtrans-60.2-44.7173.9-67-74.1-26.200111.6P106 S120 I121 R127 V128 V153P106-Q124 PolarHBondContact O-NE2 3.49Å; P106-Q124 VanDerWaalsContact O-NE2 3.11Å; P106-Q124 PolarHBondContact O-OE1 2.92Å; S120-Q124 VanDerWaalsContact O-CG 3.32Å; S120-Q124 WeakPolarHBondContact O-CG 3.47Å; S120-Q124 PolarHBondContact O-N 2.85Å; I121-Q124 WeakPolarHBondContact O-CB 3.43Å; I121-Q124 PolarHBondContact O-N 3.34Å; Q124-R127 PolarHBondContact O-N 2.81Å; Q124-V128 WeakPolarHBondContact O-CG2 3.27Å; Q124-V128 PolarHBondContact O-N 3.37Å; Q124-V153 HydrophobicContact CB-CG1 4.39Å; Q124-V153 HydrophobicContact CB-CG2 3.7Å; Q124-V153 HydrophobicContact CG-CG2 4.46Å
125V98.5Very high93.5Very high1 Ų139.3 Ų39.31%0.00621%0.205CC..Hα-helixtrans-59.8-47176.1168.50000111.1I121 D122 G123 R127 V128 H129 V153 V156 Y157 Y160 Y161I121-V125 HydrophobicContact CG2-CG2 4.5Å; I121-V125 VanDerWaalsContact O-CG2 3.28Å; I121-V125 WeakPolarHBondContact O-CG2 3.37Å; I121-V125 PolarHBondContact O-N 3.15Å; D122-V125 PolarHBondContact O-N 2.82Å; G123-V125 PolarHBondContact O-N 3.07Å; V125-R127 PolarHBondContact O-N 2.91Å; V125-V128 PolarHBondContact O-N 3.33Å; V125-H129 PolarHBondContact O-N 2.95Å; V125-V153 HydrophobicContact CG2-CG1 3.8Å; V125-V156 HydrophobicContact CG2-CB 3.82Å; V125-V156 HydrophobicContact CG2-CG1 3.8Å; V125-Y157 HydrophobicContact CG1-CD2 4.23Å; V125-Y160 HydrophobicContact CG1-CD2 4Å; V125-Y161 HydrophobicContact CG1-CD2 4.41Å; V125-Y161 HydrophobicContact CG1-CE2 3.83Å
126K97.3Very high94.9Very high119 Ų11941 Ų4152%0.51720%0.2SC..Hα-helixtrans-59.5-44.7177-72.7170.9-176.2172.90111.9D122 G123 H129 Q130D122-K126 WeakPolarHBondContact O-CG 3.21Å; D122-K126 PolarHBondContact O-N 2.79Å; G123-K126 PolarHBondContact O-N 3.29Å; K126-H129 PolarHBondContact O-N 2.69Å; K126-Q130 WeakPolarHBondContact O-CG 3.32Å; K126-Q130 PolarHBondContact O-N 3.15Å
127R97Very high96.2Very high60 Ų6034.1 Ų34.123%0.22616%0.164CC..Hα-helixtrans-65.2-39.5177.2-70.9-59.2-166.2-172.93.5112.3F60 P106 D117 G123 Q124 V125 H129 Q130 F131F60-R127 HydrophobicContact CE1-CB 4.42Å; F60-R127 VanDerWaalsContact CE1-O 3.3Å; F60-R127 WeakPolarHBondContact CE1-O 3.32Å; F60-R127 VanDerWaalsContact CZ-O 3.28Å; F60-R127 WeakPolarHBondContact CZ-O 3.25Å; P106-R127 HydrophobicContact CB-CB 3.92Å; P106-R127 HydrophobicContact CB-CG 4.2Å; P106-R127 HydrophobicContact CG-CB 3.37Å; P106-R127 HydrophobicContact CG-CG 4.2Å; D117-R127 IonicContact OD1-CZ 3.93Å; D117-R127 IonicContact OD1-NE 3.34Å; D117-R127 IonicContact OD1-NH2 3.56Å; D117-R127 PolarHBondContact OD1-NH2 3.15Å; G123-R127 WeakPolarHBondContact O-CG 3.34Å; G123-R127 PolarHBondContact O-N 3.25Å; Q124-R127 PolarHBondContact O-N 2.81Å; V125-R127 PolarHBondContact O-N 2.91Å; R127-H129 VanDerWaalsContact C-N 3.33Å; R127-Q130 VanDerWaalsContact CD-OE1 3.23Å; R127-Q130 PolarHBondContact O-N 2.87Å; R127-F131 PolarHBondContact O-N 3.36Å
128V98.3Very high96.9Very high3 Ų335.6 Ų35.62%0.01817%0.172CC..Hα-helixtrans-65-38.5173.9170.80000111.1L75 L77 M105 P106 Q124 V125 F131 V132 V153 Y157L75-V128 HydrophobicContact CD2-CG1 4.39Å; L77-V128 HydrophobicContact CD1-CG1 4.29Å; L77-V128 HydrophobicContact CD1-CG2 4.49Å; L77-V128 HydrophobicContact CD2-CG1 4.27Å; M105-V128 HydrophobicContact CE-CG2 3.96Å; M105-V128 HydrophobicContact SD-CG2 4.08Å; P106-V128 HydrophobicContact CG-CG2 4.48Å; Q124-V128 WeakPolarHBondContact O-CG2 3.27Å; Q124-V128 PolarHBondContact O-N 3.37Å; V125-V128 PolarHBondContact O-N 3.33Å; V128-F131 WeakPolarHBondContact O-CB 3.44Å; V128-F131 PolarHBondContact O-N 3.44Å; V128-V132 WeakPolarHBondContact O-CG2 3.25Å; V128-V132 PolarHBondContact O-N 3.49Å; V128-V153 HydrophobicContact CG2-CG1 4.06Å; V128-Y157 HydrophobicContact CG1-CD2 4.03Å; V128-Y157 HydrophobicContact CG1-CE2 4.09Å
129H98.4Very high97Very high26 Ų2640.2 Ų40.212%0.1219%0.189CC..Hα-helixtrans-63.5-45.3174.5-170.164.9000112V125 K126 R127 F131 V132 E133 Y157 Y161 D164V125-H129 PolarHBondContact O-N 2.95Å; K126-H129 PolarHBondContact O-N 2.69Å; R127-H129 VanDerWaalsContact C-N 3.33Å; H129-F131 VanDerWaalsContact C-N 3.27Å; H129-F131 PolarHBondContact O-N 2.92Å; H129-V132 WeakPolarHBondContact O-CA 3.45Å; H129-V132 WeakPolarHBondContact O-CB 3.37Å; H129-V132 PolarHBondContact O-N 3.36Å; H129-E133 IonicContact NE2-OE1 3.21Å; H129-E133 WeakPolarHBondContact O-CG 3.49Å; H129-E133 PolarHBondContact O-N 2.85Å; H129-Y157 HydrophobicContact CB-CE2 3.83Å; H129-Y157 AromaticContact ND1-CE2 3.91Å; H129-Y157 AromaticContact ND1-CZ 3.77Å; H129-Y157 PolarHBondContact ND1-OH 2.86Å; H129-Y161 HydrophobicContact CB-CD2 4.48Å; H129-Y161 HydrophobicContact CB-CE2 3.91Å; H129-Y161 AromaticContact CD2-CE1 3.75Å; H129-Y161 AromaticContact CD2-CZ 3.77Å; H129-Y161 AromaticContact CE1-CD1 3.52Å; H129-Y161 AromaticContact CE1-CE1 3.62Å; H129-Y161 AromaticContact CE1-CG 3.99Å; H129-Y161 AromaticContact CG-CE1 3.88Å; H129-Y161 AromaticContact CG-CE2 3.86Å; H129-Y161 AromaticContact CG-CZ 3.65Å; H129-Y161 AromaticContact ND1-CD1 3.74Å; H129-Y161 AromaticContact ND1-CD2 3.94Å; H129-Y161 AromaticContact ND1-CE1 3.81Å; H129-Y161 AromaticContact ND1-CG 3.8Å; H129-Y161 AromaticContact ND1-CZ 3.94Å; H129-Y161 AromaticContact NE2-CD1 3.93Å; H129-Y161 AromaticContact NE2-CE1 3.57Å; H129-D164 IonicContact CE1-OD2 3.97Å; H129-D164 PolarHBondContact CE1-OD2 3.03Å; H129-D164 IonicContact ND1-OD2 3.88Å; H129-D164 PolarHBondContact ND1-OD2 3.03Å
130Q97.7Very high97.1Very high46 Ų4645.9 Ų45.922%0.21521%0.213CC..Hα-helixtrans-55.7-42.3172.5-72.5175.9-20.100111.9F60 K126 R127 E133 C134F60-Q130 HydrophobicContact CZ-CB 4.13Å; K126-Q130 WeakPolarHBondContact O-CG 3.32Å; K126-Q130 PolarHBondContact O-N 3.15Å; R127-Q130 VanDerWaalsContact CD-OE1 3.23Å; R127-Q130 PolarHBondContact O-N 2.87Å; Q130-E133 PolarHBondContact O-N 3.05Å; Q130-C134 PolarHBondContact O-N 3.17Å; Q130-C134 PolarHBondContact O-SG 3.43Å
131F98.4Very high97.2Very high1 Ų148.9 Ų48.90%0.00423%0.232CC..Hα-helixtrans-62.1-43.7175.1174.3-112.9000112.7A53 F60 Y62 L75 V101 V103 R127 V128 H129 E133 C134 L135A53-F131 HydrophobicContact CB-CD2 4.38Å; A53-F131 HydrophobicContact CB-CE2 4.29Å; F60-F131 HydrophobicContact CB-CD2 3.42Å; F60-F131 VanDerWaalsContact CB-CD2 3.42Å; F60-F131 HydrophobicContact CB-CE2 3.8Å; F60-F131 HydrophobicContact CB-CG 4.36Å; F60-F131 HydrophobicContact CD1-CB 3.78Å; F60-F131 AromaticContact CD1-CD2 4Å; F60-F131 HydrophobicContact CD1-CD2 4Å; F60-F131 HydrophobicContact CD1-CG 4.14Å; F60-F131 HydrophobicContact CD2-CB 4.19Å; F60-F131 AromaticContact CD2-CD2 3.97Å; F60-F131 HydrophobicContact CD2-CD2 3.97Å; F60-F131 HydrophobicContact CE1-CB 3.76Å; F60-F131 HydrophobicContact CE2-CB 4.17Å; F60-F131 HydrophobicContact CG-CB 3.99Å; F60-F131 AromaticContact CG-CD2 3.54Å; F60-F131 HydrophobicContact CG-CD2 3.54Å; F60-F131 HydrophobicContact CG-CE2 4.4Å; F60-F131 HydrophobicContact CG-CG 4.12Å; F60-F131 HydrophobicContact CZ-CB 3.96Å; Y62-F131 AromaticContact CD1-CE2 3.56Å; Y62-F131 HydrophobicContact CD1-CE2 3.56Å; Y62-F131 AromaticContact CD1-CZ 3.84Å; Y62-F131 HydrophobicContact CD1-CZ 3.84Å; Y62-F131 HydrophobicContact CD2-CZ 4.23Å; Y62-F131 HydrophobicContact CE1-CE2 4.12Å; Y62-F131 AromaticContact CG-CE2 3.9Å; Y62-F131 HydrophobicContact CG-CE2 3.9Å; Y62-F131 AromaticContact CG-CZ 3.66Å; Y62-F131 HydrophobicContact CG-CZ 3.66Å; L75-F131 HydrophobicContact CD1-CD1 4.46Å; L75-F131 HydrophobicContact CD1-CE1 3.88Å; V101-F131 HydrophobicContact CG1-CE1 3.95Å; V101-F131 HydrophobicContact CG1-CZ 3.89Å; V103-F131 HydrophobicContact CB-CD1 4.23Å; V103-F131 HydrophobicContact CB-CE1 3.67Å; V103-F131 HydrophobicContact CB-CZ 3.95Å; V103-F131 HydrophobicContact CG1-CE1 4.29Å; V103-F131 HydrophobicContact CG2-CD1 3.97Å; V103-F131 HydrophobicContact CG2-CD2 4.36Å; V103-F131 HydrophobicContact CG2-CE1 3.72Å; V103-F131 HydrophobicContact CG2-CE2 4.13Å; V103-F131 HydrophobicContact CG2-CG 4.26Å; V103-F131 HydrophobicContact CG2-CZ 3.78Å; R127-F131 PolarHBondContact O-N 3.36Å; V128-F131 WeakPolarHBondContact O-CB 3.44Å; V128-F131 PolarHBondContact O-N 3.44Å; H129-F131 VanDerWaalsContact C-N 3.27Å; H129-F131 PolarHBondContact O-N 2.92Å; F131-E133 VanDerWaalsContact C-N 3.34Å; F131-E133 PolarHBondContact O-N 3.44Å; F131-C134 PolarHBondContact O-N 3.37Å; F131-L135 HydrophobicContact CD2-CD1 4.35Å; F131-L135 HydrophobicContact CD2-CG 4.32Å; F131-L135 HydrophobicContact CE1-CD1 3.79Å; F131-L135 HydrophobicContact CE2-CD1 3.56Å; F131-L135 HydrophobicContact CE2-CD2 4.42Å; F131-L135 HydrophobicContact CE2-CG 3.88Å; F131-L135 HydrophobicContact CZ-CD1 3.24Å; F131-L135 HydrophobicContact CZ-CG 4.07Å; F131-L135 PolarHBondContact O-N 3.11Å; F131-L135 VanDerWaalsContact O-N 3.09Å
132V98.5Very high97.2Very high0 Ų049 Ų490%023%0.233CC..Hα-helixtrans-58.5-45.2175.6163.80000111.1L75 V128 H129 L135 K136 L137 N138 F142L75-V132 HydrophobicContact CD2-CG2 3.66Å; V128-V132 WeakPolarHBondContact O-CG2 3.25Å; V128-V132 PolarHBondContact O-N 3.49Å; H129-V132 WeakPolarHBondContact O-CA 3.45Å; H129-V132 WeakPolarHBondContact O-CB 3.37Å; H129-V132 PolarHBondContact O-N 3.36Å; V132-L135 PolarHBondContact O-N 3.35Å; V132-K136 PolarHBondContact O-N 3.41Å; V132-L137 HydrophobicContact CG1-CB 4.11Å; V132-L137 PolarHBondContact O-N 3.15Å; V132-N138 HydrophobicContact CG1-CB 3.69Å; V132-F142 HydrophobicContact CG1-CE1 3.67Å; V132-F142 HydrophobicContact CG1-CZ 4.08Å; V132-F142 HydrophobicContact CG2-CE1 4.18Å; V132-F142 HydrophobicContact CG2-CZ 3.75Å
133E97.8Very high97.3Very high92 Ų9247.4 Ų47.443%0.4322%0.224SC..Hα-helixtrans-64.6-43.2176.7-68.2-174.5119.500112.2H129 Q130 F131 L135 K136H129-E133 IonicContact NE2-OE1 3.21Å; H129-E133 WeakPolarHBondContact O-CG 3.49Å; H129-E133 PolarHBondContact O-N 2.85Å; Q130-E133 PolarHBondContact O-N 3.05Å; F131-E133 VanDerWaalsContact C-N 3.34Å; F131-E133 PolarHBondContact O-N 3.44Å; E133-L135 VanDerWaalsContact C-N 3.28Å; E133-L135 PolarHBondContact O-N 3.35Å; E133-K136 WeakPolarHBondContact O-CA 3.48Å; E133-K136 WeakPolarHBondContact O-CG 3.21Å; E133-K136 PolarHBondContact O-N 3Å
134C97.1Very high97.4Very high41 Ų4147.3 Ų47.328%0.27722%0.223SC..Hα-helixtrans-58.5-41.4177.6-70.60000112A53 Q130 F131 K136A53-C134 HydrophobicContact CB-CB 4.24Å; Q130-C134 PolarHBondContact O-N 3.17Å; Q130-C134 PolarHBondContact O-SG 3.43Å; F131-C134 PolarHBondContact O-N 3.37Å; C134-K136 VanDerWaalsContact C-N 3.26Å
135L97Very high97.5Very high43 Ų4347.3 Ų47.323%0.22522%0.223CC..THydrogen-bonded Turntrans-82-6.4176.5-63.8-168.7000113.4A53 Y62 V101 F131 V132 E133 L137A53-L135 HydrophobicContact CB-CD2 3.9Å; Y62-L135 HydrophobicContact CD2-CD1 4.39Å; Y62-L135 HydrophobicContact CE1-CD1 4.46Å; Y62-L135 HydrophobicContact CE1-CD2 3.93Å; Y62-L135 HydrophobicContact CE2-CD1 4.11Å; Y62-L135 HydrophobicContact CE2-CD2 4.39Å; Y62-L135 WeakPolarHBondContact OH-CD2 3.38Å; V101-L135 HydrophobicContact CG1-CD1 3.97Å; F131-L135 HydrophobicContact CD2-CD1 4.35Å; F131-L135 HydrophobicContact CD2-CG 4.32Å; F131-L135 HydrophobicContact CE1-CD1 3.79Å; F131-L135 HydrophobicContact CE2-CD1 3.56Å; F131-L135 HydrophobicContact CE2-CD2 4.42Å; F131-L135 HydrophobicContact CE2-CG 3.88Å; F131-L135 HydrophobicContact CZ-CD1 3.24Å; F131-L135 HydrophobicContact CZ-CG 4.07Å; F131-L135 PolarHBondContact O-N 3.11Å; F131-L135 VanDerWaalsContact O-N 3.09Å; V132-L135 PolarHBondContact O-N 3.35Å; E133-L135 VanDerWaalsContact C-N 3.28Å; E133-L135 PolarHBondContact O-N 3.35Å; L135-L137 HydrophobicContact CB-CD1 4.11Å; L135-L137 HydrophobicContact CB-CG 3.76Å; L135-L137 HydrophobicContact CD1-CD1 3.95Å; L135-L137 HydrophobicContact CD1-CG 4.39Å; L135-L137 PolarHBondContact O-N 2.83Å
136K96.8Very high97.5Very high132 Ų13247.3 Ų47.357%0.57422%0.223SC*.THydrogen-bonded Turntrans5434.7-173.8-53.6-178.1-177.1-177.50111.7V132 E133 C134 N138 K139V132-K136 PolarHBondContact O-N 3.41Å; E133-K136 WeakPolarHBondContact O-CA 3.48Å; E133-K136 WeakPolarHBondContact O-CG 3.21Å; E133-K136 PolarHBondContact O-N 3Å; C134-K136 VanDerWaalsContact C-N 3.26Å; K136-N138 VanDerWaalsContact C-N 3.29Å; K136-N138 PolarHBondContact O-N 3.05Å; K136-K139 HydrophobicContact CB-CD 4.1Å; K136-K139 HydrophobicContact CB-CG 4.13Å; K136-K139 WeakPolarHBondContact O-CG 3.33Å; K136-K139 PolarHBondContact O-N 3.24Å
137L96.6Very high97.6Very high12 Ų1242 Ų426%0.06320%0.2CC..G310 helixtrans-68.1-31.5-179-78.6175.5000111.6V101 V132 L135 K139 F142V101-L137 HydrophobicContact CG1-CD1 4.48Å; V101-L137 HydrophobicContact CG2-CD1 4.34Å; V101-L137 HydrophobicContact CG2-CD2 4.38Å; V132-L137 HydrophobicContact CG1-CB 4.11Å; V132-L137 PolarHBondContact O-N 3.15Å; L135-L137 HydrophobicContact CB-CD1 4.11Å; L135-L137 HydrophobicContact CB-CG 3.76Å; L135-L137 HydrophobicContact CD1-CD1 3.95Å; L135-L137 HydrophobicContact CD1-CG 4.39Å; L135-L137 PolarHBondContact O-N 2.83Å; L137-K139 PolarHBondContact O-N 2.86Å; L137-F142 HydrophobicContact CB-CD1 4.18Å; L137-F142 HydrophobicContact CB-CE1 4.38Å
138N96.3Very high97.6Very high52 Ų5239.8 Ų39.828%0.27819%0.194SC..G310 helixtrans-76.63.9177.963.1-17000114.8V132 K136 K140 D164V132-N138 HydrophobicContact CG1-CB 3.69Å; K136-N138 VanDerWaalsContact C-N 3.29Å; K136-N138 PolarHBondContact O-N 3.05Å; N138-K140 PolarHBondContact O-N 2.82Å; N138-D164 HydrophobicContact CB-CB 4.29Å
139K95.3Very high97.6Very high161 Ų16139.8 Ų39.870%0.719%0.194SC*.G310 helixtrans-59.2-25.2169.7-79.2-171.5172.1-170.90113K136 L137K136-K139 HydrophobicContact CB-CD 4.1Å; K136-K139 HydrophobicContact CB-CG 4.13Å; K136-K139 WeakPolarHBondContact O-CG 3.33Å; K136-K139 PolarHBondContact O-N 3.24Å; L137-K139 PolarHBondContact O-N 2.86Å
140K94.8Very high97.6Very high135 Ų13538.5 Ų38.559%0.58719%0.188SC*.SBendtrans-140.4149.4170.6-63.6-175.7-178.7-1790107.6N138 F142N138-K140 PolarHBondContact O-N 2.82Å; K140-F142 PolarHBondContact O-N 2.88Å
141P97.2Very high97.7Very high64 Ų6436.3 Ų36.342%0.41618%0.178SC..  trans-52.6133.2173.5-28.336.3000111.7P72 D164 C166P72-P141 WeakPolarHBondContact CB-O 3.43Å; P141-D164 VanDerWaalsContact CA-O 3.27Å; P141-D164 WeakPolarHBondContact CA-O 3.47Å; P141-C166 HydrophobicContact CB-CB 3.75Å
142F98.4Very high97.7Very high1 Ų136.3 Ų36.30%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-116.5165.4178.263.9-93.9000112.1S73 L75 V132 L137 K140 L144 Y157 D164 I165 C166S73-F142 WeakPolarHBondContact O-CB 3.17Å; L75-F142 HydrophobicContact CB-CD2 3.89Å; L75-F142 HydrophobicContact CB-CE2 3.81Å; L75-F142 HydrophobicContact CD2-CE2 3.84Å; L75-F142 HydrophobicContact CD2-CZ 4.22Å; L75-F142 HydrophobicContact CG-CE2 4.45Å; V132-F142 HydrophobicContact CG1-CE1 3.67Å; V132-F142 HydrophobicContact CG1-CZ 4.08Å; V132-F142 HydrophobicContact CG2-CE1 4.18Å; V132-F142 HydrophobicContact CG2-CZ 3.75Å; L137-F142 HydrophobicContact CB-CD1 4.18Å; L137-F142 HydrophobicContact CB-CE1 4.38Å; K140-F142 PolarHBondContact O-N 2.88Å; F142-L144 HydrophobicContact CE2-CB 4.15Å; F142-L144 HydrophobicContact CE2-CD1 4.3Å; F142-Y157 HydrophobicContact CZ-CE1 4.21Å; F142-D164 WeakPolarHBondContact CD1-O 3.41Å; F142-D164 HydrophobicContact CE1-CB 3.97Å; F142-D164 VanDerWaalsContact CE1-O 3.24Å; F142-D164 WeakPolarHBondContact CE1-O 3.46Å; F142-D164 HydrophobicContact CZ-CB 4.46Å; F142-D164 PolarHBondContact N-O 2.86Å; F142-I165 HydrophobicContact CD2-CG2 4.01Å; F142-I165 HydrophobicContact CE1-CG2 4.12Å; F142-I165 HydrophobicContact CE2-CG2 3.56Å; F142-I165 HydrophobicContact CG-CG2 4.46Å; F142-I165 HydrophobicContact CZ-CG2 3.61Å; F142-I165 CarbonylContact O-C 3.54Å; F142-I165 WeakPolarHBondContact O-CA 3.38Å; F142-I165 WeakPolarHBondContact O-CB 3.46Å; F142-C166 VanDerWaalsContact C-SG 3.55Å; F142-C166 PolarHBondContact O-N 3.27Å; F142-C166 PolarHBondContact O-SG 3Å
143H98.7Very high97.7Very high2 Ų236.3 Ų36.31%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-87.3129.2173.1-57.6-62000109.9S73 I74 L75 C166 S167 L324 H328S73-H143 PolarHBondContact O-N 2.85Å; I74-H143 CarbonylContact C-O 3.57Å; I74-H143 WeakPolarHBondContact CA-O 3.24Å; I74-H143 HydrophobicContact CG1-CB 4.17Å; I74-H143 HydrophobicContact CG2-CB 4.43Å; L75-H143 PolarHBondContact N-O 2.82Å; H143-C166 PolarHBondContact CE1-SG 3.35Å; H143-C166 PolarHBondContact ND1-SG 3.07Å; H143-S167 PolarHBondContact ND1-OG 3.25Å; H143-L324 HydrophobicContact CB-CD2 3.94Å; H143-L324 VanDerWaalsContact CG-CD2 3.47Å; H143-L324 WeakPolarHBondContact ND1-CD2 3.42Å; H143-H328 AromaticContact CE1-CE1 3.92Å; H143-H328 AromaticContact NE2-CE1 3.36Å; H143-H328 PolarHBondContact NE2-CE1 3.03Å; H143-H328 AromaticContact NE2-NE2 3.71Å
144L98.9Very high97.8Very high1 Ų132 Ų321%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-108.9127177.6-177.658.5000110.4L75 L77 F142 A154 Y157 I165 S167 L168 C169L75-L144 HydrophobicContact CB-CD1 4.1Å; L75-L144 HydrophobicContact CD2-CD1 3.97Å; L75-L144 HydrophobicContact CG-CD1 3.93Å; L77-L144 HydrophobicContact CD1-CD1 4.02Å; L77-L144 HydrophobicContact CD2-CD1 4.41Å; L77-L144 HydrophobicContact CG-CD1 3.93Å; F142-L144 HydrophobicContact CE2-CB 4.15Å; F142-L144 HydrophobicContact CE2-CD1 4.3Å; L144-A154 HydrophobicContact CD1-CB 4.47Å; L144-A154 HydrophobicContact CD2-CB 3.87Å; L144-A154 HydrophobicContact CG-CB 3.88Å; L144-Y157 HydrophobicContact CD2-CD1 3.71Å; L144-Y157 HydrophobicContact CD2-CG 3.99Å; L144-I165 HydrophobicContact CB-CD1 4.45Å; L144-I165 HydrophobicContact CB-CG2 3.99Å; L144-I165 HydrophobicContact CD2-CD1 4.47Å; L144-I165 HydrophobicContact CD2-CG2 4.4Å; L144-S167 PolarHBondContact N-O 3.49Å; L144-L168 HydrophobicContact CB-CD1 4.33Å; L144-L168 HydrophobicContact CD2-CD1 4.27Å; L144-L168 HydrophobicContact CG-CD1 4.22Å; L144-L168 CarbonylContact O-C 3.59Å; L144-L168 WeakPolarHBondContact O-CA 3.23Å; L144-C169 PolarHBondContact O-N 3.32Å
145I98.9Very high97.9Very high2 Ų230 Ų301%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-124.6128.1178.9-49.1-174.8000108.3I74 L75 M76 L77 W87 C169 I320I74-I145 HydrophobicContact CG2-CD1 3.52Å; I74-I145 HydrophobicContact CG2-CG1 3.92Å; L75-I145 PolarHBondContact O-N 2.98Å; M76-I145 CarbonylContact C-O 3.5Å; M76-I145 WeakPolarHBondContact CA-O 3.14Å; M76-I145 HydrophobicContact CG-CB 4.09Å; M76-I145 HydrophobicContact CG-CD1 4.37Å; L77-I145 PolarHBondContact N-O 3.14Å; W87-I145 HydrophobicContact CH2-CG2 3.76Å; W87-I145 HydrophobicContact CZ3-CG2 4.2Å; I145-C169 WeakPolarHBondContact CA-O 3.38Å; I145-C169 HydrophobicContact CB-CB 4.25Å; I145-C169 HydrophobicContact CG1-CB 3.96Å; I145-C169 HydrophobicContact CG2-CB 3.96Å; I145-I320 HydrophobicContact CD1-CD1 3.96Å; I145-I320 HydrophobicContact CD1-CG1 4.18Å; I145-I320 HydrophobicContact CD1-CG2 3.72Å
146G98.8Very high97.9Very high0 Ų028 Ų280%013%0.134CC..EExtended strand (participates in β ladder)trans-135.5142.6178.700000111.7L77 G151 C169 V171L77-G146 WeakPolarHBondContact O-CA 3.47Å; G146-G151 VanDerWaalsContact C-CA 3.43Å; G146-G151 VanDerWaalsContact C-N 3.34Å; G146-C169 PolarHBondContact N-O 2.92Å; G146-V171 PolarHBondContact O-N 3.42Å
147T98.6Very high98Very high7 Ų721.7 Ų21.74%0.04311%0.107CC..EExtended strand (participates in β ladder)trans-121.2139.4174.4-175.40000112.4L77 G79 M86 W87 M149 G150 G151 V171L77-T147 PolarHBondContact O-N 2.94Å; L77-T147 VanDerWaalsContact O-N 3.15Å; G79-T147 VanDerWaalsContact CA-O 3.32Å; G79-T147 WeakPolarHBondContact CA-O 3.29Å; G79-T147 PolarHBondContact N-O 2.82Å; M86-T147 HydrophobicContact CE-CG2 3.22Å; M86-T147 HydrophobicContact SD-CG2 4.44Å; W87-T147 HydrophobicContact CH2-CG2 4.12Å; W87-T147 HydrophobicContact CZ2-CG2 3.82Å; T147-M149 PolarHBondContact O-N 3.43Å; T147-G150 WeakPolarHBondContact O-CA 3.36Å; T147-G150 PolarHBondContact O-N 3.27Å; T147-G151 VanDerWaalsContact C-N 3.34Å; T147-G151 PolarHBondContact O-N 3.31Å; T147-V171 CarbonylContact C-O 3.49Å; T147-V171 WeakPolarHBondContact CA-O 3.42Å; T147-V171 PolarHBondContact OG1-O 3.26Å
148S97.9Very high98.1Very high14 Ų1421.1 Ų21.110%0.09810%0.104CC..THydrogen-bonded Turntrans53.9-123.9178.5-170.80000111.5G150 G151 H152 V171 C172 P173 A174 H306S148-G150 VanDerWaalsContact C-N 3.28Å; S148-G150 PolarHBondContact O-N 3.15Å; S148-G151 CarbonylContact O-C 3.09Å; S148-G151 WeakPolarHBondContact O-CA 3.29Å; S148-G151 PolarHBondContact O-N 3.26Å; S148-H152 PolarHBondContact O-N 3.44Å; S148-V171 PolarHBondContact N-O 3.11Å; S148-C172 WeakPolarHBondContact CA-O 3.28Å; S148-C172 PolarHBondContact N-O 3.38Å; S148-P173 WeakPolarHBondContact O-CA 3.4Å; S148-A174 PolarHBondContact O-N 3.38Å; S148-H306 VanDerWaalsContact CB-NE2 3.26Å; S148-H306 WeakPolarHBondContact CB-NE2 3.31Å; S148-H306 PolarHBondContact OG-CE1 2.94Å; S148-H306 PolarHBondContact OG-NE2 3.24Å
149M98.4Very high98.2Very high3 Ų319.3 Ų19.32%0.01510%0.095CC..Hα-helixtrans-52.9-41.2170.8-174.9-160.78300113.2F80 M105 T147 G151 H152 V153 I250F80-M149 HydrophobicContact CB-CB 3.89Å; F80-M149 HydrophobicContact CB-CG 4.42Å; F80-M149 HydrophobicContact CB-SD 3.92Å; F80-M149 HydrophobicContact CD2-SD 4.06Å; M105-M149 HydrophobicContact CB-CE 4.06Å; M105-M149 HydrophobicContact CE-CE 4.14Å; M105-M149 HydrophobicContact CG-CE 4.11Å; T147-M149 PolarHBondContact O-N 3.43Å; M149-G151 PolarHBondContact O-N 2.59Å; M149-H152 VanDerWaalsContact O-CB 3.26Å; M149-H152 WeakPolarHBondContact O-CB 3.32Å; M149-H152 PolarHBondContact O-N 3.18Å; M149-V153 PolarHBondContact O-N 3.41Å; M149-I250 HydrophobicContact CG-CD1 3.8Å; M149-I250 HydrophobicContact SD-CD1 3.34Å; M149-I250 WeakPolarHBondContact SD-CD1 3.13Å
150G98.7Very high98.4Very high0 Ų016.3 Ų16.30%08%0.081CC..Hα-helixtrans-64.9-29.7174.700000112.4H78 T147 S148 A154H78-G150 VanDerWaalsContact O-CA 3.29Å; H78-G150 WeakPolarHBondContact O-CA 3.41Å; H78-G150 PolarHBondContact O-N 3.09Å; T147-G150 WeakPolarHBondContact O-CA 3.36Å; T147-G150 PolarHBondContact O-N 3.27Å; S148-G150 VanDerWaalsContact C-N 3.28Å; S148-G150 PolarHBondContact O-N 3.15Å; G150-A154 WeakPolarHBondContact O-CB 3.32Å; G150-A154 PolarHBondContact O-N 3.17Å
151G98.8Very high98.6Very high0 Ų012.8 Ų12.80%06%0.064CC..Hα-helixtrans-70.6-38.9171.800000112.4G146 T147 S148 M149 A154 G155 L170G146-G151 VanDerWaalsContact C-CA 3.43Å; G146-G151 VanDerWaalsContact C-N 3.34Å; T147-G151 VanDerWaalsContact C-N 3.34Å; T147-G151 PolarHBondContact O-N 3.31Å; S148-G151 CarbonylContact O-C 3.09Å; S148-G151 WeakPolarHBondContact O-CA 3.29Å; S148-G151 PolarHBondContact O-N 3.26Å; M149-G151 PolarHBondContact O-N 2.59Å; G151-A154 PolarHBondContact O-N 2.9Å; G151-G155 PolarHBondContact O-N 2.85Å; G151-L170 VanDerWaalsContact O-CD2 3.31Å; G151-L170 WeakPolarHBondContact O-CD2 3.35Å
152H98.7Very high98.6Very high1 Ų112.5 Ų12.51%0.0056%0.062CC..Hα-helixtrans-57.3-54.2171.7-167.3169.2000110.6I121 S148 M149 A154 G155 V156 A174 G175 S255 L259I121-H152 HydrophobicContact CD1-CB 4.25Å; I121-H152 WeakPolarHBondContact CD1-ND1 3.38Å; S148-H152 PolarHBondContact O-N 3.44Å; M149-H152 VanDerWaalsContact O-CB 3.26Å; M149-H152 WeakPolarHBondContact O-CB 3.32Å; M149-H152 PolarHBondContact O-N 3.18Å; H152-A154 VanDerWaalsContact C-N 3.35Å; H152-A154 PolarHBondContact O-N 3.49Å; H152-G155 PolarHBondContact O-N 2.83Å; H152-V156 WeakPolarHBondContact O-CG2 3.35Å; H152-V156 PolarHBondContact O-N 3.12Å; H152-V156 VanDerWaalsContact O-N 3.15Å; H152-A174 HydrophobicContact CB-CB 4.14Å; H152-A174 WeakPolarHBondContact CB-O 3.49Å; H152-G175 WeakPolarHBondContact CE1-CA 3.5Å; H152-G175 WeakPolarHBondContact ND1-CA 3.45Å; H152-G175 WeakPolarHBondContact NE2-CA 3.3Å; H152-S255 PolarHBondContact CE1-O 2.99Å; H152-S255 PolarHBondContact NE2-O 3.25Å; H152-L259 PolarHBondContact NE2-N 3.47Å; H152-L259 VanDerWaalsContact NE2-N 3.11Å
153V98.9Very high98.5Very high0 Ų016.9 Ų16.90%09%0.093CC..Hα-helixtrans-61.4-43177.5176.30000111L77 M105 I121 Q124 V125 V128 M149 G155 V156 Y157L77-V153 HydrophobicContact CD1-CB 4.35Å; L77-V153 HydrophobicContact CD1-CG1 4.05Å; M105-V153 HydrophobicContact CE-CB 3.99Å; M105-V153 HydrophobicContact CE-CG1 3.95Å; M105-V153 HydrophobicContact CE-CG2 3.85Å; I121-V153 HydrophobicContact CD1-CG2 4.01Å; Q124-V153 HydrophobicContact CB-CG1 4.39Å; Q124-V153 HydrophobicContact CB-CG2 3.7Å; Q124-V153 HydrophobicContact CG-CG2 4.46Å; V125-V153 HydrophobicContact CG2-CG1 3.8Å; V128-V153 HydrophobicContact CG2-CG1 4.06Å; M149-V153 PolarHBondContact O-N 3.41Å; V153-G155 PolarHBondContact O-N 3.37Å; V153-V156 PolarHBondContact O-N 3.03Å; V153-Y157 VanDerWaalsContact O-CB 3.24Å; V153-Y157 WeakPolarHBondContact O-CB 3.37Å; V153-Y157 PolarHBondContact O-N 3.37Å
154A98.9Very high98.5Very high0 Ų017.4 Ų17.40%010%0.096CC..Hα-helixtrans-62.4-40.7-179.800000113.1L77 L144 G150 G151 H152 Y157 A158 L168 L170L77-A154 HydrophobicContact CD1-CB 4.12Å; L144-A154 HydrophobicContact CD1-CB 4.47Å; L144-A154 HydrophobicContact CD2-CB 3.87Å; L144-A154 HydrophobicContact CG-CB 3.88Å; G150-A154 WeakPolarHBondContact O-CB 3.32Å; G150-A154 PolarHBondContact O-N 3.17Å; G151-A154 PolarHBondContact O-N 2.9Å; H152-A154 VanDerWaalsContact C-N 3.35Å; H152-A154 PolarHBondContact O-N 3.49Å; A154-Y157 PolarHBondContact O-N 3.03Å; A154-A158 WeakPolarHBondContact O-CB 3.34Å; A154-A158 PolarHBondContact O-N 2.91Å; A154-L168 HydrophobicContact CB-CD1 3.85Å; A154-L170 HydrophobicContact CB-CD2 4.29Å
155G98.8Very high98.5Very high0 Ų017.6 Ų17.60%010%0.097CC..Hα-helixtrans-69.3-41.4178.100000112.7G151 H152 V153 A158 A159 I266G151-G155 PolarHBondContact O-N 2.85Å; H152-G155 PolarHBondContact O-N 2.83Å; V153-G155 PolarHBondContact O-N 3.37Å; G155-A158 WeakPolarHBondContact O-CB 3.34Å; G155-A158 PolarHBondContact O-N 3.44Å; G155-A159 PolarHBondContact O-N 3.17Å; G155-A159 VanDerWaalsContact O-N 3.15Å; G155-I266 WeakPolarHBondContact O-CD1 3.34Å
156V98.8Very high98.4Very high0 Ų018.4 Ų18.40%010%0.102CC..Hα-helixtrans-67.2-39174.4-178.50000111I121 V125 H152 V153 A158 A159 Y160 L259I121-V156 HydrophobicContact CG2-CB 4.36Å; I121-V156 HydrophobicContact CG2-CG2 3.95Å; V125-V156 HydrophobicContact CG2-CB 3.82Å; V125-V156 HydrophobicContact CG2-CG1 3.8Å; H152-V156 WeakPolarHBondContact O-CG2 3.35Å; H152-V156 PolarHBondContact O-N 3.12Å; H152-V156 VanDerWaalsContact O-N 3.15Å; V153-V156 PolarHBondContact O-N 3.03Å; V156-A158 VanDerWaalsContact C-N 3.32Å; V156-A158 PolarHBondContact O-N 3.1Å; V156-A159 WeakPolarHBondContact O-CB 3.45Å; V156-A159 PolarHBondContact O-N 2.97Å; V156-A159 VanDerWaalsContact O-N 3.15Å; V156-Y160 HydrophobicContact CG1-CD2 4.14Å; V156-Y160 HydrophobicContact CG1-CE1 4.34Å; V156-Y160 HydrophobicContact CG1-CE2 3.8Å; V156-Y160 PolarHBondContact O-N 3.32Å; V156-L259 HydrophobicContact CG2-CB 4.38Å
157Y98.9Very high98.3Very high1 Ų118.5 Ų18.50%0.00410%0.103CC..Hα-helixtrans-56.6-46.2172.1-172.4-75.4000111.4V125 V128 H129 F142 L144 V153 A154 A159 Y160 Y161 D164 I165V125-Y157 HydrophobicContact CG1-CD2 4.23Å; V128-Y157 HydrophobicContact CG1-CD2 4.03Å; V128-Y157 HydrophobicContact CG1-CE2 4.09Å; H129-Y157 HydrophobicContact CB-CE2 3.83Å; H129-Y157 AromaticContact ND1-CE2 3.91Å; H129-Y157 AromaticContact ND1-CZ 3.77Å; H129-Y157 PolarHBondContact ND1-OH 2.86Å; F142-Y157 HydrophobicContact CZ-CE1 4.21Å; L144-Y157 HydrophobicContact CD2-CD1 3.71Å; L144-Y157 HydrophobicContact CD2-CG 3.99Å; V153-Y157 VanDerWaalsContact O-CB 3.24Å; V153-Y157 WeakPolarHBondContact O-CB 3.37Å; V153-Y157 PolarHBondContact O-N 3.37Å; A154-Y157 PolarHBondContact O-N 3.03Å; Y157-A159 PolarHBondContact O-N 3.43Å; Y157-Y160 PolarHBondContact O-N 2.87Å; Y157-Y160 VanDerWaalsContact O-N 3.16Å; Y157-Y161 HydrophobicContact CD1-CD2 4.27Å; Y157-Y161 AromaticContact CD2-CD2 3.9Å; Y157-Y161 HydrophobicContact CD2-CD2 3.9Å; Y157-Y161 HydrophobicContact CD2-CE2 4.41Å; Y157-Y161 HydrophobicContact CE1-CD2 4.16Å; Y157-Y161 HydrophobicContact CE1-CG 4.32Å; Y157-Y161 AromaticContact CE2-CD2 3.82Å; Y157-Y161 HydrophobicContact CE2-CD2 3.82Å; Y157-Y161 HydrophobicContact CE2-CE2 4.35Å; Y157-Y161 HydrophobicContact CG-CD2 4.12Å; Y157-Y161 AromaticContact CZ-CD2 3.92Å; Y157-Y161 PolarHBondContact O-N 2.81Å; Y157-D164 HydrophobicContact CE1-CB 4.03Å; Y157-D164 PolarHBondContact OH-OD2 2.87Å; Y157-I165 HydrophobicContact CD1-CG2 4.37Å; Y157-I165 HydrophobicContact CE1-CG2 4.05Å
158A98.7Very high98.4Very high0 Ų018.2 Ų18.20%010%0.101CC..Hα-helixtrans-62.6-31.2178.800000113.2A154 G155 V156 I165 L168 I266A154-A158 WeakPolarHBondContact O-CB 3.34Å; A154-A158 PolarHBondContact O-N 2.91Å; G155-A158 WeakPolarHBondContact O-CB 3.34Å; G155-A158 PolarHBondContact O-N 3.44Å; V156-A158 VanDerWaalsContact C-N 3.32Å; V156-A158 PolarHBondContact O-N 3.1Å; A158-I165 HydrophobicContact CB-CD1 3.45Å; A158-I165 VanDerWaalsContact CB-CD1 3.45Å; A158-L168 HydrophobicContact CB-CD1 4.33Å; A158-L168 HydrophobicContact CB-CD2 3.79Å; A158-L168 HydrophobicContact CB-CG 4.5Å; A158-I266 HydrophobicContact CB-CG1 4.28Å; A158-I266 HydrophobicContact CB-CG2 4.23Å
159A98.4Very high98.4Very high13 Ų1317.7 Ų17.711%0.10710%0.097CC..Hα-helixtrans-72.8-36174.500000112.8G155 V156 Y157 N262 K265 I266G155-A159 PolarHBondContact O-N 3.17Å; G155-A159 VanDerWaalsContact O-N 3.15Å; V156-A159 WeakPolarHBondContact O-CB 3.45Å; V156-A159 PolarHBondContact O-N 2.97Å; V156-A159 VanDerWaalsContact O-N 3.15Å; Y157-A159 PolarHBondContact O-N 3.43Å; A159-N262 HydrophobicContact CB-CB 3.81Å; A159-K265 HydrophobicContact CB-CB 3.88Å; A159-I266 HydrophobicContact CB-CG1 4.27Å
160Y98.6Very high98.4Very high99 Ų9917.5 Ų17.539%0.38810%0.097SC..Hα-helixtrans-88.1-35.2-176.1-69.8-2.4000113.6D122 V125 V156 Y157 P162D122-Y160 WeakPolarHBondContact OD1-CE2 3.42Å; D122-Y160 PolarHBondContact OD1-OH 2.89Å; D122-Y160 VanDerWaalsContact OD1-OH 3.14Å; V125-Y160 HydrophobicContact CG1-CD2 4Å; V156-Y160 HydrophobicContact CG1-CD2 4.14Å; V156-Y160 HydrophobicContact CG1-CE1 4.34Å; V156-Y160 HydrophobicContact CG1-CE2 3.8Å; V156-Y160 PolarHBondContact O-N 3.32Å; Y157-Y160 PolarHBondContact O-N 2.87Å; Y157-Y160 VanDerWaalsContact O-N 3.16Å; Y160-P162 WeakPolarHBondContact O-CD 3.39Å
161Y98.4Very high98.4Very high60 Ų6017.5 Ų17.524%0.23510%0.097CC..  trans-126.155.7-175-52-75000111.7V125 H129 Y157 S163 D164V125-Y161 HydrophobicContact CG1-CD2 4.41Å; V125-Y161 HydrophobicContact CG1-CE2 3.83Å; H129-Y161 HydrophobicContact CB-CD2 4.48Å; H129-Y161 HydrophobicContact CB-CE2 3.91Å; H129-Y161 AromaticContact CD2-CE1 3.75Å; H129-Y161 AromaticContact CD2-CZ 3.77Å; H129-Y161 AromaticContact CE1-CD1 3.52Å; H129-Y161 AromaticContact CE1-CE1 3.62Å; H129-Y161 AromaticContact CE1-CG 3.99Å; H129-Y161 AromaticContact CG-CE1 3.88Å; H129-Y161 AromaticContact CG-CE2 3.86Å; H129-Y161 AromaticContact CG-CZ 3.65Å; H129-Y161 AromaticContact ND1-CD1 3.74Å; H129-Y161 AromaticContact ND1-CD2 3.94Å; H129-Y161 AromaticContact ND1-CE1 3.81Å; H129-Y161 AromaticContact ND1-CG 3.8Å; H129-Y161 AromaticContact ND1-CZ 3.94Å; H129-Y161 AromaticContact NE2-CD1 3.93Å; H129-Y161 AromaticContact NE2-CE1 3.57Å; Y157-Y161 HydrophobicContact CD1-CD2 4.27Å; Y157-Y161 AromaticContact CD2-CD2 3.9Å; Y157-Y161 HydrophobicContact CD2-CD2 3.9Å; Y157-Y161 HydrophobicContact CD2-CE2 4.41Å; Y157-Y161 HydrophobicContact CE1-CD2 4.16Å; Y157-Y161 HydrophobicContact CE1-CG 4.32Å; Y157-Y161 AromaticContact CE2-CD2 3.82Å; Y157-Y161 HydrophobicContact CE2-CD2 3.82Å; Y157-Y161 HydrophobicContact CE2-CE2 4.35Å; Y157-Y161 HydrophobicContact CG-CD2 4.12Å; Y157-Y161 AromaticContact CZ-CD2 3.92Å; Y157-Y161 PolarHBondContact O-N 2.81Å; Y161-S163 PolarHBondContact O-N 2.78Å; Y161-S163 VanDerWaalsContact O-N 3.14Å; Y161-D164 WeakPolarHBondContact O-CB 3.15Å; Y161-D164 PolarHBondContact O-N 3.01Å; Y161-D164 VanDerWaalsContact O-N 3.1Å
162P96.8Very high98.4Very high58 Ų5817.5 Ų17.538%0.37710%0.097SC..G310 helixtrans-63.2-22.6-175.926.7-35.8000113.4Y160 D164Y160-P162 WeakPolarHBondContact O-CD 3.39Å; P162-D164 VanDerWaalsContact C-N 3.33Å
163S97.6Very high98.4Very high93 Ų9317.5 Ų17.565%0.6510%0.096SC*.G310 helixtrans-72.2-23.717753.90000114Y161 I165Y161-S163 PolarHBondContact O-N 2.78Å; Y161-S163 VanDerWaalsContact O-N 3.14Å; S163-I165 VanDerWaalsContact C-N 3.32Å
164D98.4Very high98.3Very high14 Ų1418.3 Ų18.38%0.07510%0.103CC..G310 helixtrans-78.3-20.1-175.9-76.83.4000112.5H129 N138 P141 F142 Y157 Y161 P162H129-D164 IonicContact CE1-OD2 3.97Å; H129-D164 PolarHBondContact CE1-OD2 3.03Å; H129-D164 IonicContact ND1-OD2 3.88Å; H129-D164 PolarHBondContact ND1-OD2 3.03Å; N138-D164 HydrophobicContact CB-CB 4.29Å; P141-D164 VanDerWaalsContact CA-O 3.27Å; P141-D164 WeakPolarHBondContact CA-O 3.47Å; F142-D164 WeakPolarHBondContact CD1-O 3.41Å; F142-D164 HydrophobicContact CE1-CB 3.97Å; F142-D164 VanDerWaalsContact CE1-O 3.24Å; F142-D164 WeakPolarHBondContact CE1-O 3.46Å; F142-D164 HydrophobicContact CZ-CB 4.46Å; F142-D164 PolarHBondContact N-O 2.86Å; Y157-D164 HydrophobicContact CE1-CB 4.03Å; Y157-D164 PolarHBondContact OH-OD2 2.87Å; Y161-D164 WeakPolarHBondContact O-CB 3.15Å; Y161-D164 PolarHBondContact O-N 3.01Å; Y161-D164 VanDerWaalsContact O-N 3.1Å; P162-D164 VanDerWaalsContact C-N 3.33Å
165I97.9Very high98.2Very high5 Ų518.6 Ų18.63%0.02611%0.107CC..EExtended strand (participates in β ladder)trans-125.1142-17166.7173.6000111.8F142 L144 Y157 A158 S163 V268F142-I165 HydrophobicContact CD2-CG2 4.01Å; F142-I165 HydrophobicContact CE1-CG2 4.12Å; F142-I165 HydrophobicContact CE2-CG2 3.56Å; F142-I165 HydrophobicContact CG-CG2 4.46Å; F142-I165 HydrophobicContact CZ-CG2 3.61Å; F142-I165 CarbonylContact O-C 3.54Å; F142-I165 WeakPolarHBondContact O-CA 3.38Å; F142-I165 WeakPolarHBondContact O-CB 3.46Å; L144-I165 HydrophobicContact CB-CD1 4.45Å; L144-I165 HydrophobicContact CB-CG2 3.99Å; L144-I165 HydrophobicContact CD2-CD1 4.47Å; L144-I165 HydrophobicContact CD2-CG2 4.4Å; Y157-I165 HydrophobicContact CD1-CG2 4.37Å; Y157-I165 HydrophobicContact CE1-CG2 4.05Å; A158-I165 HydrophobicContact CB-CD1 3.45Å; A158-I165 VanDerWaalsContact CB-CD1 3.45Å; S163-I165 VanDerWaalsContact C-N 3.32Å; I165-V268 HydrophobicContact CD1-CG2 3.8Å; I165-V268 HydrophobicContact CG1-CG1 4.08Å; I165-V268 HydrophobicContact CG1-CG2 4.17Å
166C96.7Very high98Very high19 Ų1918.9 Ų18.913%0.12811%0.108CC..EExtended strand (participates in β ladder)trans-96.7-18.7173.351.30000112.9P141 F142 H143P141-C166 HydrophobicContact CB-CB 3.75Å; F142-C166 VanDerWaalsContact C-SG 3.55Å; F142-C166 PolarHBondContact O-N 3.27Å; F142-C166 PolarHBondContact O-SG 3Å; H143-C166 PolarHBondContact CE1-SG 3.35Å; H143-C166 PolarHBondContact ND1-SG 3.07Å
167S98.5Very high97.8Very high2 Ų223.4 Ų23.41%0.01413%0.129CC..EExtended strand (participates in β ladder)trans-157.9158.9171.975.10000112.2H143 L144 P269H143-S167 PolarHBondContact ND1-OG 3.25Å; L144-S167 PolarHBondContact N-O 3.49Å; S167-P269 WeakPolarHBondContact CA-O 3.36Å
168L98.9Very high97.3Very high0 Ų025 Ų250%014%0.135CC..EExtended strand (participates in β ladder)trans-120.1136.7176.4-179.765.5000110.4L144 A154 A158 L170 I266 V268 P269 T270 Q271L144-L168 HydrophobicContact CB-CD1 4.33Å; L144-L168 HydrophobicContact CD2-CD1 4.27Å; L144-L168 HydrophobicContact CG-CD1 4.22Å; L144-L168 CarbonylContact O-C 3.59Å; L144-L168 WeakPolarHBondContact O-CA 3.23Å; A154-L168 HydrophobicContact CB-CD1 3.85Å; A158-L168 HydrophobicContact CB-CD1 4.33Å; A158-L168 HydrophobicContact CB-CD2 3.79Å; A158-L168 HydrophobicContact CB-CG 4.5Å; L168-L170 HydrophobicContact CD1-CD2 3.89Å; L168-L170 HydrophobicContact CD1-CG 4.43Å; L168-L170 HydrophobicContact CD2-CD1 3.98Å; L168-L170 HydrophobicContact CD2-CD2 3.93Å; L168-L170 HydrophobicContact CD2-CG 3.87Å; L168-L170 HydrophobicContact CG-CD2 3.92Å; L168-L170 HydrophobicContact CG-CG 3.92Å; L168-I266 HydrophobicContact CD2-CD1 4.13Å; L168-I266 HydrophobicContact CD2-CG2 3.99Å; L168-V268 HydrophobicContact CB-CG2 3.95Å; L168-P269 PolarHBondContact N-O 3.35Å; L168-T270 HydrophobicContact CB-CG2 4.25Å; L168-T270 HydrophobicContact CD2-CG2 4.04Å; L168-T270 HydrophobicContact CG-CG2 4.22Å; L168-T270 CarbonylContact O-C 3.5Å; L168-T270 VanDerWaalsContact O-CA 3.24Å; L168-T270 WeakPolarHBondContact O-CA 3.26Å; L168-Q271 PolarHBondContact O-N 2.82Å
169C98.9Very high96.6Very high3 Ų330.8 Ų30.82%0.0218%0.176CC..EExtended strand (participates in β ladder)trans-123.8117.8168-179.80000109.5L144 I145 G146 Q271L144-C169 PolarHBondContact O-N 3.32Å; I145-C169 WeakPolarHBondContact CA-O 3.38Å; I145-C169 HydrophobicContact CB-CB 4.25Å; I145-C169 HydrophobicContact CG1-CB 3.96Å; I145-C169 HydrophobicContact CG2-CB 3.96Å; G146-C169 PolarHBondContact N-O 2.92Å; C169-Q271 CarbonylContact C-O 3.58Å; C169-Q271 WeakPolarHBondContact CA-O 3.48Å; C169-Q271 HydrophobicContact CB-CB 4.42Å; C169-Q271 PolarHBondContact SG-OE1 2.83Å
170L98.9Very high95.8Very high0 Ų035.1 Ų35.10%020%0.201CC..EExtended strand (participates in β ladder)trans-106.3116.3-179.3-63180000109.5G151 A154 L168 P173 T270 Q271 I272 I273 L289G151-L170 VanDerWaalsContact O-CD2 3.31Å; G151-L170 WeakPolarHBondContact O-CD2 3.35Å; A154-L170 HydrophobicContact CB-CD2 4.29Å; L168-L170 HydrophobicContact CD1-CD2 3.89Å; L168-L170 HydrophobicContact CD1-CG 4.43Å; L168-L170 HydrophobicContact CD2-CD1 3.98Å; L168-L170 HydrophobicContact CD2-CD2 3.93Å; L168-L170 HydrophobicContact CD2-CG 3.87Å; L168-L170 HydrophobicContact CG-CD2 3.92Å; L168-L170 HydrophobicContact CG-CG 3.92Å; L170-P173 HydrophobicContact CB-CB 4.37Å; L170-P173 HydrophobicContact CB-CG 3.91Å; L170-P173 HydrophobicContact CD1-CG 4.32Å; L170-P173 HydrophobicContact CD2-CB 4.43Å; L170-T270 HydrophobicContact CD1-CG2 4.28Å; L170-T270 HydrophobicContact CG-CG2 4.41Å; L170-Q271 PolarHBondContact N-O 3.47Å; L170-I272 WeakPolarHBondContact O-CA 3.3Å; L170-I273 PolarHBondContact O-N 3.45Å; L170-L289 HydrophobicContact CD1-CD1 3.99Å; L170-L289 HydrophobicContact CD1-CD2 4.41Å
171V98.8Very high95Very high0 Ų032.4 Ų32.40%019%0.193CC..EExtended strand (participates in β ladder)trans-111.2102-179.3-173.50000109.9G146 T147 S148 I273 V308 V309G146-V171 PolarHBondContact O-N 3.42Å; T147-V171 CarbonylContact C-O 3.49Å; T147-V171 WeakPolarHBondContact CA-O 3.42Å; T147-V171 PolarHBondContact OG1-O 3.26Å; S148-V171 PolarHBondContact N-O 3.11Å; V171-I273 CarbonylContact C-O 3.58Å; V171-I273 WeakPolarHBondContact CA-O 3.12Å; V171-I273 HydrophobicContact CG1-CB 4.46Å; V171-I273 HydrophobicContact CG2-CB 4.35Å; V171-I273 HydrophobicContact CG2-CD1 4.37Å; V171-V308 HydrophobicContact CG1-CB 3.64Å; V171-V308 HydrophobicContact CG1-CG1 3.84Å; V171-V308 HydrophobicContact CG1-CG2 4.11Å; V171-V309 HydrophobicContact CG1-CG1 4.46Å
172C98.1Very high94.2Very high0 Ų030.9 Ų30.90%019%0.189CC..SBendtrans44.254.9-171.4-58.50000113S148 I273 W274 D278 L281S148-C172 WeakPolarHBondContact CA-O 3.28Å; S148-C172 PolarHBondContact N-O 3.38Å; C172-I273 PolarHBondContact N-O 2.95Å; C172-W274 HydrophobicContact CB-CD2 4.3Å; C172-W274 HydrophobicContact CB-CZ2 4.42Å; C172-W274 VanDerWaalsContact SG-CD1 3.52Å; C172-D278 WeakPolarHBondContact CB-OD2 3.39Å; C172-D278 PolarHBondContact SG-OD2 3.49Å; C172-L281 WeakPolarHBondContact O-CD1 3.43Å
173P98.4Very high93.4Very high0 Ų036.2 Ų36.20%021%0.209CC..  trans-63.5140.7-17729.7-40.6000113S148 L170 L259 W274 L281 L289S148-P173 WeakPolarHBondContact O-CA 3.4Å; L170-P173 HydrophobicContact CB-CB 4.37Å; L170-P173 HydrophobicContact CB-CG 3.91Å; L170-P173 HydrophobicContact CD1-CG 4.32Å; L170-P173 HydrophobicContact CD2-CB 4.43Å; P173-L259 HydrophobicContact CB-CD2 3.83Å; P173-L259 HydrophobicContact CG-CD2 4.2Å; P173-W274 HydrophobicContact CG-CH2 4.04Å; P173-W274 HydrophobicContact CG-CZ3 3.74Å; P173-W274 WeakPolarHBondContact O-CH2 3.3Å; P173-L281 WeakPolarHBondContact O-CD1 3.46Å; P173-L289 HydrophobicContact CG-CD1 3.62Å
174A97.3Very high92.6Very high17 Ų1732.6 Ų32.614%0.1418%0.182CC..SBendtrans-75.3178.5164.500000110.9S148 H152 L259 L281S148-A174 PolarHBondContact O-N 3.38Å; H152-A174 HydrophobicContact CB-CB 4.14Å; H152-A174 WeakPolarHBondContact CB-O 3.49Å; A174-L259 WeakPolarHBondContact O-CD2 3.25Å; A174-L281 HydrophobicContact CB-CD1 4.03Å
175G96.3Very high91.7Very high7 Ų732.9 Ų32.97%0.07218%0.184CC..  trans95.79.2172.300000116H152 R256 Y257 H260H152-G175 WeakPolarHBondContact CE1-CA 3.5Å; H152-G175 WeakPolarHBondContact ND1-CA 3.45Å; H152-G175 WeakPolarHBondContact NE2-CA 3.3Å; G175-R256 CarbonylContact C-O 3.59Å; G175-R256 VanDerWaalsContact CA-O 3.24Å; G175-R256 WeakPolarHBondContact CA-O 3.36Å; G175-Y257 CarbonylContact O-C 3.56Å; G175-Y257 WeakPolarHBondContact O-CA 3.29Å; G175-H260 PolarHBondContact O-N 2.81Å
176L95.6Very high90.9Very high6 Ų637 Ų373%0.03120%0.203CC..  trans-99.9143.1-179.3-59.2179.5000111.7Y178 Y257 L259 H260 M263 W274 G285 L289L176-Y178 HydrophobicContact CB-CE2 3.9Å; L176-Y178 WeakPolarHBondContact O-CD2 3.12Å; L176-Y178 VanDerWaalsContact O-CE2 3.3Å; L176-Y178 WeakPolarHBondContact O-CE2 3.36Å; L176-Y257 WeakPolarHBondContact O-CE1 3.43Å; L176-L259 HydrophobicContact CD2-CB 4.5Å; L176-L259 HydrophobicContact CD2-CD2 4Å; L176-L259 HydrophobicContact CD2-CG 3.99Å; L176-L259 HydrophobicContact CG-CD2 4.47Å; L176-H260 HydrophobicContact CD2-CB 4.46Å; L176-M263 HydrophobicContact CD2-SD 4.41Å; L176-W274 HydrophobicContact CD1-CH2 3.97Å; L176-W274 HydrophobicContact CD1-CZ3 4.31Å; L176-G285 WeakPolarHBondContact CD1-O 3.49Å; L176-L289 HydrophobicContact CD1-CD1 4.04Å; L176-L289 HydrophobicContact CD1-CD2 4.48Å; L176-L289 HydrophobicContact CD1-CG 3.88Å; L176-L289 HydrophobicContact CD2-CD2 3.79Å; L176-L289 HydrophobicContact CD2-CG 4.09Å
177Q93.1Very high90.1Very high95 Ų9542 Ų4244%0.44422%0.219SC..  trans-90.1126166.5-174.1170.29.700109.5Y257 H260 I288Q177-Y257 HydrophobicContact CB-CD1 3.77Å; Q177-Y257 HydrophobicContact CB-CE1 3.74Å; Q177-Y257 HydrophobicContact CB-CG 4.17Å; Q177-Y257 HydrophobicContact CG-CD1 4.47Å; Q177-Y257 HydrophobicContact CG-CE1 4.04Å; Q177-Y257 HydrophobicContact CG-CE2 4.29Å; Q177-H260 PolarHBondContact N-ND1 2.79Å; Q177-I288 WeakPolarHBondContact O-CD1 3.13Å
178Y89.6Confident89Confident34 Ų3442.7 Ų42.713%0.13322%0.223CC..  trans-104.3156.1179.4-58.7-93.3000110.1L176 T180 D282 I288L176-Y178 HydrophobicContact CB-CE2 3.9Å; L176-Y178 WeakPolarHBondContact O-CD2 3.12Å; L176-Y178 VanDerWaalsContact O-CE2 3.3Å; L176-Y178 WeakPolarHBondContact O-CE2 3.36Å; Y178-T180 VanDerWaalsContact C-N 3.25Å; Y178-T180 PolarHBondContact O-N 3.24Å; Y178-D282 HydrophobicContact CD1-CB 4.08Å; Y178-D282 HydrophobicContact CE1-CB 3.95Å; Y178-D282 WeakPolarHBondContact CE1-O 3.46Å; Y178-I288 HydrophobicContact CD1-CD1 4Å; Y178-I288 HydrophobicContact CE1-CD1 4.42Å
179S83.1Confident88Confident122 Ų12246.1 Ų46.185%0.85324%0.238SC*.SBendtrans-70.1-24.1174.655.60000113
180T82.1Confident86.9Confident103 Ų10352.1 Ų52.163%0.63227%0.265SS*.SBendtrans-143.6134.3179.8-49.80000108.7Y178Y178-T180 VanDerWaalsContact C-N 3.25Å; Y178-T180 PolarHBondContact O-N 3.24Å
181D81.3Confident85.6Confident43 Ų4353.4 Ų53.423%0.2327%0.272CS..  trans-72.8134175.9-65.5-40.4000110.1V185 Q186 K189D181-V185 HydrophobicContact CB-CB 4.1Å; D181-V185 HydrophobicContact CB-CG1 3.89Å; D181-V185 WeakPolarHBondContact OD1-CG1 3.21Å; D181-Q186 HydrophobicContact CB-CG 3.79Å; D181-Q186 PolarHBondContact O-NE2 2.82Å; D181-K189 IonicContact OD1-NZ 3.6Å; D181-K189 WeakPolarHBondContact OD2-CE 3.23Å; D181-K189 IonicContact OD2-NZ 3.56Å; D181-K189 PolarHBondContact OD2-NZ 3.04Å
182N81.4Confident84.2Confident28 Ų2857.3 Ų57.315%0.1529%0.29CS..  trans-75.2170.7169.571.810.8000111.2F184 V185 Q186 V280N182-F184 PolarHBondContact O-N 3.33Å; N182-F184 PolarHBondContact OD1-N 3.23Å; N182-V185 PolarHBondContact O-N 2.95Å; N182-V185 WeakPolarHBondContact OD1-CB 3.27Å; N182-V185 VanDerWaalsContact OD1-CG2 3.31Å; N182-V185 WeakPolarHBondContact OD1-CG2 3.48Å; N182-V185 PolarHBondContact OD1-N 3.24Å; N182-Q186 WeakPolarHBondContact O-CG 3.49Å; N182-Q186 PolarHBondContact O-N 3.18Å; N182-V280 PolarHBondContact ND2-O 3.22Å
183Q81.2Confident82.6Confident170 Ų17064.2 Ų64.279%0.79433%0.327SS*.Hα-helixtrans-56.4-36.7-178.5-68.1-177.9-0.900112.9R187Q183-R187 WeakPolarHBondContact O-CB 3.41Å; Q183-R187 PolarHBondContact O-N 3.37Å
184F81.1Confident80.9Confident16 Ų1666.5 Ų66.57%0.0734%0.343CS..Hα-helixtrans-65.5-48.4178.2174.7-108000111.8N182 Q186 R187 L188 P201 L202 L216 Q279 V280N182-F184 PolarHBondContact O-N 3.33Å; N182-F184 PolarHBondContact OD1-N 3.23Å; F184-Q186 VanDerWaalsContact C-N 3.34Å; F184-Q186 PolarHBondContact O-N 2.94Å; F184-R187 PolarHBondContact O-N 3.48Å; F184-L188 HydrophobicContact CD1-CD1 3.96Å; F184-L188 HydrophobicContact CD1-CG 4.4Å; F184-L188 HydrophobicContact CD2-CG 4.47Å; F184-L188 HydrophobicContact CE1-CD1 3.34Å; F184-L188 HydrophobicContact CE1-CG 4.02Å; F184-L188 HydrophobicContact CE2-CD1 4.25Å; F184-L188 HydrophobicContact CE2-CD2 4.08Å; F184-L188 HydrophobicContact CE2-CG 4.08Å; F184-L188 HydrophobicContact CZ-CD1 3.51Å; F184-L188 HydrophobicContact CZ-CD2 3.98Å; F184-L188 HydrophobicContact CZ-CG 3.85Å; F184-L188 WeakPolarHBondContact O-CG 3.24Å; F184-L188 PolarHBondContact O-N 3.2Å; F184-P201 HydrophobicContact CE2-CB 4.25Å; F184-P201 HydrophobicContact CE2-CG 4.29Å; F184-L202 HydrophobicContact CE2-CG 4.31Å; F184-L202 HydrophobicContact CZ-CD1 3.77Å; F184-L202 HydrophobicContact CZ-CG 3.98Å; F184-L216 HydrophobicContact CD2-CD1 4.49Å; F184-L216 HydrophobicContact CD2-CD2 3.76Å; F184-L216 HydrophobicContact CE2-CD2 3.82Å; F184-Q279 WeakPolarHBondContact CB-O 3.48Å; F184-V280 HydrophobicContact CD1-CG1 3.96Å; F184-V280 VanDerWaalsContact CD1-O 3.3Å; F184-V280 WeakPolarHBondContact CD1-O 3.4Å; F184-V280 HydrophobicContact CE1-CG1 3.69Å; F184-V280 HydrophobicContact CZ-CG1 4.21Å
185V79.4Confident78.9Confident21 Ų2170.7 Ų70.713%0.12738%0.378CS..Hα-helixtrans-64-39.3178.8173.50000111.3D181 N182 L188 K189D181-V185 HydrophobicContact CB-CB 4.1Å; D181-V185 HydrophobicContact CB-CG1 3.89Å; D181-V185 WeakPolarHBondContact OD1-CG1 3.21Å; N182-V185 PolarHBondContact O-N 2.95Å; N182-V185 WeakPolarHBondContact OD1-CB 3.27Å; N182-V185 VanDerWaalsContact OD1-CG2 3.31Å; N182-V185 WeakPolarHBondContact OD1-CG2 3.48Å; N182-V185 PolarHBondContact OD1-N 3.24Å; V185-L188 PolarHBondContact O-N 3.02Å; V185-K189 WeakPolarHBondContact O-CG 3.16Å; V185-K189 PolarHBondContact O-N 3.08Å
186Q81.1Confident77.1Confident91 Ų9172.3 Ų72.343%0.42539%0.39SS..Hα-helixtrans-59.9-49.9174.1-67.9173.812.700111D181 N182 F184 L188 K189 E190D181-Q186 HydrophobicContact CB-CG 3.79Å; D181-Q186 PolarHBondContact O-NE2 2.82Å; N182-Q186 WeakPolarHBondContact O-CG 3.49Å; N182-Q186 PolarHBondContact O-N 3.18Å; F184-Q186 VanDerWaalsContact C-N 3.34Å; F184-Q186 PolarHBondContact O-N 2.94Å; Q186-L188 VanDerWaalsContact C-N 3.27Å; Q186-L188 PolarHBondContact O-N 3.19Å; Q186-K189 PolarHBondContact O-N 3.41Å; Q186-K189 VanDerWaalsContact O-N 3.12Å; Q186-E190 WeakPolarHBondContact O-CG 3.26Å; Q186-E190 PolarHBondContact O-N 2.99Å; Q186-E190 VanDerWaalsContact O-N 3.09Å
187R78.5Confident75.7Confident124 Ų12475.1 Ų75.147%0.46841%0.405SS..Hα-helixtrans-59.7-36.2175.9-174.5174.8-178.7-176.3-1.5112.5Q183 F184 L191Q183-R187 WeakPolarHBondContact O-CB 3.41Å; Q183-R187 PolarHBondContact O-N 3.37Å; F184-R187 PolarHBondContact O-N 3.48Å; R187-L191 HydrophobicContact CG-CD1 4.28Å; R187-L191 WeakPolarHBondContact O-CB 3.47Å; R187-L191 VanDerWaalsContact O-CG 3.24Å; R187-L191 WeakPolarHBondContact O-CG 3.25Å; R187-L191 PolarHBondContact O-N 3.01Å
188L76.8Confident74.5Confident16 Ų1677.6 Ų77.68%0.08442%0.417CS..Hα-helixtrans-65.8-40.8175.8-73.8-176.7000112.6F184 V185 Q186 L191 Q192 F247F184-L188 HydrophobicContact CD1-CD1 3.96Å; F184-L188 HydrophobicContact CD1-CG 4.4Å; F184-L188 HydrophobicContact CD2-CG 4.47Å; F184-L188 HydrophobicContact CE1-CD1 3.34Å; F184-L188 HydrophobicContact CE1-CG 4.02Å; F184-L188 HydrophobicContact CE2-CD1 4.25Å; F184-L188 HydrophobicContact CE2-CD2 4.08Å; F184-L188 HydrophobicContact CE2-CG 4.08Å; F184-L188 HydrophobicContact CZ-CD1 3.51Å; F184-L188 HydrophobicContact CZ-CD2 3.98Å; F184-L188 HydrophobicContact CZ-CG 3.85Å; F184-L188 WeakPolarHBondContact O-CG 3.24Å; F184-L188 PolarHBondContact O-N 3.2Å; V185-L188 PolarHBondContact O-N 3.02Å; Q186-L188 VanDerWaalsContact C-N 3.27Å; Q186-L188 PolarHBondContact O-N 3.19Å; L188-L191 PolarHBondContact O-N 3.08Å; L188-Q192 WeakPolarHBondContact O-CG 3.14Å; L188-Q192 PolarHBondContact O-N 3.31Å; L188-F247 HydrophobicContact CD1-CE1 4.43Å; L188-F247 HydrophobicContact CD1-CZ 3.71Å; L188-F247 HydrophobicContact CD2-CE1 3.82Å; L188-F247 HydrophobicContact CD2-CZ 3.53Å; L188-F247 HydrophobicContact CG-CZ 4.26Å
189K76.2Confident73.9Confident72 Ų7282.6 Ų82.631%0.31344%0.439SS..Hα-helixtrans-62.2-45.9176-70.7177.7175.6-1760111D181 V185 Q186 L191 Q192 D193D181-K189 IonicContact OD1-NZ 3.6Å; D181-K189 WeakPolarHBondContact OD2-CE 3.23Å; D181-K189 IonicContact OD2-NZ 3.56Å; D181-K189 PolarHBondContact OD2-NZ 3.04Å; V185-K189 WeakPolarHBondContact O-CG 3.16Å; V185-K189 PolarHBondContact O-N 3.08Å; Q186-K189 PolarHBondContact O-N 3.41Å; Q186-K189 VanDerWaalsContact O-N 3.12Å; K189-L191 VanDerWaalsContact C-N 3.27Å; K189-L191 PolarHBondContact O-N 2.85Å; K189-Q192 WeakPolarHBondContact O-CB 3.3Å; K189-Q192 PolarHBondContact O-N 3.11Å; K189-D193 PolarHBondContact O-N 3.29Å
190E76.7Confident74.1Confident129 Ų12977.1 Ų77.160%0.60340%0.4SS*.Hα-helixtrans-58.6-37.5174.7-66.4170.1-178.600112.8Q186 S194Q186-E190 WeakPolarHBondContact O-CG 3.26Å; Q186-E190 PolarHBondContact O-N 2.99Å; Q186-E190 VanDerWaalsContact O-N 3.09Å; E190-S194 WeakPolarHBondContact O-CB 3.48Å; E190-S194 PolarHBondContact O-N 3.41Å; E190-S194 PolarHBondContact O-OG 3.04Å
191L72.4Confident74.5Confident27 Ų2773.4 Ų73.414%0.14138%0.378CS..Hα-helixtrans-73.3-28176.4-72.8173.4000113.4R187 L188 K189 S194 A196R187-L191 HydrophobicContact CG-CD1 4.28Å; R187-L191 WeakPolarHBondContact O-CB 3.47Å; R187-L191 VanDerWaalsContact O-CG 3.24Å; R187-L191 WeakPolarHBondContact O-CG 3.25Å; R187-L191 PolarHBondContact O-N 3.01Å; L188-L191 PolarHBondContact O-N 3.08Å; K189-L191 VanDerWaalsContact C-N 3.27Å; K189-L191 PolarHBondContact O-N 2.85Å; L191-S194 WeakPolarHBondContact CA-OG 3.29Å; L191-S194 PolarHBondContact O-OG 3.43Å; L191-A196 HydrophobicContact CD2-CB 3.85Å
192Q67.7Low75Confident82 Ų8272.1 Ų72.138%0.38337%0.371SS..Hα-helixtrans-72.4-37.4172.8-75.7177.5-44.500111.5L188 K189 S194L188-Q192 WeakPolarHBondContact O-CG 3.14Å; L188-Q192 PolarHBondContact O-N 3.31Å; K189-Q192 WeakPolarHBondContact O-CB 3.3Å; K189-Q192 PolarHBondContact O-N 3.11Å; Q192-S194 VanDerWaalsContact C-N 3.26Å; Q192-S194 PolarHBondContact O-N 3.06Å
193D66.1Low75.7Confident145 Ų14570.8 Ų70.878%0.77536%0.364SS*.Hα-helixtrans-77.8-12.1-179.5-64.6-26.2000112.9K189K189-D193 PolarHBondContact O-N 3.29Å
194S61.7Low76.3Confident49 Ų4962.8 Ų62.834%0.34333%0.326SS..SBendtrans-109.6155.6176.160.30000111.8E190 L191 Q192 A196E190-S194 WeakPolarHBondContact O-CB 3.48Å; E190-S194 PolarHBondContact O-N 3.41Å; E190-S194 PolarHBondContact O-OG 3.04Å; L191-S194 WeakPolarHBondContact CA-OG 3.29Å; L191-S194 PolarHBondContact O-OG 3.43Å; Q192-S194 VanDerWaalsContact C-N 3.26Å; Q192-S194 PolarHBondContact O-N 3.06Å; S194-A196 PolarHBondContact O-N 2.93Å; S194-A196 WeakPolarHBondContact OG-CB 3.31Å
195A55.3Low76.9Confident105 Ų10563.9 Ų63.987%0.86834%0.336SS*.SBendtrans-66.110.4171.800000113.7I197A195-I197 VanDerWaalsContact C-N 3.26Å; A195-I197 PolarHBondContact O-N 3.28Å
196A59.5Low77.7Confident40 Ų4065.2 Ų65.233%0.33134%0.344SS..  trans-86.224.1-17500000114.2L191 S194 Q198 K199L191-A196 HydrophobicContact CD2-CB 3.85Å; S194-A196 PolarHBondContact O-N 2.93Å; S194-A196 WeakPolarHBondContact OG-CB 3.31Å; A196-Q198 PolarHBondContact O-N 3.07Å; A196-K199 PolarHBondContact O-N 3.23Å
197I64.8Low78.4Confident66 Ų6661.3 Ų61.334%0.33833%0.327SS..THydrogen-bonded Turntrans-51.7-16.8174-61.1172.4000112.5A195 K199 L248A195-I197 VanDerWaalsContact C-N 3.26Å; A195-I197 PolarHBondContact O-N 3.28Å; I197-K199 PolarHBondContact O-N 3.02Å; I197-L248 HydrophobicContact CD1-CD1 4.44Å; I197-L248 HydrophobicContact CG2-CD1 3.96Å; I197-L248 HydrophobicContact CG2-CD2 4.47Å
198Q67.8Low79.2Confident147 Ų14760.3 Ų60.369%0.68733%0.327SS*.THydrogen-bonded Turntrans-68.7-28177.8-60.1-167.36.800114.2A196 R244A196-Q198 PolarHBondContact O-N 3.07Å; Q198-R244 PolarHBondContact O-NE 2.93Å; Q198-R244 PolarHBondContact O-NH2 3.13Å
199K78.7Confident80Confident138 Ų13861.7 Ų61.760%0.633%0.333SS*.  trans-113.355.9-172.8-66.2-168.8176.8-172.60113.7A196 I197 P201A196-K199 PolarHBondContact O-N 3.23Å; I197-K199 PolarHBondContact O-N 3.02Å; K199-P201 WeakPolarHBondContact O-CD 3.34Å
200I87.1Confident81Confident8 Ų858.7 Ų58.74%0.04132%0.321CS..  trans-74.6124172.8-66.8161.5000108.7L202 I203 R244 F247I200-L202 PolarHBondContact O-N 2.94Å; I200-I203 HydrophobicContact CB-CB 4.36Å; I200-I203 HydrophobicContact CB-CD1 3.95Å; I200-I203 HydrophobicContact CB-CG1 4.1Å; I200-I203 HydrophobicContact CD1-CD1 3.83Å; I200-I203 HydrophobicContact CG2-CD1 4Å; I200-I203 HydrophobicContact CG2-CG1 3.96Å; I200-I203 PolarHBondContact O-N 3.07Å; I200-R244 HydrophobicContact CD1-CG 4.22Å; I200-F247 HydrophobicContact CD1-CB 4.34Å; I200-F247 HydrophobicContact CD1-CD1 3.58Å; I200-F247 HydrophobicContact CD1-CE1 4.18Å; I200-F247 HydrophobicContact CD1-CG 4.13Å; I200-F247 HydrophobicContact CG1-CD1 4.19Å; I200-F247 HydrophobicContact CG1-CE1 4.31Å; I200-F247 HydrophobicContact CG2-CD1 3.93Å; I200-F247 HydrophobicContact CG2-CD2 4.16Å; I200-F247 HydrophobicContact CG2-CE1 3.78Å; I200-F247 HydrophobicContact CG2-CE2 4.03Å; I200-F247 HydrophobicContact CG2-CG 4.11Å; I200-F247 HydrophobicContact CG2-CZ 3.83Å
201P89.7Confident81.8Confident25 Ų2554.3 Ų54.316%0.16230%0.304CS..THydrogen-bonded Turntrans-58.6-19.8-173.9-27.534.8000115.8F184 K199 M213 L216F184-P201 HydrophobicContact CE2-CB 4.25Å; F184-P201 HydrophobicContact CE2-CG 4.29Å; K199-P201 WeakPolarHBondContact O-CD 3.34Å; P201-M213 WeakPolarHBondContact O-CB 3.28Å; P201-L216 HydrophobicContact CB-CD2 3.95Å
202L92.6Very high82.9Confident16 Ų1658.3 Ų58.38%0.08432%0.322CS..THydrogen-bonded Turntrans-92.73.9177.3-57.5-177.6000113.4F80 S81 F184 I200 M213 L216 R236 F247F80-L202 HydrophobicContact CD1-CB 3.98Å; F80-L202 HydrophobicContact CD1-CD1 4.32Å; F80-L202 HydrophobicContact CE1-CB 3.99Å; S81-L202 PolarHBondContact OG-O 3.4Å; F184-L202 HydrophobicContact CE2-CG 4.31Å; F184-L202 HydrophobicContact CZ-CD1 3.77Å; F184-L202 HydrophobicContact CZ-CG 3.98Å; I200-L202 PolarHBondContact O-N 2.94Å; L202-M213 HydrophobicContact CD2-CG 4.42Å; L202-L216 HydrophobicContact CD2-CD2 4.18Å; L202-R236 PolarHBondContact O-NH2 2.98Å; L202-F247 HydrophobicContact CD1-CE2 4.2Å
203I94.6Very high84.2Confident0 Ų055.5 Ų55.50%031%0.31CS..SBendtrans-128.969.4-178.5-48.6176.7000109.3F80 I200 N240 R244 F247F80-I203 HydrophobicContact CE1-CD1 4.09Å; F80-I203 HydrophobicContact CE1-CG1 3.68Å; F80-I203 HydrophobicContact CZ-CD1 3.77Å; F80-I203 HydrophobicContact CZ-CG1 3.85Å; I200-I203 HydrophobicContact CB-CB 4.36Å; I200-I203 HydrophobicContact CB-CD1 3.95Å; I200-I203 HydrophobicContact CB-CG1 4.1Å; I200-I203 HydrophobicContact CD1-CD1 3.83Å; I200-I203 HydrophobicContact CG2-CD1 4Å; I200-I203 HydrophobicContact CG2-CG1 3.96Å; I200-I203 PolarHBondContact O-N 3.07Å; I203-N240 HydrophobicContact CG2-CB 3.69Å; I203-N240 VanDerWaalsContact CG2-CG 3.42Å; I203-N240 WeakPolarHBondContact CG2-OD1 3.19Å; I203-R244 HydrophobicContact CD1-CB 4.28Å; I203-R244 HydrophobicContact CD1-CG 3.64Å; I203-R244 HydrophobicContact CG2-CG 4.44Å; I203-F247 HydrophobicContact CD1-CB 4.21Å
204P94.6Very high85.5Confident1 Ų151.3 Ų51.31%0.00629%0.287CS..  trans-68.9140.4-176.929.6-35.7000111.2E209 M210 M213 N240P204-E209 HydrophobicContact CB-CB 3.79Å; P204-M210 HydrophobicContact CB-CB 4.01Å; P204-M210 HydrophobicContact CB-SD 4.3Å; P204-M210 HydrophobicContact CG-CB 4.3Å; P204-M210 HydrophobicContact CG-SD 3.55Å; P204-M210 VanDerWaalsContact CG-SD 3.55Å; P204-M213 WeakPolarHBondContact CD-SD 3.48Å; P204-M213 HydrophobicContact CG-SD 3.69Å; P204-N240 PolarHBondContact O-ND2 3.35Å
205S94.5Very high87.1Confident40 Ų4053.4 Ų53.428%0.2829%0.291SS..  trans-120.4-7.1176.3-53.70000112.5E209 V233 N240 R244S205-E209 WeakPolarHBondContact CA-OE2 3.49Å; S205-E209 PolarHBondContact N-OE2 3.45Å; S205-V233 WeakPolarHBondContact O-CG1 3.43Å; S205-N240 PolarHBondContact OG-ND2 3.11Å; S205-R244 PolarHBondContact OG-NH2 3.37Å
206T95.2Very high88.9Confident49 Ų4950 Ų5030%0.30126%0.258SS..SBendtrans-131.7161.1172.681.80000111.8E208 E209 M210 V233T206-E208 VanDerWaalsContact CB-OE2 3.31Å; T206-E208 WeakPolarHBondContact CB-OE2 3.32Å; T206-E208 PolarHBondContact O-N 3Å; T206-E208 PolarHBondContact OG1-N 3.01Å; T206-E208 PolarHBondContact OG1-OE2 3.4Å; T206-E209 PolarHBondContact O-N 3.1Å; T206-E209 PolarHBondContact OG1-N 3.11Å; T206-M210 PolarHBondContact O-N 3.44Å; T206-V233 VanDerWaalsContact O-CG2 3.31Å; T206-V233 WeakPolarHBondContact O-CG2 3.3Å
207P95.4Very high90.6Very high9 Ų948.4 Ų48.46%0.05824%0.244CC..Hα-helixtrans-55.3-35.7173.7-2937.8000113.9M210 S211 Q226 L229 Q230P207-M210 PolarHBondContact O-N 3.48Å; P207-S211 WeakPolarHBondContact O-CB 3.44Å; P207-S211 PolarHBondContact O-N 2.88Å; P207-Q226 HydrophobicContact CB-CG 4.31Å; P207-L229 HydrophobicContact CB-CB 3.81Å; P207-Q230 HydrophobicContact CG-CB 4.18Å
208E95.3Very high92.1Very high102 Ų10246 Ų4648%0.47723%0.234SC..Hα-helixtrans-66.6-50.1177.8-60.668.2-144.600110.1T206 M210 S211 E212T206-E208 VanDerWaalsContact CB-OE2 3.31Å; T206-E208 WeakPolarHBondContact CB-OE2 3.32Å; T206-E208 PolarHBondContact O-N 3Å; T206-E208 PolarHBondContact OG1-N 3.01Å; T206-E208 PolarHBondContact OG1-OE2 3.4Å; E208-M210 PolarHBondContact O-N 3.46Å; E208-S211 WeakPolarHBondContact O-CB 3.25Å; E208-S211 PolarHBondContact O-N 2.85Å; E208-S211 VanDerWaalsContact O-N 3.09Å; E208-E212 WeakPolarHBondContact O-CG 3.34Å; E208-E212 PolarHBondContact O-N 2.92Å
209E94.8Very high93.3Very high45 Ų4543.6 Ų43.621%0.2122%0.219CC..Hα-helixtrans-60.5-35.2174.7-68.5179.3171.800111.6P204 S205 T206 E212 M213P204-E209 HydrophobicContact CB-CB 3.79Å; S205-E209 WeakPolarHBondContact CA-OE2 3.49Å; S205-E209 PolarHBondContact N-OE2 3.45Å; T206-E209 PolarHBondContact O-N 3.1Å; T206-E209 PolarHBondContact OG1-N 3.11Å; E209-E212 PolarHBondContact O-N 2.83Å; E209-M213 WeakPolarHBondContact O-CB 3.5Å; E209-M213 PolarHBondContact O-N 3.22Å
210M95.4Very high93.8Very high10 Ų1039 Ų395%0.04920%0.203CC..Hα-helixtrans-67.3-40.9174.9-175.164-159.500111.8P204 T206 P207 E208 M213 L214 L229 L232 V233P204-M210 HydrophobicContact CB-CB 4.01Å; P204-M210 HydrophobicContact CB-SD 4.3Å; P204-M210 HydrophobicContact CG-CB 4.3Å; P204-M210 HydrophobicContact CG-SD 3.55Å; P204-M210 VanDerWaalsContact CG-SD 3.55Å; T206-M210 PolarHBondContact O-N 3.44Å; P207-M210 PolarHBondContact O-N 3.48Å; E208-M210 PolarHBondContact O-N 3.46Å; M210-M213 PolarHBondContact O-N 2.93Å; M210-M213 HydrophobicContact SD-SD 4.35Å; M210-L214 HydrophobicContact CE-CD1 4.17Å; M210-L214 HydrophobicContact CE-CD2 3.82Å; M210-L214 HydrophobicContact CE-CG 3.86Å; M210-L214 VanDerWaalsContact O-CG 3.31Å; M210-L214 WeakPolarHBondContact O-CG 3.16Å; M210-L214 PolarHBondContact O-N 3.33Å; M210-L229 HydrophobicContact CB-CD2 4.31Å; M210-L229 HydrophobicContact CG-CD2 3.93Å; M210-L232 HydrophobicContact CE-CB 4.06Å; M210-L232 HydrophobicContact CE-CD1 3.91Å; M210-L232 HydrophobicContact CE-CG 4.49Å; M210-L232 HydrophobicContact CG-CB 4.21Å; M210-L232 HydrophobicContact SD-CB 4.32Å; M210-V233 HydrophobicContact CB-CG2 3.58Å; M210-V233 HydrophobicContact CG-CG2 4.13Å
211S95.4Very high93.7Very high37 Ų3745 Ų4526%0.25923%0.225SC..Hα-helixtrans-61.7-44.8173.3-174.20000111P207 E208 L214 Q215P207-S211 WeakPolarHBondContact O-CB 3.44Å; P207-S211 PolarHBondContact O-N 2.88Å; E208-S211 WeakPolarHBondContact O-CB 3.25Å; E208-S211 PolarHBondContact O-N 2.85Å; E208-S211 VanDerWaalsContact O-N 3.09Å; S211-L214 PolarHBondContact O-N 3.3Å; S211-Q215 VanDerWaalsContact O-CB 3.27Å; S211-Q215 WeakPolarHBondContact O-CB 3.46Å; S211-Q215 WeakPolarHBondContact O-CG 3.48Å; S211-Q215 PolarHBondContact O-N 3.39Å; S211-Q215 PolarHBondContact OG-NE2 3.23Å
212E94.1Very high93.2Very high110 Ų11051.5 Ų51.551%0.51425%0.251SS..Hα-helixtrans-60.9-43.3174.9-71.4177.9-166.800112.1E208 E209 Q215 L216E208-E212 WeakPolarHBondContact O-CG 3.34Å; E208-E212 PolarHBondContact O-N 2.92Å; E209-E212 PolarHBondContact O-N 2.83Å; E212-Q215 CarbonylContact O-C 3.53Å; E212-Q215 WeakPolarHBondContact O-CB 3.37Å; E212-Q215 PolarHBondContact O-N 3.43Å; E212-L216 WeakPolarHBondContact O-CB 3.47Å; E212-L216 PolarHBondContact O-N 3.41Å
213M94.8Very high92.8Very high24 Ų2461 Ų6112%0.11829%0.291CS..Hα-helixtrans-60.5-48.5174.9-178.5-171.5161.400111.3P201 L202 P204 E209 M210 Q215 L216 C217P201-M213 WeakPolarHBondContact O-CB 3.28Å; L202-M213 HydrophobicContact CD2-CG 4.42Å; P204-M213 WeakPolarHBondContact CD-SD 3.48Å; P204-M213 HydrophobicContact CG-SD 3.69Å; E209-M213 WeakPolarHBondContact O-CB 3.5Å; E209-M213 PolarHBondContact O-N 3.22Å; M210-M213 PolarHBondContact O-N 2.93Å; M210-M213 HydrophobicContact SD-SD 4.35Å; M213-Q215 PolarHBondContact O-N 2.84Å; M213-L216 PolarHBondContact O-N 2.85Å; M213-C217 WeakPolarHBondContact O-CB 3.44Å; M213-C217 PolarHBondContact O-N 2.84Å; M213-C217 PolarHBondContact O-SG 2.86Å
214L94.8Very high92.6Very high56 Ų5663.4 Ų63.429%0.29331%0.306SS..Hα-helixtrans-60.5-38177.6-70.9175000111.6M210 S211 C217 S218 V224 L229M210-L214 HydrophobicContact CE-CD1 4.17Å; M210-L214 HydrophobicContact CE-CD2 3.82Å; M210-L214 HydrophobicContact CE-CG 3.86Å; M210-L214 VanDerWaalsContact O-CG 3.31Å; M210-L214 WeakPolarHBondContact O-CG 3.16Å; M210-L214 PolarHBondContact O-N 3.33Å; S211-L214 PolarHBondContact O-N 3.3Å; L214-C217 PolarHBondContact O-N 3.4Å; L214-S218 WeakPolarHBondContact O-CB 3.34Å; L214-S218 PolarHBondContact O-N 3.04Å; L214-S218 PolarHBondContact O-OG 3.43Å; L214-V224 HydrophobicContact CD1-CG2 4.25Å; L214-L229 HydrophobicContact CD1-CD2 3.83Å
215Q94.2Very high92.4Very high94 Ų9466.3 Ų66.344%0.43932%0.324SS..Hα-helixtrans-67.3-39.8176-80.9-178.146.400112.8S211 E212 M213 R221S211-Q215 VanDerWaalsContact O-CB 3.27Å; S211-Q215 WeakPolarHBondContact O-CB 3.46Å; S211-Q215 WeakPolarHBondContact O-CG 3.48Å; S211-Q215 PolarHBondContact O-N 3.39Å; S211-Q215 PolarHBondContact OG-NE2 3.23Å; E212-Q215 CarbonylContact O-C 3.53Å; E212-Q215 WeakPolarHBondContact O-CB 3.37Å; E212-Q215 PolarHBondContact O-N 3.43Å; M213-Q215 PolarHBondContact O-N 2.84Å; Q215-R221 VanDerWaalsContact CG-NH1 3.31Å; Q215-R221 PolarHBondContact O-NH1 3Å; Q215-R221 PolarHBondContact O-NH2 3.26Å
216L94.2Very high92.3Very high32 Ų3269.8 Ų69.817%0.16834%0.337CS..Hα-helixtrans-66.7-42.7175.2178.666.5000110.7F184 P201 L202 E212 M213 Q279 V280F184-L216 HydrophobicContact CD2-CD1 4.49Å; 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 4.18Å; E212-L216 WeakPolarHBondContact O-CB 3.47Å; E212-L216 PolarHBondContact O-N 3.41Å; M213-L216 PolarHBondContact O-N 2.85Å; L216-Q279 HydrophobicContact CD1-CB 4.02Å; L216-V280 HydrophobicContact CD2-CG2 4.32Å; L216-V280 HydrophobicContact CG-CG2 3.95Å
217C95.1Very high92.2Very high7 Ų770.6 Ų70.65%0.04734%0.337CS..Hα-helixtrans-84.9-12.4-172.8-63.10000114.7M213 L214 H306 S307M213-C217 WeakPolarHBondContact O-CB 3.44Å; M213-C217 PolarHBondContact O-N 2.84Å; M213-C217 PolarHBondContact O-SG 2.86Å; L214-C217 PolarHBondContact O-N 3.4Å; C217-H306 HydrophobicContact CB-CB 4.41Å; C217-H306 WeakPolarHBondContact O-CA 3.26Å; C217-H306 WeakPolarHBondContact O-CB 3.4Å; C217-H306 PolarHBondContact O-N 2.86Å; C217-S307 WeakPolarHBondContact CB-OG 3.41Å; C217-S307 WeakPolarHBondContact O-CB 3.42Å; C217-S307 PolarHBondContact O-N 3.16Å; C217-S307 PolarHBondContact O-OG 3.16Å
218S95.3Very high92Very high17 Ų1773.2 Ų73.212%0.11935%0.35CS..  trans-127.3139.6-174.2-450000112.4L214 E311L214-S218 WeakPolarHBondContact O-CB 3.34Å; L214-S218 PolarHBondContact O-N 3.04Å; L214-S218 PolarHBondContact O-OG 3.43Å; S218-E311 VanDerWaalsContact CA-OE1 3.3Å; S218-E311 WeakPolarHBondContact CA-OE1 3.31Å
219Y94.2Very high92Very high96 Ų9669 Ų6938%0.37633%0.331SS..SBendtrans-71.5-47.5168.3172.6-92000110.7R221 Q277 N303 E311Y219-R221 PolarHBondContact O-N 2.89Å; Y219-Q277 HydrophobicContact CD2-CB 3.57Å; Y219-Q277 HydrophobicContact CD2-CG 3.59Å; Y219-Q277 HydrophobicContact CE2-CB 4.37Å; Y219-Q277 HydrophobicContact CE2-CG 3.88Å; Y219-Q277 HydrophobicContact CG-CB 4.34Å; Y219-N303 HydrophobicContact CD1-CB 3.76Å; Y219-N303 WeakPolarHBondContact CD1-O 3.29Å; Y219-N303 HydrophobicContact CE1-CB 3.43Å; Y219-N303 VanDerWaalsContact CE1-CB 3.43Å; Y219-N303 HydrophobicContact CG-CB 4.49Å; Y219-N303 PolarHBondContact OH-OD1 2.87Å; Y219-E311 VanDerWaalsContact N-CD 3.32Å; Y219-E311 PolarHBondContact N-OE1 3.12Å; Y219-E311 VanDerWaalsContact N-OE1 3.13Å; Y219-E311 PolarHBondContact N-OE2 3.49Å
220V87.9Confident92Very high42 Ų4270 Ų7026%0.25534%0.335SS..SBendtrans-73.5125.4-177.5-170.60000110F222 E311V220-F222 HydrophobicContact CB-CD2 4.43Å; V220-F222 HydrophobicContact CB-CE2 3.71Å; V220-F222 HydrophobicContact CB-CZ 3.96Å; V220-F222 HydrophobicContact CG1-CD1 4.32Å; V220-F222 HydrophobicContact CG1-CD2 4.05Å; V220-F222 HydrophobicContact CG1-CE1 3.68Å; V220-F222 HydrophobicContact CG1-CE2 3.38Å; V220-F222 HydrophobicContact CG1-CG 4.49Å; V220-F222 HydrophobicContact CG1-CZ 3.18Å; V220-E311 PolarHBondContact N-OE2 2.98Å
221R85.9Confident92Very high133 Ų13369.5 Ų69.550%0.50233%0.332SS..  trans-94.4117.7179.4-50-57.8-178.1160-2.5109.5Q215 Y219Q215-R221 VanDerWaalsContact CG-NH1 3.31Å; Q215-R221 PolarHBondContact O-NH1 3Å; Q215-R221 PolarHBondContact O-NH2 3.26Å; Y219-R221 PolarHBondContact O-N 2.89Å
222F78.1Confident91.9Very high161 Ų16169.3 Ų69.371%0.70633%0.328SS*.  trans-115.8138.2172.4-58.9-75.3000110V220 V224V220-F222 HydrophobicContact CB-CD2 4.43Å; V220-F222 HydrophobicContact CB-CE2 3.71Å; V220-F222 HydrophobicContact CB-CZ 3.96Å; V220-F222 HydrophobicContact CG1-CD1 4.32Å; V220-F222 HydrophobicContact CG1-CD2 4.05Å; V220-F222 HydrophobicContact CG1-CE1 3.68Å; V220-F222 HydrophobicContact CG1-CE2 3.38Å; V220-F222 HydrophobicContact CG1-CG 4.49Å; V220-F222 HydrophobicContact CG1-CZ 3.18Å; F222-V224 PolarHBondContact O-N 2.79Å; F222-V224 VanDerWaalsContact O-N 3.16Å
223K86Confident92Very high217 Ų21764 Ų6494%0.94330%0.304SS*.  trans-76.4100.3167.7-70-173.2179.3-177.50108.1
224V89Confident92Very high49 Ų4965.3 Ų65.330%0.29731%0.311SS..  trans-86.2127.2176.1-175.50000108.4L214 F222 Q226 I228 L229L214-V224 HydrophobicContact CD1-CG2 4.25Å; F222-V224 PolarHBondContact O-N 2.79Å; F222-V224 VanDerWaalsContact O-N 3.16Å; V224-Q226 PolarHBondContact O-N 3.5Å; V224-I228 HydrophobicContact CG1-CB 3.75Å; V224-I228 HydrophobicContact CG1-CG2 3.66Å; V224-L229 HydrophobicContact CB-CD1 4.43Å; V224-L229 HydrophobicContact CB-CD2 3.92Å; V224-L229 HydrophobicContact CB-CG 3.99Å; V224-L229 HydrophobicContact CG1-CD2 3.86Å; V224-L229 HydrophobicContact CG1-CG 3.82Å
225P91.5Very high91.9Very high62 Ų6263.5 Ų63.540%0.40330%0.302SS..  trans-52.9139.6173.5-26.533.4000111.9F27 Q227 I228 L229F27-P225 HydrophobicContact CZ-CB 4.49Å; P225-Q227 PolarHBondContact O-N 3.09Å; P225-Q227 VanDerWaalsContact O-N 3.16Å; P225-I228 HydrophobicContact CB-CD1 4.42Å; P225-I228 HydrophobicContact CB-CG1 4.29Å; P225-I228 HydrophobicContact CG-CD1 4.08Å; P225-I228 HydrophobicContact CG-CG1 4.49Å; P225-I228 WeakPolarHBondContact O-CB 3.14Å; P225-I228 PolarHBondContact O-N 3.34Å; P225-L229 PolarHBondContact O-N 2.92Å; P225-L229 VanDerWaalsContact O-N 3.12Å
226Q92.1Very high91.9Very high114 Ų11460.1 Ų60.153%0.53329%0.286SS..Hα-helixtrans-56.5-36.4-175.6-171.4178.58.700112.5P207 V224 I228 L229 Q230P207-Q226 HydrophobicContact CB-CG 4.31Å; V224-Q226 PolarHBondContact O-N 3.5Å; Q226-I228 VanDerWaalsContact C-N 3.33Å; Q226-I228 PolarHBondContact O-N 3.24Å; Q226-L229 WeakPolarHBondContact O-CB 3.34Å; Q226-L229 PolarHBondContact O-N 2.94Å; Q226-Q230 WeakPolarHBondContact O-CB 3.45Å; Q226-Q230 PolarHBondContact O-N 3.24Å
227Q91.7Very high91.9Very high66 Ų6662.4 Ų62.431%0.30830%0.297SS..Hα-helixtrans-66.4-33.7177.9-66.176.51000112.3F27 L28 P31 P225 Q230 G231F27-Q227 HydrophobicContact CD1-CB 4.09Å; F27-Q227 HydrophobicContact CD1-CG 4.08Å; F27-Q227 HydrophobicContact CE1-CB 3.51Å; F27-Q227 HydrophobicContact CE1-CG 3.61Å; F27-Q227 HydrophobicContact CE2-CB 4.08Å; F27-Q227 HydrophobicContact CZ-CB 3.51Å; F27-Q227 HydrophobicContact CZ-CG 4.13Å; L28-Q227 HydrophobicContact CD2-CG 4.38Å; P31-Q227 WeakPolarHBondContact CB-O 3.33Å; P225-Q227 PolarHBondContact O-N 3.09Å; P225-Q227 VanDerWaalsContact O-N 3.16Å; Q227-Q230 PolarHBondContact O-N 3.48Å; Q227-G231 PolarHBondContact O-N 3.3Å
228I92Very high91.8Very high64 Ų6466 Ų6633%0.32832%0.32SS..Hα-helixtrans-69.8-42.9173.9-62.5-176.2000109.6F27 I35 V224 P225 Q226 Q230 G231 L232F27-I228 HydrophobicContact CE2-CG1 3.95Å; F27-I228 HydrophobicContact CZ-CG1 4.41Å; I35-I228 HydrophobicContact CD1-CG2 4.43Å; V224-I228 HydrophobicContact CG1-CB 3.75Å; V224-I228 HydrophobicContact CG1-CG2 3.66Å; P225-I228 HydrophobicContact CB-CD1 4.42Å; P225-I228 HydrophobicContact CB-CG1 4.29Å; P225-I228 HydrophobicContact CG-CD1 4.08Å; P225-I228 HydrophobicContact CG-CG1 4.49Å; P225-I228 WeakPolarHBondContact O-CB 3.14Å; P225-I228 PolarHBondContact O-N 3.34Å; Q226-I228 VanDerWaalsContact C-N 3.33Å; Q226-I228 PolarHBondContact O-N 3.24Å; I228-Q230 VanDerWaalsContact C-N 3.31Å; I228-Q230 PolarHBondContact O-N 3.46Å; I228-G231 PolarHBondContact O-N 2.87Å; I228-L232 HydrophobicContact CG2-CD1 4.17Å; I228-L232 VanDerWaalsContact O-CG 3.31Å; I228-L232 WeakPolarHBondContact O-CG 3.45Å; I228-L232 PolarHBondContact O-N 3.13Å
229L94.9Very high91.6Very high14 Ų1466.3 Ų66.37%0.07332%0.32CS..Hα-helixtrans-58.5-44.7173.9-66.7171.7000111.1P207 M210 L214 V224 P225 Q226 L232 V233P207-L229 HydrophobicContact CB-CB 3.81Å; M210-L229 HydrophobicContact CB-CD2 4.31Å; M210-L229 HydrophobicContact CG-CD2 3.93Å; L214-L229 HydrophobicContact CD1-CD2 3.83Å; V224-L229 HydrophobicContact CB-CD1 4.43Å; V224-L229 HydrophobicContact CB-CD2 3.92Å; V224-L229 HydrophobicContact CB-CG 3.99Å; V224-L229 HydrophobicContact CG1-CD2 3.86Å; V224-L229 HydrophobicContact CG1-CG 3.82Å; P225-L229 PolarHBondContact O-N 2.92Å; P225-L229 VanDerWaalsContact O-N 3.12Å; Q226-L229 WeakPolarHBondContact O-CB 3.34Å; Q226-L229 PolarHBondContact O-N 2.94Å; L229-L232 PolarHBondContact O-N 3.08Å; L229-V233 VanDerWaalsContact O-CG2 3.29Å; L229-V233 WeakPolarHBondContact O-CG2 3.43Å; L229-V233 PolarHBondContact O-N 3.47Å
230Q95.2Very high91.6Very high64 Ų6461.9 Ų61.930%0.29930%0.303SS..Hα-helixtrans-60.2-46.8175.4-171.763.35600111.5P31 P207 Q226 Q227 I228 L232 V233 D234P31-Q230 HydrophobicContact CG-CB 4.32Å; P31-Q230 HydrophobicContact CG-CG 4.12Å; P207-Q230 HydrophobicContact CG-CB 4.18Å; Q226-Q230 WeakPolarHBondContact O-CB 3.45Å; Q226-Q230 PolarHBondContact O-N 3.24Å; Q227-Q230 PolarHBondContact O-N 3.48Å; I228-Q230 VanDerWaalsContact C-N 3.31Å; I228-Q230 PolarHBondContact O-N 3.46Å; Q230-L232 VanDerWaalsContact C-N 3.29Å; Q230-L232 PolarHBondContact O-N 2.93Å; Q230-V233 WeakPolarHBondContact O-CB 3.47Å; Q230-V233 PolarHBondContact O-N 2.95Å; Q230-V233 VanDerWaalsContact O-N 3.1Å; Q230-D234 PolarHBondContact NE2-OD1 3.27Å; Q230-D234 WeakPolarHBondContact O-CB 3.35Å; Q230-D234 PolarHBondContact O-N 3.48Å
231G94.9Very high91.7Very high0 Ų063.9 Ų63.90%032%0.319CS..Hα-helixtrans-60.6-37.4177.100000113.4Q227 I228 V235Q227-G231 PolarHBondContact O-N 3.3Å; I228-G231 PolarHBondContact O-N 2.87Å; G231-V235 WeakPolarHBondContact O-CG1 3.45Å; G231-V235 PolarHBondContact O-N 3.32Å
232L94.6Very high92Very high33 Ų3358.2 Ų58.217%0.17330%0.298CS..Hα-helixtrans-67.4-37.2174.5-69.4169.6000112I35 M210 I228 L229 Q230 V235 R236I35-L232 HydrophobicContact CD1-CD2 4.06Å; I35-L232 HydrophobicContact CD1-CG 4.23Å; I35-L232 HydrophobicContact CG1-CD2 4.44Å; I35-L232 HydrophobicContact CG2-CD2 4.29Å; M210-L232 HydrophobicContact CE-CB 4.06Å; M210-L232 HydrophobicContact CE-CD1 3.91Å; M210-L232 HydrophobicContact CE-CG 4.49Å; M210-L232 HydrophobicContact CG-CB 4.21Å; M210-L232 HydrophobicContact SD-CB 4.32Å; I228-L232 HydrophobicContact CG2-CD1 4.17Å; I228-L232 VanDerWaalsContact O-CG 3.31Å; I228-L232 WeakPolarHBondContact O-CG 3.45Å; I228-L232 PolarHBondContact O-N 3.13Å; L229-L232 PolarHBondContact O-N 3.08Å; Q230-L232 VanDerWaalsContact C-N 3.29Å; Q230-L232 PolarHBondContact O-N 2.93Å; L232-V235 VanDerWaalsContact O-CG2 3.25Å; L232-V235 WeakPolarHBondContact O-CG2 3.36Å; L232-R236 WeakPolarHBondContact O-CD 3.43Å; L232-R236 WeakPolarHBondContact O-CG 3.37Å
233V95.2Very high92.7Very high0 Ų050.6 Ų50.60%026%0.264CS..Hα-helixtrans-68-48.4174.9168.60000110.9S205 T206 M210 L229 Q230 V235 R236 I237S205-V233 WeakPolarHBondContact O-CG1 3.43Å; T206-V233 VanDerWaalsContact O-CG2 3.31Å; T206-V233 WeakPolarHBondContact O-CG2 3.3Å; M210-V233 HydrophobicContact CB-CG2 3.58Å; M210-V233 HydrophobicContact CG-CG2 4.13Å; L229-V233 VanDerWaalsContact O-CG2 3.29Å; L229-V233 WeakPolarHBondContact O-CG2 3.43Å; L229-V233 PolarHBondContact O-N 3.47Å; Q230-V233 WeakPolarHBondContact O-CB 3.47Å; Q230-V233 PolarHBondContact O-N 2.95Å; Q230-V233 VanDerWaalsContact O-N 3.1Å; V233-V235 VanDerWaalsContact C-N 3.29Å; V233-V235 PolarHBondContact O-N 3.42Å; V233-R236 CarbonylContact O-C 3.54Å; V233-R236 WeakPolarHBondContact O-CA 3.24Å; V233-R236 WeakPolarHBondContact O-CB 3.21Å; V233-R236 PolarHBondContact O-N 3.33Å; V233-I237 HydrophobicContact CG1-CD1 3.51Å; V233-I237 HydrophobicContact CG1-CG1 3.8Å; V233-I237 WeakPolarHBondContact O-CG1 3.3Å; V233-I237 PolarHBondContact O-N 3Å
234D94.9Very high93Very high51 Ų5142.8 Ų42.827%0.27323%0.229SC..Hα-helixtrans-58.6-38.2-177.1-71.6-11.4000112.8Q230 R236 P238Q230-D234 PolarHBondContact NE2-OD1 3.27Å; Q230-D234 WeakPolarHBondContact O-CB 3.35Å; Q230-D234 PolarHBondContact O-N 3.48Å; D234-R236 PolarHBondContact O-N 3.24Å; D234-P238 WeakPolarHBondContact O-CD 3.37Å
235V93.6Very high93.1Very high18 Ų1846.5 Ų46.511%0.10924%0.238CC..Hα-helixtrans-71.9-19.4176-61.80000112.8I35 R36 G231 L232 V233 H239I35-V235 HydrophobicContact CB-CG1 4.32Å; I35-V235 HydrophobicContact CG2-CG1 4.31Å; I35-V235 HydrophobicContact CG2-CG2 4.29Å; R36-V235 HydrophobicContact CG-CG1 4.4Å; G231-V235 WeakPolarHBondContact O-CG1 3.45Å; G231-V235 PolarHBondContact O-N 3.32Å; L232-V235 VanDerWaalsContact O-CG2 3.25Å; L232-V235 WeakPolarHBondContact O-CG2 3.36Å; V233-V235 VanDerWaalsContact C-N 3.29Å; V233-V235 PolarHBondContact O-N 3.42Å; V235-H239 PolarHBondContact O-CD2 2.88Å
236R93.4Very high93.2Very high23 Ų2343.6 Ų43.69%0.08722%0.218CC..Hα-helixtrans-97.5-35.6-176.8-65.7166.375.477.90.1113.1S81 L202 L232 V233 D234 P238 H239 N240S81-R236 PolarHBondContact O-NH1 3.35Å; S81-R236 PolarHBondContact O-NH2 2.96Å; S81-R236 PolarHBondContact OG-NH2 3Å; L202-R236 PolarHBondContact O-NH2 2.98Å; L232-R236 WeakPolarHBondContact O-CD 3.43Å; L232-R236 WeakPolarHBondContact O-CG 3.37Å; V233-R236 CarbonylContact O-C 3.54Å; V233-R236 WeakPolarHBondContact O-CA 3.24Å; V233-R236 WeakPolarHBondContact O-CB 3.21Å; V233-R236 PolarHBondContact O-N 3.33Å; D234-R236 PolarHBondContact O-N 3.24Å; R236-P238 VanDerWaalsContact C-N 3.32Å; R236-P238 VanDerWaalsContact O-N 3.15Å; R236-H239 WeakPolarHBondContact O-CA 3.31Å; R236-H239 WeakPolarHBondContact O-CB 3.42Å; R236-H239 PolarHBondContact O-N 3.24Å; R236-N240 PolarHBondContact O-N 3.44Å; R236-N240 PolarHBondContact O-OD1 2.69Å
237I93.3Very high93.2Very high79 Ų7938.8 Ų38.841%0.40520%0.196SC..G310 helixtrans-46-46.7-176.3-81.8175.3000113.4V233 H239 N240V233-I237 HydrophobicContact CG1-CD1 3.51Å; V233-I237 HydrophobicContact CG1-CG1 3.8Å; V233-I237 WeakPolarHBondContact O-CG1 3.3Å; V233-I237 PolarHBondContact O-N 3Å; I237-H239 PolarHBondContact O-N 2.73Å; I237-N240 PolarHBondContact O-N 3.12Å; I237-N240 VanDerWaalsContact O-N 3.11Å
238P93.2Very high93.1Very high82 Ų8238.6 Ų38.653%0.53220%0.196SC..G310 helixtrans-59.2-17.9179.7-25.936000114.3D234 R236D234-P238 WeakPolarHBondContact O-CD 3.37Å; R236-P238 VanDerWaalsContact C-N 3.32Å; R236-P238 VanDerWaalsContact O-N 3.15Å
239H92.4Very high93.1Very high24 Ų2438.1 Ų38.111%0.11119%0.193CC..G310 helixtrans-102.9-15.2-177-53.9-70000113.6E109 R113 V235 R236 I237 S241 F242 Y243E109-H239 IonicContact OE1-CD2 3.59Å; E109-H239 IonicContact OE1-CG 3.56Å; E109-H239 IonicContact OE1-NE2 3.27Å; E109-H239 IonicContact OE2-NE2 3.27Å; R113-H239 VanDerWaalsContact CZ-ND1 3.32Å; R113-H239 PolarHBondContact NH1-ND1 3.1Å; R113-H239 VanDerWaalsContact NH2-CB 3.29Å; R113-H239 PolarHBondContact NH2-ND1 2.89Å; V235-H239 PolarHBondContact O-CD2 2.88Å; R236-H239 WeakPolarHBondContact O-CA 3.31Å; R236-H239 WeakPolarHBondContact O-CB 3.42Å; R236-H239 PolarHBondContact O-N 3.24Å; I237-H239 PolarHBondContact O-N 2.73Å; H239-S241 VanDerWaalsContact C-N 3.32Å; H239-S241 PolarHBondContact O-N 2.83Å; H239-F242 PolarHBondContact O-N 2.97Å; H239-F242 VanDerWaalsContact O-N 3.13Å; H239-Y243 HydrophobicContact CB-CD2 3.84Å; H239-Y243 HydrophobicContact CB-CE1 4.18Å; H239-Y243 HydrophobicContact CB-CE2 3.38Å; H239-Y243 HydrophobicContact CB-CG 4.41Å; H239-Y243 PolarHBondContact O-N 3.23Å
240N92.8Very high92.9Very high4 Ų438.2 Ų38.22%0.02119%0.193CC..Hα-helixtrans-61.3-34.4-170-77.6-0.9000113.6I203 P204 S205 R236 I237 Y243 R244I203-N240 HydrophobicContact CG2-CB 3.69Å; I203-N240 VanDerWaalsContact CG2-CG 3.42Å; I203-N240 WeakPolarHBondContact CG2-OD1 3.19Å; P204-N240 PolarHBondContact O-ND2 3.35Å; S205-N240 PolarHBondContact OG-ND2 3.11Å; R236-N240 PolarHBondContact O-N 3.44Å; R236-N240 PolarHBondContact O-OD1 2.69Å; I237-N240 PolarHBondContact O-N 3.12Å; I237-N240 VanDerWaalsContact O-N 3.11Å; N240-Y243 PolarHBondContact O-N 3.28Å; N240-R244 WeakPolarHBondContact O-CG 3.09Å; N240-R244 PolarHBondContact O-N 2.98Å; N240-R244 PolarHBondContact O-NH1 3.11Å
241S91Very high92.6Very high84 Ų8436.2 Ų36.259%0.58719%0.186SC*.Hα-helixtrans-62.3-44.2176.958.90000112H239H239-S241 VanDerWaalsContact C-N 3.32Å; H239-S241 PolarHBondContact O-N 2.83Å
242F92.3Very high92.3Very high14 Ų1437.7 Ų37.76%0.06120%0.196CC..Hα-helixtrans-70.5-42.3176-170.6-83.3000111.3G107 R113 L119 H239 R244 R245 L246G107-F242 WeakPolarHBondContact O-CD1 3.49Å; G107-F242 WeakPolarHBondContact O-CE1 3.47Å; R113-F242 HydrophobicContact CB-CD2 4.14Å; R113-F242 HydrophobicContact CB-CE2 3.82Å; R113-F242 HydrophobicContact CB-CZ 4.31Å; R113-F242 HydrophobicContact CG-CD1 4.37Å; R113-F242 HydrophobicContact CG-CD2 3.98Å; R113-F242 HydrophobicContact CG-CE1 4.27Å; R113-F242 HydrophobicContact CG-CE2 3.83Å; R113-F242 HydrophobicContact CG-CG 4.24Å; R113-F242 HydrophobicContact CG-CZ 3.97Å; L119-F242 HydrophobicContact CD1-CZ 4.27Å; L119-F242 HydrophobicContact CD2-CE1 4.28Å; L119-F242 HydrophobicContact CD2-CZ 3.65Å; H239-F242 PolarHBondContact O-N 2.97Å; H239-F242 VanDerWaalsContact O-N 3.13Å; F242-R244 PolarHBondContact O-N 2.93Å; F242-R245 PolarHBondContact O-N 3.2Å; F242-R245 VanDerWaalsContact O-N 3.11Å; F242-L246 HydrophobicContact CD1-CB 4.39Å; F242-L246 HydrophobicContact CE1-CB 4.19Å; F242-L246 HydrophobicContact CE1-CD2 4.33Å; F242-L246 PolarHBondContact O-N 3.41Å
243Y93.6Very high92Very high0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-59.5-34.6177.5-68.5-18.5000112.3F80 H108 E109 H239 N240 L246 F247F80-Y243 WeakPolarHBondContact CE2-O 3.46Å; F80-Y243 VanDerWaalsContact CZ-O 3.3Å; F80-Y243 WeakPolarHBondContact CZ-O 3.31Å; H108-Y243 HydrophobicContact CB-CE1 4.33Å; H108-Y243 AromaticContact CD2-CE1 3.32Å; H108-Y243 WeakPolarHBondContact CD2-CE1 3.39Å; H108-Y243 AromaticContact CD2-CZ 3.61Å; H108-Y243 AromaticContact CG-CE1 3.81Å; H108-Y243 AromaticContact NE2-CE1 3.81Å; E109-Y243 PolarHBondContact OE1-OH 3.08Å; H239-Y243 HydrophobicContact CB-CD2 3.84Å; H239-Y243 HydrophobicContact CB-CE1 4.18Å; H239-Y243 HydrophobicContact CB-CE2 3.38Å; H239-Y243 HydrophobicContact CB-CG 4.41Å; H239-Y243 PolarHBondContact O-N 3.23Å; N240-Y243 PolarHBondContact O-N 3.28Å; Y243-L246 PolarHBondContact O-N 2.81Å; Y243-F247 WeakPolarHBondContact O-CB 3.32Å; Y243-F247 PolarHBondContact O-N 3.48Å
244R91.5Very high91.7Very high53 Ų5350.1 Ų50.120%0.225%0.251CS..Hα-helixtrans-62-47.7173-72.8-179.9-176.895.4-1.2112.1Q198 I200 I203 S205 N240 F242 F247 L248Q198-R244 PolarHBondContact O-NE 2.93Å; Q198-R244 PolarHBondContact O-NH2 3.13Å; I200-R244 HydrophobicContact CD1-CG 4.22Å; I203-R244 HydrophobicContact CD1-CB 4.28Å; I203-R244 HydrophobicContact CD1-CG 3.64Å; I203-R244 HydrophobicContact CG2-CG 4.44Å; S205-R244 PolarHBondContact OG-NH2 3.37Å; N240-R244 WeakPolarHBondContact O-CG 3.09Å; N240-R244 PolarHBondContact O-N 2.98Å; N240-R244 PolarHBondContact O-NH1 3.11Å; F242-R244 PolarHBondContact O-N 2.93Å; R244-F247 PolarHBondContact O-N 3.06Å; R244-L248 WeakPolarHBondContact O-CG 3.45Å; R244-L248 PolarHBondContact O-N 3.42Å
245R91.3Very high91.6Very high128 Ų12847.7 Ų47.748%0.48324%0.238SC..Hα-helixtrans-60-47.7176.9-69.4174.258.5-157.4-4.7111.6L119 F242 F247 L248 E249L119-R245 HydrophobicContact CD1-CB 4.42Å; F242-R245 PolarHBondContact O-N 3.2Å; F242-R245 VanDerWaalsContact O-N 3.11Å; R245-F247 VanDerWaalsContact C-N 3.34Å; R245-F247 PolarHBondContact O-N 3.08Å; R245-L248 PolarHBondContact O-N 3.3Å; R245-E249 PolarHBondContact O-N 3.32Å; R245-E249 VanDerWaalsContact O-N 3.15Å
246L92.7Very high91.6Very high0 Ų050.1 Ų50.10%025%0.245CC..Hα-helixtrans-63-41.3178.3177.558.9000111.7F80 H108 L119 F242 Y243 E249 I250F80-L246 HydrophobicContact CE2-CB 4.48Å; F80-L246 HydrophobicContact CE2-CD2 4.46Å; F80-L246 HydrophobicContact CE2-CG 4.32Å; H108-L246 WeakPolarHBondContact CE1-CD2 3.43Å; L119-L246 HydrophobicContact CB-CD1 3.92Å; L119-L246 HydrophobicContact CD2-CD1 4.41Å; F242-L246 HydrophobicContact CD1-CB 4.39Å; F242-L246 HydrophobicContact CE1-CB 4.19Å; F242-L246 HydrophobicContact CE1-CD2 4.33Å; F242-L246 PolarHBondContact O-N 3.41Å; Y243-L246 PolarHBondContact O-N 2.81Å; L246-E249 PolarHBondContact O-N 3.49Å; L246-I250 HydrophobicContact CD1-CD1 3.78Å; L246-I250 HydrophobicContact CD1-CG1 4.09Å; L246-I250 HydrophobicContact CD2-CD1 4.39Å; L246-I250 HydrophobicContact CG-CD1 3.66Å; L246-I250 HydrophobicContact CG-CG1 4.43Å; L246-I250 WeakPolarHBondContact O-CD1 3.41Å; L246-I250 VanDerWaalsContact O-CG1 3.28Å; L246-I250 WeakPolarHBondContact O-CG1 3.27Å; L246-I250 PolarHBondContact O-N 2.83Å
247F92.6Very high91.7Very high14 Ų1450.9 Ų50.96%0.06125%0.249CC..Hα-helixtrans-58.2-51.8177.1-174.1-96.7000111.2F80 L188 I200 L202 I203 Y243 R244 R245 E249 I250 V251F80-F247 HydrophobicContact CD1-CD2 4.08Å; F80-F247 HydrophobicContact CD2-CD2 4.46Å; F80-F247 HydrophobicContact CE1-CB 4.37Å; F80-F247 AromaticContact CE1-CD2 3.71Å; F80-F247 HydrophobicContact CE1-CD2 3.71Å; F80-F247 HydrophobicContact CE1-CG 4.44Å; F80-F247 HydrophobicContact CE2-CB 3.79Å; F80-F247 HydrophobicContact CE2-CD2 4.12Å; F80-F247 HydrophobicContact CE2-CG 4.48Å; F80-F247 HydrophobicContact CG-CD2 4.45Å; 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-CE1 4.43Å; L188-F247 HydrophobicContact CD1-CZ 3.71Å; L188-F247 HydrophobicContact CD2-CE1 3.82Å; L188-F247 HydrophobicContact CD2-CZ 3.53Å; L188-F247 HydrophobicContact CG-CZ 4.26Å; I200-F247 HydrophobicContact CD1-CB 4.34Å; I200-F247 HydrophobicContact CD1-CD1 3.58Å; I200-F247 HydrophobicContact CD1-CE1 4.18Å; I200-F247 HydrophobicContact CD1-CG 4.13Å; I200-F247 HydrophobicContact CG1-CD1 4.19Å; I200-F247 HydrophobicContact CG1-CE1 4.31Å; I200-F247 HydrophobicContact CG2-CD1 3.93Å; I200-F247 HydrophobicContact CG2-CD2 4.16Å; I200-F247 HydrophobicContact CG2-CE1 3.78Å; I200-F247 HydrophobicContact CG2-CE2 4.03Å; I200-F247 HydrophobicContact CG2-CG 4.11Å; I200-F247 HydrophobicContact CG2-CZ 3.83Å; L202-F247 HydrophobicContact CD1-CE2 4.2Å; I203-F247 HydrophobicContact CD1-CB 4.21Å; Y243-F247 WeakPolarHBondContact O-CB 3.32Å; Y243-F247 PolarHBondContact O-N 3.48Å; R244-F247 PolarHBondContact O-N 3.06Å; R245-F247 VanDerWaalsContact C-N 3.34Å; R245-F247 PolarHBondContact O-N 3.08Å; F247-E249 PolarHBondContact O-N 2.97Å; F247-I250 PolarHBondContact O-N 3.49Å; F247-I250 VanDerWaalsContact O-N 3.08Å; F247-V251 HydrophobicContact CD1-CG1 4.49Å; F247-V251 HydrophobicContact CD1-CG2 4.15Å; F247-V251 HydrophobicContact CE1-CG1 4.01Å; F247-V251 HydrophobicContact CE1-CG2 4.01Å; F247-V251 HydrophobicContact CE2-CG1 4.25Å; F247-V251 HydrophobicContact CZ-CG1 3.88Å; F247-V251 VanDerWaalsContact O-CG2 3.31Å; F247-V251 WeakPolarHBondContact O-CG2 3.38Å; F247-V251 PolarHBondContact O-N 3.41Å
248L89.7Confident91.9Very high61 Ų6147.2 Ų47.232%0.31923%0.23SC..Hα-helixtrans-56.9-39.8179.2-69.2174.5000112I197 R244 R245 S252I197-L248 HydrophobicContact CD1-CD1 4.44Å; I197-L248 HydrophobicContact CG2-CD1 3.96Å; I197-L248 HydrophobicContact CG2-CD2 4.47Å; R244-L248 WeakPolarHBondContact O-CG 3.45Å; R244-L248 PolarHBondContact O-N 3.42Å; R245-L248 PolarHBondContact O-N 3.3Å; L248-S252 PolarHBondContact O-N 3.01Å
249E91.5Very high92.1Very high55 Ų5543.3 Ų43.326%0.25721%0.205SC..Hα-helixtrans-68.6-38.7176.8-174.860.7-151.300112.5L119 S120 R245 L246 F247 V251 S252 S255L119-E249 HydrophobicContact CB-CB 3.96Å; L119-E249 HydrophobicContact CB-CG 3.77Å; S120-E249 WeakPolarHBondContact CB-OE1 3.47Å; S120-E249 VanDerWaalsContact N-CG 3.35Å; R245-E249 PolarHBondContact O-N 3.32Å; R245-E249 VanDerWaalsContact O-N 3.15Å; L246-E249 PolarHBondContact O-N 3.49Å; F247-E249 PolarHBondContact O-N 2.97Å; E249-V251 VanDerWaalsContact C-N 3.32Å; E249-V251 PolarHBondContact O-N 3.15Å; E249-S252 WeakPolarHBondContact O-CB 3.02Å; E249-S252 PolarHBondContact O-N 3.29Å; E249-S252 PolarHBondContact O-OG 3.38Å; E249-S255 WeakPolarHBondContact O-CB 3.45Å; E249-S255 PolarHBondContact O-OG 2.92Å
250I90.7Very high92.4Very high15 Ų1544.8 Ų44.88%0.07721%0.211CC..Hα-helixtrans-67.4-34.8178.5-69.7160.2000111.6F80 I121 M149 L246 F247 S255 R256F80-I250 HydrophobicContact CD2-CD1 3.95Å; I121-I250 HydrophobicContact CD1-CG1 4.34Å; I121-I250 HydrophobicContact CD1-CG2 4.35Å; M149-I250 HydrophobicContact CG-CD1 3.8Å; M149-I250 HydrophobicContact SD-CD1 3.34Å; M149-I250 WeakPolarHBondContact SD-CD1 3.13Å; L246-I250 HydrophobicContact CD1-CD1 3.78Å; L246-I250 HydrophobicContact CD1-CG1 4.09Å; L246-I250 HydrophobicContact CD2-CD1 4.39Å; L246-I250 HydrophobicContact CG-CD1 3.66Å; L246-I250 HydrophobicContact CG-CG1 4.43Å; L246-I250 WeakPolarHBondContact O-CD1 3.41Å; L246-I250 VanDerWaalsContact O-CG1 3.28Å; L246-I250 WeakPolarHBondContact O-CG1 3.27Å; L246-I250 PolarHBondContact O-N 2.83Å; F247-I250 PolarHBondContact O-N 3.49Å; F247-I250 VanDerWaalsContact O-N 3.08Å; I250-S255 VanDerWaalsContact O-CB 3.29Å; I250-S255 WeakPolarHBondContact O-CB 3.21Å; I250-R256 WeakPolarHBondContact O-CA 3.46Å; I250-R256 PolarHBondContact O-N 2.79Å
251V89.1Confident92.6Very high23 Ų2350 Ų5014%0.13924%0.236CC..THydrogen-bonded Turntrans-922.9178.9-58.30000113.6F247 E249F247-V251 HydrophobicContact CD1-CG1 4.49Å; F247-V251 HydrophobicContact CD1-CG2 4.15Å; F247-V251 HydrophobicContact CE1-CG1 4.01Å; F247-V251 HydrophobicContact CE1-CG2 4.01Å; F247-V251 HydrophobicContact CE2-CG1 4.25Å; F247-V251 HydrophobicContact CZ-CG1 3.88Å; F247-V251 VanDerWaalsContact O-CG2 3.31Å; F247-V251 WeakPolarHBondContact O-CG2 3.38Å; F247-V251 PolarHBondContact O-N 3.41Å; E249-V251 VanDerWaalsContact C-N 3.32Å; E249-V251 PolarHBondContact O-N 3.15Å
252S89.9Confident92.9Very high30 Ų3046.3 Ų46.321%0.2121%0.209CC..SBendtrans-67.7161.6174.780.10000111.5L248 E249 K254 S255 R256L248-S252 PolarHBondContact O-N 3.01Å; E249-S252 WeakPolarHBondContact O-CB 3.02Å; E249-S252 PolarHBondContact O-N 3.29Å; E249-S252 PolarHBondContact O-OG 3.38Å; S252-K254 PolarHBondContact O-N 2.84Å; S252-K254 PolarHBondContact OG-N 3.35Å; S252-S255 PolarHBondContact O-N 3.45Å; S252-S255 VanDerWaalsContact O-N 3.1Å; S252-R256 WeakPolarHBondContact O-CB 3.25Å; S252-R256 PolarHBondContact O-N 3.46Å
253E86.9Confident93.2Very high187 Ų18746.5 Ų46.587%0.87421%0.211SC*.THydrogen-bonded Turntrans-56.6-34.7176.7-64.9-173.5158.600112.9S255E253-S255 VanDerWaalsContact C-N 3.32Å; E253-S255 PolarHBondContact O-N 3.21Å
254K89.3Confident93.3Very high108 Ų10850.5 Ų50.547%0.4723%0.232SC..THydrogen-bonded Turntrans-62.3-39178.2-177-174.8172-165.30111.9D118 S120 S252D118-K254 IonicContact OD1-NZ 2.76Å; D118-K254 PolarHBondContact OD1-NZ 3.33Å; D118-K254 IonicContact OD2-NZ 2.59Å; S120-K254 PolarHBondContact OG-NZ 3.06Å; S252-K254 PolarHBondContact O-N 2.84Å; S252-K254 PolarHBondContact OG-N 3.35Å
255S93.7Very high93.6Very high0 Ų052.7 Ų52.70%024%0.243CC..THydrogen-bonded Turntrans-105.7-34.3-169.8-680000114S120 I121 H152 E249 I250 S252 E253 Y257 S258S120-S255 WeakPolarHBondContact CA-OG 3.26Å; S120-S255 WeakPolarHBondContact CB-OG 3.27Å; I121-S255 PolarHBondContact N-OG 3.23Å; H152-S255 PolarHBondContact CE1-O 2.99Å; H152-S255 PolarHBondContact NE2-O 3.25Å; E249-S255 WeakPolarHBondContact O-CB 3.45Å; E249-S255 PolarHBondContact O-OG 2.92Å; I250-S255 VanDerWaalsContact O-CB 3.29Å; I250-S255 WeakPolarHBondContact O-CB 3.21Å; S252-S255 PolarHBondContact O-N 3.45Å; S252-S255 VanDerWaalsContact O-N 3.1Å; E253-S255 VanDerWaalsContact C-N 3.32Å; E253-S255 PolarHBondContact O-N 3.21Å; S255-Y257 PolarHBondContact O-N 3.34Å; S255-S258 PolarHBondContact O-N 3.03Å
256R92.1Very high94Very high68 Ų6846.7 Ų46.726%0.25722%0.221SC..THydrogen-bonded Turntrans-55.7-28.7-160.8-174166.781.8120.8-12.8114.5G175 I250 S252G175-R256 CarbonylContact C-O 3.59Å; G175-R256 VanDerWaalsContact CA-O 3.24Å; G175-R256 WeakPolarHBondContact CA-O 3.36Å; I250-R256 WeakPolarHBondContact O-CA 3.46Å; I250-R256 PolarHBondContact O-N 2.79Å; S252-R256 WeakPolarHBondContact O-CB 3.25Å; S252-R256 PolarHBondContact O-N 3.46Å
257Y95.9Very high94.1Very high40 Ų4054 Ų5416%0.15725%0.253CS..THydrogen-bonded Turntrans-121.617.1-175.9-57.2-46.1000114.3G175 L176 Q177 S255 L259 H260 Q261G175-Y257 CarbonylContact O-C 3.56Å; G175-Y257 WeakPolarHBondContact O-CA 3.29Å; L176-Y257 WeakPolarHBondContact O-CE1 3.43Å; Q177-Y257 HydrophobicContact CB-CD1 3.77Å; Q177-Y257 HydrophobicContact CB-CE1 3.74Å; Q177-Y257 HydrophobicContact CB-CG 4.17Å; Q177-Y257 HydrophobicContact CG-CD1 4.47Å; Q177-Y257 HydrophobicContact CG-CE1 4.04Å; Q177-Y257 HydrophobicContact CG-CE2 4.29Å; S255-Y257 PolarHBondContact O-N 3.34Å; Y257-L259 VanDerWaalsContact C-N 3.3Å; Y257-L259 PolarHBondContact O-N 3.19Å; Y257-H260 WeakPolarHBondContact O-CB 3.45Å; Y257-H260 PolarHBondContact O-N 3.23Å; Y257-Q261 WeakPolarHBondContact O-CG 3.19Å; Y257-Q261 PolarHBondContact O-N 2.82Å
258S97.4Very high94.3Very high2 Ų254 Ų541%0.01425%0.254CS..Hα-helixtrans-60.4-37.4-174.7-178.10000112.6S255 Q261 N262S255-S258 PolarHBondContact O-N 3.03Å; S258-Q261 PolarHBondContact O-N 2.77Å; S258-N262 PolarHBondContact O-N 3.39Å; S258-N262 PolarHBondContact O-ND2 2.79Å
259L98.3Very high94.7Very high0 Ų052.6 Ų52.60%025%0.248CC..Hα-helixtrans-62.2-46.9171.8179.256.9000112.1H152 V156 P173 A174 L176 Y257 Q261 N262 M263 I266 L289H152-L259 PolarHBondContact NE2-N 3.47Å; H152-L259 VanDerWaalsContact NE2-N 3.11Å; V156-L259 HydrophobicContact CG2-CB 4.38Å; P173-L259 HydrophobicContact CB-CD2 3.83Å; P173-L259 HydrophobicContact CG-CD2 4.2Å; A174-L259 WeakPolarHBondContact O-CD2 3.25Å; L176-L259 HydrophobicContact CD2-CB 4.5Å; L176-L259 HydrophobicContact CD2-CD2 4Å; L176-L259 HydrophobicContact CD2-CG 3.99Å; L176-L259 HydrophobicContact CG-CD2 4.47Å; Y257-L259 VanDerWaalsContact C-N 3.3Å; Y257-L259 PolarHBondContact O-N 3.19Å; L259-Q261 PolarHBondContact O-N 2.79Å; L259-N262 CarbonylContact O-C 3.02Å; L259-N262 PolarHBondContact O-N 3.36Å; L259-M263 WeakPolarHBondContact O-CB 2.97Å; L259-M263 PolarHBondContact O-N 3.3Å; L259-I266 HydrophobicContact CD1-CD1 4.13Å; L259-L289 HydrophobicContact CD2-CD2 4.25Å; L259-L289 HydrophobicContact CG-CD2 4.41Å
260H97.9Very high95.1Very high54 Ų5450 Ų5025%0.2524%0.236CC..Hα-helixtrans-58.7-36.1178.6-161.289.6000112.5G175 L176 Q177 Y257 N262 M263G175-H260 PolarHBondContact O-N 2.81Å; L176-H260 HydrophobicContact CD2-CB 4.46Å; Q177-H260 PolarHBondContact N-ND1 2.79Å; Y257-H260 WeakPolarHBondContact O-CB 3.45Å; Y257-H260 PolarHBondContact O-N 3.23Å; H260-N262 VanDerWaalsContact C-N 3.26Å; H260-N262 PolarHBondContact O-N 3.49Å; H260-M263 WeakPolarHBondContact O-CG 3.48Å
261Q97.7Very high95.4Very high114 Ų11449.4 Ų49.453%0.53323%0.233SC..Hα-helixtrans-75.3-13.1179.5-68.1168.3-8.200113.8Y257 S258 L259Y257-Q261 WeakPolarHBondContact O-CG 3.19Å; Y257-Q261 PolarHBondContact O-N 2.82Å; S258-Q261 PolarHBondContact O-N 2.77Å; L259-Q261 PolarHBondContact O-N 2.79Å
262N98Very high95.9Very high7 Ų748.3 Ų48.34%0.03723%0.226CC..Hα-helixtrans-125.8-5.3-174.2-69.1-72.9000114.1A159 S258 L259 H260 D264 K265A159-N262 HydrophobicContact CB-CB 3.81Å; S258-N262 PolarHBondContact O-N 3.39Å; S258-N262 PolarHBondContact O-ND2 2.79Å; L259-N262 CarbonylContact O-C 3.02Å; L259-N262 PolarHBondContact O-N 3.36Å; H260-N262 VanDerWaalsContact C-N 3.26Å; H260-N262 PolarHBondContact O-N 3.49Å; N262-D264 PolarHBondContact O-N 2.89Å; N262-K265 WeakPolarHBondContact O-CB 3.25Å; N262-K265 PolarHBondContact O-N 2.72Å; N262-K265 PolarHBondContact OD1-NZ 2.91Å
263M97.2Very high96.3Very high18 Ų1846.9 Ų46.99%0.08922%0.216CC..G310 helixtrans-62-28.3-175.252.8174.6-171.700113.8L176 L259 H260 K265 I266 I288 L289 S292L176-M263 HydrophobicContact CD2-SD 4.41Å; L259-M263 WeakPolarHBondContact O-CB 2.97Å; L259-M263 PolarHBondContact O-N 3.3Å; H260-M263 WeakPolarHBondContact O-CG 3.48Å; M263-K265 PolarHBondContact O-N 2.86Å; M263-I266 HydrophobicContact CB-CD1 4.41Å; M263-I266 WeakPolarHBondContact O-CB 3.44Å; M263-I266 PolarHBondContact O-N 2.62Å; M263-I288 HydrophobicContact CE-CG2 4.03Å; M263-I288 HydrophobicContact SD-CG2 4.08Å; M263-L289 HydrophobicContact CB-CD2 4.18Å; M263-L289 HydrophobicContact SD-CD2 4.16Å; M263-S292 VanDerWaalsContact CG-OG 3.3Å; M263-S292 WeakPolarHBondContact CG-OG 3.25Å; M263-S292 VanDerWaalsContact SD-CB 3.59Å
264D96.9Very high96.9Very high84 Ų8438 Ų3845%0.44918%0.175SC..G310 helixtrans-68.3-23.1176.167.7-44.6000113.1N262 K267 S292N262-D264 PolarHBondContact O-N 2.89Å; D264-K267 PolarHBondContact O-NZ 3.29Å; D264-S292 WeakPolarHBondContact CA-OG 3.45Å; D264-S292 PolarHBondContact N-OG 3.24Å
265K97.9Very high97.3Very high98 Ų9832.9 Ų32.943%0.42615%0.152SC..G310 helixtrans-82.9-12.7176.8-59.2170.1-167.5165.50112.6A159 N262 M263 K267A159-K265 HydrophobicContact CB-CB 3.88Å; N262-K265 WeakPolarHBondContact O-CB 3.25Å; N262-K265 PolarHBondContact O-N 2.72Å; N262-K265 PolarHBondContact OD1-NZ 2.91Å; M263-K265 PolarHBondContact O-N 2.86Å; K265-K267 WeakPolarHBondContact O-CG 3.23Å; K265-K267 PolarHBondContact O-N 3.44Å
266I98.4Very high97.5Very high3 Ų336.9 Ų36.92%0.01517%0.17CC..  trans-72.3111178.5-58.1174.1000109G155 A158 A159 L168 L259 M263 V268 I293G155-I266 WeakPolarHBondContact O-CD1 3.34Å; A158-I266 HydrophobicContact CB-CG1 4.28Å; A158-I266 HydrophobicContact CB-CG2 4.23Å; A159-I266 HydrophobicContact CB-CG1 4.27Å; L168-I266 HydrophobicContact CD2-CD1 4.13Å; L168-I266 HydrophobicContact CD2-CG2 3.99Å; L259-I266 HydrophobicContact CD1-CD1 4.13Å; M263-I266 HydrophobicContact CB-CD1 4.41Å; M263-I266 WeakPolarHBondContact O-CB 3.44Å; M263-I266 PolarHBondContact O-N 2.62Å; I266-V268 HydrophobicContact CG2-CG2 4.21Å; I266-I293 HydrophobicContact CB-CD1 4.4Å; I266-I293 HydrophobicContact CB-CG1 4.33Å; I266-I293 HydrophobicContact CD1-CD1 3.92Å; I266-I293 HydrophobicContact CG2-CD1 4.38Å; I266-I293 HydrophobicContact CG2-CG2 4.29Å
267K95.2Very high97.8Very high154 Ų15436.3 Ų36.367%0.6717%0.17SC*.  trans-106.7-14.1-178.3-56.1-48.9-177.5-167.40114.5D264 K265D264-K267 PolarHBondContact O-NZ 3.29Å; K265-K267 WeakPolarHBondContact O-CG 3.23Å; K265-K267 PolarHBondContact O-N 3.44Å
268V96.9Very high97.8Very high14 Ų1435 Ų359%0.08517%0.165CC..SBendtrans-75.5152.1-178.4-61.50000111.2I165 L168 I266 T270I165-V268 HydrophobicContact CD1-CG2 3.8Å; I165-V268 HydrophobicContact CG1-CG1 4.08Å; I165-V268 HydrophobicContact CG1-CG2 4.17Å; L168-V268 HydrophobicContact CB-CG2 3.95Å; I266-V268 HydrophobicContact CG2-CG2 4.21Å; V268-T270 PolarHBondContact O-N 2.59Å; V268-T270 PolarHBondContact O-OG1 2.95Å
269P98.3Very high97.7Very high31 Ų3138.9 Ų38.920%0.20118%0.184CC..  trans-50128.6170-23.931.9000110.7S167 L168 F323 V327S167-P269 WeakPolarHBondContact CA-O 3.36Å; L168-P269 PolarHBondContact N-O 3.35Å; P269-F323 HydrophobicContact CB-CE2 4.46Å; P269-F323 HydrophobicContact CB-CZ 4.17Å; P269-V327 HydrophobicContact CB-CG2 3.79Å; P269-V327 HydrophobicContact CG-CG1 4.33Å; P269-V327 HydrophobicContact CG-CG2 4.3Å
270T98.8Very high97.6Very high0 Ų039 Ų390%019%0.185CC..EExtended strand (participates in β ladder)trans-125.4134.3-173.6-60.20000111.6L168 L170 V268 I272 I293 N295 C296 Q297L168-T270 HydrophobicContact CB-CG2 4.25Å; L168-T270 HydrophobicContact CD2-CG2 4.04Å; L168-T270 HydrophobicContact CG-CG2 4.22Å; L168-T270 CarbonylContact O-C 3.5Å; L168-T270 VanDerWaalsContact O-CA 3.24Å; L168-T270 WeakPolarHBondContact O-CA 3.26Å; L170-T270 HydrophobicContact CD1-CG2 4.28Å; L170-T270 HydrophobicContact CG-CG2 4.41Å; V268-T270 PolarHBondContact O-N 2.59Å; V268-T270 PolarHBondContact O-OG1 2.95Å; T270-I272 HydrophobicContact CG2-CG1 4.22Å; T270-I293 HydrophobicContact CG2-CD1 4.15Å; T270-N295 PolarHBondContact N-O 3.33Å; T270-C296 CarbonylContact O-C 3.58Å; T270-C296 WeakPolarHBondContact O-CA 3.31Å; T270-Q297 PolarHBondContact O-N 2.87Å
271Q98.8Very high97.4Very high3 Ų337.4 Ų37.41%0.01418%0.178CC..EExtended strand (participates in β ladder)trans-107.1133.7166.8-176.9178.358.800109.3L168 C169 L170 I273 Q297 L319 F323L168-Q271 PolarHBondContact O-N 2.82Å; C169-Q271 CarbonylContact C-O 3.58Å; C169-Q271 WeakPolarHBondContact CA-O 3.48Å; C169-Q271 HydrophobicContact CB-CB 4.42Å; C169-Q271 PolarHBondContact SG-OE1 2.83Å; L170-Q271 PolarHBondContact N-O 3.47Å; Q271-I273 HydrophobicContact CG-CD1 4.41Å; Q271-I273 HydrophobicContact CG-CG1 3.96Å; Q271-Q297 CarbonylContact C-O 3.39Å; Q271-Q297 WeakPolarHBondContact CA-O 3.31Å; Q271-L319 PolarHBondContact NE2-O 3.2Å; Q271-F323 HydrophobicContact CB-CB 4.47Å; Q271-F323 HydrophobicContact CB-CD1 3.7Å; Q271-F323 HydrophobicContact CB-CD2 3.87Å; Q271-F323 HydrophobicContact CB-CE1 3.77Å; Q271-F323 HydrophobicContact CB-CE2 3.95Å; Q271-F323 HydrophobicContact CB-CG 3.75Å; Q271-F323 HydrophobicContact CB-CZ 3.9Å; Q271-F323 HydrophobicContact CG-CG 4.35Å
272I98.9Very high97.3Very high0 Ų034.9 Ų34.90%017%0.168CC..EExtended strand (participates in β ladder)trans-114.4121.8176-58.6164.4000107L170 T270 W274 A286 L289 C296 Q297 V298 E299L170-I272 WeakPolarHBondContact O-CA 3.3Å; T270-I272 HydrophobicContact CG2-CG1 4.22Å; I272-W274 HydrophobicContact CG2-CE3 4.08Å; I272-A286 HydrophobicContact CG2-CB 4.07Å; I272-L289 HydrophobicContact CD1-CB 3.51Å; I272-L289 HydrophobicContact CD1-CD1 4.32Å; I272-L289 HydrophobicContact CG1-CB 4.45Å; I272-L289 HydrophobicContact CG1-CD1 4.44Å; I272-L289 HydrophobicContact CG2-CD1 4.4Å; I272-C296 HydrophobicContact CD1-CB 4.1Å; I272-Q297 PolarHBondContact N-O 2.9Å; I272-V298 HydrophobicContact CB-CG2 4.34Å; I272-V298 HydrophobicContact CD1-CG2 4.12Å; I272-V298 CarbonylContact O-C 3.59Å; I272-V298 WeakPolarHBondContact O-CA 3.24Å; I272-E299 PolarHBondContact O-N 3.38Å
273I98.8Very high97.3Very high0 Ų036.4 Ų36.40%018%0.177CC..EExtended strand (participates in β ladder)trans-119.9127176.4-50.3178.2000108.2L170 V171 C172 Q271 E299 L301 V308 T316 L319L170-I273 PolarHBondContact O-N 3.45Å; V171-I273 CarbonylContact C-O 3.58Å; V171-I273 WeakPolarHBondContact CA-O 3.12Å; V171-I273 HydrophobicContact CG1-CB 4.46Å; V171-I273 HydrophobicContact CG2-CB 4.35Å; V171-I273 HydrophobicContact CG2-CD1 4.37Å; C172-I273 PolarHBondContact N-O 2.95Å; Q271-I273 HydrophobicContact CG-CD1 4.41Å; Q271-I273 HydrophobicContact CG-CG1 3.96Å; I273-E299 WeakPolarHBondContact CA-O 3.5Å; I273-E299 HydrophobicContact CG1-CB 4.39Å; I273-L301 HydrophobicContact CG2-CD1 3.9Å; I273-L301 HydrophobicContact CG2-CG 4.13Å; I273-V308 HydrophobicContact CG2-CG1 3.92Å; I273-T316 HydrophobicContact CD1-CG2 4.46Å; I273-L319 HydrophobicContact CD1-CB 3.99Å; I273-L319 HydrophobicContact CD1-CD1 4.04Å; I273-L319 HydrophobicContact CG1-CD1 4.39Å; I273-L319 HydrophobicContact CG2-CD1 4.21Å
274W98.8Very high97.2Very high0 Ų037.4 Ų37.40%019%0.186CC..EExtended strand (participates in β ladder)trans-137.4141-178.7-139.2-69.3000112.4C172 P173 L176 I272 D278 L281 V283 A286 L289 E299 L300 L301C172-W274 HydrophobicContact CB-CD2 4.3Å; C172-W274 HydrophobicContact CB-CZ2 4.42Å; C172-W274 VanDerWaalsContact SG-CD1 3.52Å; P173-W274 HydrophobicContact CG-CH2 4.04Å; P173-W274 HydrophobicContact CG-CZ3 3.74Å; P173-W274 WeakPolarHBondContact O-CH2 3.3Å; L176-W274 HydrophobicContact CD1-CH2 3.97Å; L176-W274 HydrophobicContact CD1-CZ3 4.31Å; I272-W274 HydrophobicContact CG2-CE3 4.08Å; W274-D278 PolarHBondContact NE1-OD2 2.92Å; W274-L281 HydrophobicContact CZ2-CB 3.79Å; W274-L281 PolarHBondContact NE1-O 3.16Å; W274-V283 HydrophobicContact CB-CG2 4.31Å; W274-V283 HydrophobicContact CG-CG2 4.26Å; W274-A286 HydrophobicContact CB-CB 4.4Å; W274-A286 HydrophobicContact CD2-CB 4.44Å; W274-A286 HydrophobicContact CE3-CB 3.97Å; W274-L289 HydrophobicContact CZ3-CD1 4.12Å; W274-E299 PolarHBondContact N-O 3.47Å; W274-L300 HydrophobicContact CB-CD2 3.75Å; W274-L300 CarbonylContact O-C 3.59Å; W274-L300 WeakPolarHBondContact O-CA 3.21Å; W274-L301 PolarHBondContact O-N 3.02Å
275G98.4Very high97.3Very high0 Ų033.4 Ų33.40%017%0.165CC..EExtended strand (participates in β ladder)trans-81.1127.6168.800000111.3Q277 D278 C304G275-Q277 PolarHBondContact O-N 3.25Å; G275-Q277 VanDerWaalsContact O-N 3.16Å; G275-D278 VanDerWaalsContact O-CB 3.3Å; G275-D278 WeakPolarHBondContact O-CB 3.44Å; G275-D278 PolarHBondContact O-N 3.13Å; G275-D278 VanDerWaalsContact O-N 3.16Å; G275-C304 CarbonylContact C-O 3.48Å; G275-C304 WeakPolarHBondContact CA-O 3.5Å
276K97.9Very high97.3Very high84 Ų8428.8 Ų28.837%0.36514%0.144SC..THydrogen-bonded Turntrans-66.7-16.7-177.4-74.4-174.369-167.30114.6V283 L300 L301 E302 C304K276-V283 HydrophobicContact CG-CG2 4.39Å; K276-L300 HydrophobicContact CD-CB 4.11Å; K276-L300 HydrophobicContact CG-CB 3.86Å; K276-L301 PolarHBondContact N-O 2.56Å; K276-E302 VanDerWaalsContact CD-CD 3.46Å; K276-E302 HydrophobicContact CD-CG 4.41Å; K276-E302 VanDerWaalsContact CD-OE1 3.25Å; K276-E302 WeakPolarHBondContact CD-OE1 3.47Å; K276-E302 WeakPolarHBondContact CD-OE2 3.45Å; K276-E302 WeakPolarHBondContact CE-OE1 3.43Å; K276-E302 VanDerWaalsContact NZ-CD 3.3Å; K276-E302 IonicContact NZ-OE1 2.59Å; K276-E302 PolarHBondContact NZ-OE1 3.26Å; K276-E302 IonicContact NZ-OE2 3.74Å; K276-E302 PolarHBondContact NZ-OE2 2.91Å; K276-C304 PolarHBondContact N-O 3.46Å
277Q97.1Very high97.2Very high56 Ų5632.9 Ų32.926%0.26217%0.166SC..THydrogen-bonded Turntrans-112.327.6178.1-6678.428.300111.5Y219 G275 Q279 C304Y219-Q277 HydrophobicContact CD2-CB 3.57Å; Y219-Q277 HydrophobicContact CD2-CG 3.59Å; Y219-Q277 HydrophobicContact CE2-CB 4.37Å; Y219-Q277 HydrophobicContact CE2-CG 3.88Å; Y219-Q277 HydrophobicContact CG-CB 4.34Å; G275-Q277 PolarHBondContact O-N 3.25Å; G275-Q277 VanDerWaalsContact O-N 3.16Å; Q277-Q279 PolarHBondContact O-N 2.74Å; Q277-C304 PolarHBondContact N-O 3.46Å; Q277-C304 PolarHBondContact OE1-O 2.85Å
278D97.3Very high97.3Very high12 Ų1227.3 Ų27.36%0.06414%0.144CC..  trans-63112.9171.5-170-18.8000110C172 W274 G275 V280 L281 H306C172-D278 WeakPolarHBondContact CB-OD2 3.39Å; C172-D278 PolarHBondContact SG-OD2 3.49Å; W274-D278 PolarHBondContact NE1-OD2 2.92Å; G275-D278 VanDerWaalsContact O-CB 3.3Å; G275-D278 WeakPolarHBondContact O-CB 3.44Å; G275-D278 PolarHBondContact O-N 3.13Å; G275-D278 VanDerWaalsContact O-N 3.16Å; D278-V280 WeakPolarHBondContact OD1-CA 3.4Å; D278-V280 WeakPolarHBondContact OD1-CB 3.28Å; D278-V280 PolarHBondContact OD1-N 3.45Å; D278-L281 VanDerWaalsContact CB-O 3.24Å; D278-L281 WeakPolarHBondContact CB-O 3.39Å; D278-L281 PolarHBondContact OD1-N 3Å; D278-H306 VanDerWaalsContact OD1-CB 3.28Å; D278-H306 WeakPolarHBondContact OD1-CB 3.27Å; D278-H306 IonicContact OD1-CG 3.26Å; D278-H306 IonicContact OD1-ND1 3.22Å; D278-H306 PolarHBondContact OD1-ND1 3.28Å; D278-H306 WeakPolarHBondContact OD2-CA 3.39Å; D278-H306 IonicContact OD2-CE1 3.71Å; D278-H306 IonicContact OD2-CG 3.67Å; D278-H306 IonicContact OD2-ND1 2.64Å; D278-H306 PolarHBondContact OD2-ND1 3.47Å
279Q95.1Very high97.4Very high85 Ų8526.6 Ų26.640%0.39714%0.139SC..SBendtrans-93.7-7.7178.2-72166.482.800112.4F184 L216 Q277F184-Q279 WeakPolarHBondContact CB-O 3.48Å; L216-Q279 HydrophobicContact CD1-CB 4.02Å; Q277-Q279 PolarHBondContact O-N 2.74Å
280V94.6Very high97.4Very high3 Ų326.7 Ų26.72%0.01814%0.142CC..SBendtrans-88.1-52.8177.4-176.50000108.8N182 F184 L216 D278 H306N182-V280 PolarHBondContact ND2-O 3.22Å; F184-V280 HydrophobicContact CD1-CG1 3.96Å; F184-V280 VanDerWaalsContact CD1-O 3.3Å; F184-V280 WeakPolarHBondContact CD1-O 3.4Å; F184-V280 HydrophobicContact CE1-CG1 3.69Å; F184-V280 HydrophobicContact CZ-CG1 4.21Å; L216-V280 HydrophobicContact CD2-CG2 4.32Å; L216-V280 HydrophobicContact CG-CG2 3.95Å; D278-V280 WeakPolarHBondContact OD1-CA 3.4Å; D278-V280 WeakPolarHBondContact OD1-CB 3.28Å; D278-V280 PolarHBondContact OD1-N 3.45Å; V280-H306 HydrophobicContact CB-CB 4.11Å; V280-H306 HydrophobicContact CG2-CB 3.82Å
281L94.7Very high97.3Very high20 Ų2035.4 Ų35.411%0.10518%0.18CC..SBendtrans-126.1126.5-179.4-56.5179.7000110.1C172 P173 A174 W274 D278C172-L281 WeakPolarHBondContact O-CD1 3.43Å; P173-L281 WeakPolarHBondContact O-CD1 3.46Å; A174-L281 HydrophobicContact CB-CD1 4.03Å; W274-L281 HydrophobicContact CZ2-CB 3.79Å; W274-L281 PolarHBondContact NE1-O 3.16Å; D278-L281 VanDerWaalsContact CB-O 3.24Å; D278-L281 WeakPolarHBondContact CB-O 3.39Å; D278-L281 PolarHBondContact OD1-N 3Å
282D95.8Very high97.2Very high60 Ų6036.9 Ų36.932%0.32119%0.191SC..  trans-64.3137.8-173.9-169.4-92000112.3Y178 S284 G285Y178-D282 HydrophobicContact CD1-CB 4.08Å; Y178-D282 HydrophobicContact CE1-CB 3.95Å; Y178-D282 WeakPolarHBondContact CE1-O 3.46Å; D282-S284 PolarHBondContact O-N 3.16Å; D282-S284 VanDerWaalsContact O-N 3.14Å; D282-S284 WeakPolarHBondContact OD1-CB 3.24Å; D282-S284 PolarHBondContact OD1-N 2.82Å; D282-S284 PolarHBondContact OD1-OG 3.33Å; D282-G285 PolarHBondContact O-N 3.14Å
283V96.9Very high97.2Very high39 Ų3937 Ų3724%0.23619%0.192CC..THydrogen-bonded Turntrans-61.7-23-176.8680000113.1W274 K276 G285 A286 L300W274-V283 HydrophobicContact CB-CG2 4.31Å; W274-V283 HydrophobicContact CG-CG2 4.26Å; K276-V283 HydrophobicContact CG-CG2 4.39Å; V283-G285 PolarHBondContact O-N 3.27Å; V283-A286 WeakPolarHBondContact O-CB 3.07Å; V283-A286 PolarHBondContact O-N 3.26Å; V283-L300 HydrophobicContact CG2-CD1 4.38Å; V283-L300 HydrophobicContact CG2-CD2 3.86Å
284S96.8Very high96.8Very high40 Ų4042.2 Ų42.228%0.2824%0.235SC..THydrogen-bonded Turntrans-59.2-17.1173.363.40000113.3D282 A286 D287 I288D282-S284 PolarHBondContact O-N 3.16Å; D282-S284 VanDerWaalsContact O-N 3.14Å; D282-S284 WeakPolarHBondContact OD1-CB 3.24Å; D282-S284 PolarHBondContact OD1-N 2.82Å; D282-S284 PolarHBondContact OD1-OG 3.33Å; S284-A286 PolarHBondContact O-N 3.23Å; S284-D287 PolarHBondContact O-N 2.98Å; S284-D287 VanDerWaalsContact O-N 3.08Å; S284-I288 WeakPolarHBondContact O-CG1 3.44Å; S284-I288 PolarHBondContact O-N 3.1Å; S284-I288 VanDerWaalsContact O-N 3.12Å
285G97.3Very high96.5Very high0 Ų046.2 Ų46.20%026%0.257CS..Hα-helixtrans-57-30.717100000113.3L176 D282 V283 I288 L289L176-G285 WeakPolarHBondContact CD1-O 3.49Å; D282-G285 PolarHBondContact O-N 3.14Å; V283-G285 PolarHBondContact O-N 3.27Å; G285-I288 PolarHBondContact O-N 2.96Å; G285-L289 WeakPolarHBondContact O-CG 3.43Å; G285-L289 PolarHBondContact O-N 2.76Å; G285-L289 VanDerWaalsContact O-N 3.08Å
286A98Very high96.4Very high0 Ų047.9 Ų47.90%027%0.268CS..Hα-helixtrans-63.4-43.1174.600000112I272 W274 V283 S284 L289 A290 V298 L300I272-A286 HydrophobicContact CG2-CB 4.07Å; W274-A286 HydrophobicContact CB-CB 4.4Å; W274-A286 HydrophobicContact CD2-CB 4.44Å; W274-A286 HydrophobicContact CE3-CB 3.97Å; V283-A286 WeakPolarHBondContact O-CB 3.07Å; V283-A286 PolarHBondContact O-N 3.26Å; S284-A286 PolarHBondContact O-N 3.23Å; A286-L289 PolarHBondContact O-N 3.3Å; A286-A290 VanDerWaalsContact O-CB 3.29Å; A286-A290 WeakPolarHBondContact O-CB 3.32Å; A286-A290 PolarHBondContact O-N 3.27Å; A286-V298 HydrophobicContact CB-CG1 4Å; A286-L300 HydrophobicContact CB-CD2 3.77Å
287D97.6Very high96.3Very high89 Ų8947.9 Ų47.948%0.47627%0.269SS..Hα-helixtrans-70.2-36.6178.3-71.7-18.5000112S284 A290 K291S284-D287 PolarHBondContact O-N 2.98Å; S284-D287 VanDerWaalsContact O-N 3.08Å; D287-A290 PolarHBondContact O-N 3.32Å; D287-K291 WeakPolarHBondContact O-CB 3.49Å; D287-K291 VanDerWaalsContact O-CG 3.28Å; D287-K291 WeakPolarHBondContact O-CG 3.3Å; D287-K291 PolarHBondContact O-N 2.85Å
288I97.9Very high96.4Very high37 Ų3747.7 Ų47.719%0.1927%0.272CS..Hα-helixtrans-58.7-49.9175.1-67.1171.2000110Q177 Y178 M263 S284 G285 S292Q177-I288 WeakPolarHBondContact O-CD1 3.13Å; Y178-I288 HydrophobicContact CD1-CD1 4Å; Y178-I288 HydrophobicContact CE1-CD1 4.42Å; M263-I288 HydrophobicContact CE-CG2 4.03Å; M263-I288 HydrophobicContact SD-CG2 4.08Å; S284-I288 WeakPolarHBondContact O-CG1 3.44Å; S284-I288 PolarHBondContact O-N 3.1Å; S284-I288 VanDerWaalsContact O-N 3.12Å; G285-I288 PolarHBondContact O-N 2.96Å; I288-S292 PolarHBondContact O-N 3.01Å
289L98.3Very high96.5Very high0 Ų050.2 Ų50.20%028%0.283CS..Hα-helixtrans-64.3-43.5177.2-74172.9000111.8L170 P173 L176 L259 M263 I272 W274 G285 A286 K291 S292 I293L170-L289 HydrophobicContact CD1-CD1 3.99Å; L170-L289 HydrophobicContact CD1-CD2 4.41Å; P173-L289 HydrophobicContact CG-CD1 3.62Å; L176-L289 HydrophobicContact CD1-CD1 4.04Å; L176-L289 HydrophobicContact CD1-CD2 4.48Å; L176-L289 HydrophobicContact CD1-CG 3.88Å; L176-L289 HydrophobicContact CD2-CD2 3.79Å; L176-L289 HydrophobicContact CD2-CG 4.09Å; L259-L289 HydrophobicContact CD2-CD2 4.25Å; L259-L289 HydrophobicContact CG-CD2 4.41Å; M263-L289 HydrophobicContact CB-CD2 4.18Å; M263-L289 HydrophobicContact SD-CD2 4.16Å; I272-L289 HydrophobicContact CD1-CB 3.51Å; I272-L289 HydrophobicContact CD1-CD1 4.32Å; I272-L289 HydrophobicContact CG1-CB 4.45Å; I272-L289 HydrophobicContact CG1-CD1 4.44Å; I272-L289 HydrophobicContact CG2-CD1 4.4Å; W274-L289 HydrophobicContact CZ3-CD1 4.12Å; G285-L289 WeakPolarHBondContact O-CG 3.43Å; G285-L289 PolarHBondContact O-N 2.76Å; G285-L289 VanDerWaalsContact O-N 3.08Å; A286-L289 PolarHBondContact O-N 3.3Å; L289-K291 VanDerWaalsContact C-N 3.29Å; L289-K291 PolarHBondContact O-N 2.89Å; L289-S292 PolarHBondContact O-N 3.14Å; L289-S292 VanDerWaalsContact O-N 3.08Å; L289-I293 HydrophobicContact CB-CD1 4.45Å; L289-I293 HydrophobicContact CD2-CD1 4.07Å; L289-I293 WeakPolarHBondContact O-CG1 3.2Å; L289-I293 PolarHBondContact O-N 2.92Å
290A97.7Very high96.6Very high32 Ų3249.7 Ų49.726%0.26428%0.282SS..Hα-helixtrans-64.7-33-177.100000113.3A286 D287 S292 C296 V298A286-A290 VanDerWaalsContact O-CB 3.29Å; A286-A290 WeakPolarHBondContact O-CB 3.32Å; A286-A290 PolarHBondContact O-N 3.27Å; D287-A290 PolarHBondContact O-N 3.32Å; A290-S292 VanDerWaalsContact C-N 3.32Å; A290-C296 VanDerWaalsContact CA-SG 3.51Å; A290-V298 HydrophobicContact CB-CG2 3.72Å
291K97.2Very high96.8Very high183 Ų18350.1 Ų50.180%0.79629%0.285SS*.Hα-helixtrans-71.3-26.2174.3-72.8171.5-175.6174.20113.1D287 L289D287-K291 WeakPolarHBondContact O-CB 3.49Å; D287-K291 VanDerWaalsContact O-CG 3.28Å; D287-K291 WeakPolarHBondContact O-CG 3.3Å; D287-K291 PolarHBondContact O-N 2.85Å; L289-K291 VanDerWaalsContact C-N 3.29Å; L289-K291 PolarHBondContact O-N 2.89Å
292S97.4Very high97Very high35 Ų3554 Ų5425%0.24530%0.302CS..Hα-helixtrans-94.7-37.1-177-171.60000113.3M263 D264 I288 L289 A290M263-S292 VanDerWaalsContact CG-OG 3.3Å; M263-S292 WeakPolarHBondContact CG-OG 3.25Å; M263-S292 VanDerWaalsContact SD-CB 3.59Å; D264-S292 WeakPolarHBondContact CA-OG 3.45Å; D264-S292 PolarHBondContact N-OG 3.24Å; I288-S292 PolarHBondContact O-N 3.01Å; L289-S292 PolarHBondContact O-N 3.14Å; L289-S292 VanDerWaalsContact O-N 3.08Å; A290-S292 VanDerWaalsContact C-N 3.32Å
293I97.3Very high97Very high2 Ų254.7 Ų54.71%0.0131%0.306CS..  trans-94.5108.1-176.6-55.9174.9000109.6I266 T270 L289 N295 C296I266-I293 HydrophobicContact CB-CD1 4.4Å; I266-I293 HydrophobicContact CB-CG1 4.33Å; I266-I293 HydrophobicContact CD1-CD1 3.92Å; I266-I293 HydrophobicContact CG2-CD1 4.38Å; I266-I293 HydrophobicContact CG2-CG2 4.29Å; T270-I293 HydrophobicContact CG2-CD1 4.15Å; L289-I293 HydrophobicContact CB-CD1 4.45Å; L289-I293 HydrophobicContact CD2-CD1 4.07Å; L289-I293 WeakPolarHBondContact O-CG1 3.2Å; L289-I293 PolarHBondContact O-N 2.92Å; I293-N295 VanDerWaalsContact C-N 3.33Å; I293-N295 PolarHBondContact O-N 3.05Å; I293-C296 HydrophobicContact CB-CB 4.33Å; I293-C296 HydrophobicContact CG2-CB 4.21Å; I293-C296 PolarHBondContact O-SG 2.75Å
294A90.9Very high97Very high110 Ų11052.9 Ų52.991%0.90930%0.295SS*.SBendtrans-61.1-33.1-17200000115.2
295N91.9Very high97.1Very high84 Ų8451 Ų5145%0.44928%0.281SS..SBendtrans-114.774.3-179.3-173.88.3000110.3T270 I293T270-N295 PolarHBondContact N-O 3.33Å; I293-N295 VanDerWaalsContact C-N 3.33Å; I293-N295 PolarHBondContact O-N 3.05Å
296C96Very high97.1Very high35 Ų3551.6 Ų51.624%0.23629%0.285CS..EExtended strand (participates in β ladder)trans-122.2150.2179.968.90000113.8T270 I272 A290 I293T270-C296 CarbonylContact O-C 3.58Å; T270-C296 WeakPolarHBondContact O-CA 3.31Å; I272-C296 HydrophobicContact CD1-CB 4.1Å; A290-C296 VanDerWaalsContact CA-SG 3.51Å; I293-C296 HydrophobicContact CB-CB 4.33Å; I293-C296 HydrophobicContact CG2-CB 4.21Å; I293-C296 PolarHBondContact O-SG 2.75Å
297Q97.5Very high97Very high83 Ų8353 Ų5339%0.38829%0.294SS..EExtended strand (participates in β ladder)trans-117.6131.1167.1-62.1-178-4.800108.2T270 Q271 I272T270-Q297 PolarHBondContact O-N 2.87Å; Q271-Q297 CarbonylContact C-O 3.39Å; Q271-Q297 WeakPolarHBondContact CA-O 3.31Å; I272-Q297 PolarHBondContact N-O 2.9Å
298V98.6Very high97Very high53 Ų5348.7 Ų48.732%0.32127%0.271SS..EExtended strand (participates in β ladder)trans-113.7129.8-176.6-175.50000110.2I272 A286 A290 L300I272-V298 HydrophobicContact CB-CG2 4.34Å; I272-V298 HydrophobicContact CD1-CG2 4.12Å; I272-V298 CarbonylContact O-C 3.59Å; I272-V298 WeakPolarHBondContact O-CA 3.24Å; A286-V298 HydrophobicContact CB-CG1 4Å; A290-V298 HydrophobicContact CB-CG2 3.72Å; V298-L300 HydrophobicContact CG1-CD2 3.95Å; V298-L300 HydrophobicContact CG1-CG 4.18Å
299E98.6Very high97Very high65 Ų6547 Ų4730%0.30426%0.262SS..EExtended strand (participates in β ladder)trans-126.5106.5179.3-67.8-72167.200109.6I272 I273 W274 L319I272-E299 PolarHBondContact O-N 3.38Å; I273-E299 WeakPolarHBondContact CA-O 3.5Å; I273-E299 HydrophobicContact CG1-CB 4.39Å; W274-E299 PolarHBondContact N-O 3.47Å; E299-L319 HydrophobicContact CB-CD1 3.94Å; E299-L319 HydrophobicContact CG-CD1 4.08Å; E299-L319 HydrophobicContact CG-CD2 3.84Å
300L98.6Very high96.8Very high73 Ų7351.7 Ų51.738%0.38229%0.286SS..EExtended strand (participates in β ladder)trans-96.8121.5175.9-56.5-174.5000109.9W274 K276 V283 A286 V298W274-L300 HydrophobicContact CB-CD2 3.75Å; W274-L300 CarbonylContact O-C 3.59Å; W274-L300 WeakPolarHBondContact O-CA 3.21Å; K276-L300 HydrophobicContact CD-CB 4.11Å; K276-L300 HydrophobicContact CG-CB 3.86Å; V283-L300 HydrophobicContact CG2-CD1 4.38Å; V283-L300 HydrophobicContact CG2-CD2 3.86Å; A286-L300 HydrophobicContact CB-CD2 3.77Å; V298-L300 HydrophobicContact CG1-CD2 3.95Å; V298-L300 HydrophobicContact CG1-CG 4.18Å
301L98.4Very high96.7Very high12 Ų1251.3 Ų51.36%0.06328%0.278CS..EExtended strand (participates in β ladder)trans-98.3118.3-175.3-55.6-172.7000110.8I273 W274 K276 C304 V308 R312 K315 L319I273-L301 HydrophobicContact CG2-CD1 3.9Å; I273-L301 HydrophobicContact CG2-CG 4.13Å; W274-L301 PolarHBondContact O-N 3.02Å; K276-L301 PolarHBondContact N-O 2.56Å; L301-C304 HydrophobicContact CB-CB 3.77Å; L301-C304 WeakPolarHBondContact O-CB 3.31Å; L301-V308 HydrophobicContact CD1-CG1 3.73Å; L301-R312 HydrophobicContact CD1-CB 4.09Å; L301-R312 HydrophobicContact CD1-CG 4.22Å; L301-K315 HydrophobicContact CD2-CG 4.19Å; L301-L319 HydrophobicContact CD2-CD1 4.11Å
302E97.5Very high96.7Very high103 Ų10345.9 Ų45.948%0.48125%0.253SS..THydrogen-bonded Turntrans-65.4147.9171.6-61.5-66169.100111.9K276 C304 R312K276-E302 VanDerWaalsContact CD-CD 3.46Å; K276-E302 HydrophobicContact CD-CG 4.41Å; K276-E302 VanDerWaalsContact CD-OE1 3.25Å; K276-E302 WeakPolarHBondContact CD-OE1 3.47Å; K276-E302 WeakPolarHBondContact CD-OE2 3.45Å; K276-E302 WeakPolarHBondContact CE-OE1 3.43Å; K276-E302 VanDerWaalsContact NZ-CD 3.3Å; K276-E302 IonicContact NZ-OE1 2.59Å; K276-E302 PolarHBondContact NZ-OE1 3.26Å; K276-E302 IonicContact NZ-OE2 3.74Å; K276-E302 PolarHBondContact NZ-OE2 2.91Å; E302-C304 PolarHBondContact O-N 2.97Å; E302-R312 PolarHBondContact O-NH2 2.81Å
303N96.6Very high96.7Very high74 Ų7445.6 Ų45.640%0.39625%0.25SS..THydrogen-bonded Turntrans56.335.6177.9-58.8-36.3000112.3Y219 R312Y219-N303 HydrophobicContact CD1-CB 3.76Å; Y219-N303 WeakPolarHBondContact CD1-O 3.29Å; Y219-N303 HydrophobicContact CE1-CB 3.43Å; Y219-N303 VanDerWaalsContact CE1-CB 3.43Å; Y219-N303 HydrophobicContact CG-CB 4.49Å; Y219-N303 PolarHBondContact OH-OD1 2.87Å; N303-R312 PolarHBondContact O-NH2 2.88Å
304C98Very high96.8Very high0 Ų054.4 Ų54.40%028%0.283CS..  trans-134.4131.4-173.8-169.10000109.5G275 K276 Q277 L301 E302 R312G275-C304 CarbonylContact C-O 3.48Å; G275-C304 WeakPolarHBondContact CA-O 3.5Å; K276-C304 PolarHBondContact N-O 3.46Å; Q277-C304 PolarHBondContact N-O 3.46Å; Q277-C304 PolarHBondContact OE1-O 2.85Å; L301-C304 HydrophobicContact CB-CB 3.77Å; L301-C304 WeakPolarHBondContact O-CB 3.31Å; E302-C304 PolarHBondContact O-N 2.97Å; C304-R312 HydrophobicContact CB-CG 4.23Å
305G97.5Very high97.1Very high0 Ų053.7 Ų53.70%026%0.26CS..  trans-93.5-154.2175.100000112.2S307 E311G305-S307 VanDerWaalsContact C-N 3.34Å; G305-S307 PolarHBondContact O-N 3.39Å; G305-E311 VanDerWaalsContact CA-OE1 3.24Å; G305-E311 WeakPolarHBondContact CA-OE1 3.5Å; G305-E311 PolarHBondContact N-OE1 3.23Å
306H97.8Very high97.5Very high14 Ų1449.7 Ų49.77%0.06524%0.238CC..SBendtrans-64.1-36.4-177.4-166.657.6000113.3S148 C217 D278 V280 V308S148-H306 VanDerWaalsContact CB-NE2 3.26Å; S148-H306 WeakPolarHBondContact CB-NE2 3.31Å; S148-H306 PolarHBondContact OG-CE1 2.94Å; S148-H306 PolarHBondContact OG-NE2 3.24Å; C217-H306 HydrophobicContact CB-CB 4.41Å; C217-H306 WeakPolarHBondContact O-CA 3.26Å; C217-H306 WeakPolarHBondContact O-CB 3.4Å; C217-H306 PolarHBondContact O-N 2.86Å; D278-H306 VanDerWaalsContact OD1-CB 3.28Å; D278-H306 WeakPolarHBondContact OD1-CB 3.27Å; D278-H306 IonicContact OD1-CG 3.26Å; D278-H306 IonicContact OD1-ND1 3.22Å; D278-H306 PolarHBondContact OD1-ND1 3.28Å; D278-H306 WeakPolarHBondContact OD2-CA 3.39Å; D278-H306 IonicContact OD2-CE1 3.71Å; D278-H306 IonicContact OD2-CG 3.67Å; D278-H306 IonicContact OD2-ND1 2.64Å; D278-H306 PolarHBondContact OD2-ND1 3.47Å; V280-H306 HydrophobicContact CB-CB 4.11Å; V280-H306 HydrophobicContact CG2-CB 3.82Å; H306-V308 PolarHBondContact O-N 3.27Å
307S96.1Very high97.6Very high28 Ų2848.1 Ų48.120%0.19623%0.227CC..  trans-8350.7-174.2-62.20000112.4C217 G305 V309 M310 E311C217-S307 WeakPolarHBondContact CB-OG 3.41Å; C217-S307 WeakPolarHBondContact O-CB 3.42Å; C217-S307 PolarHBondContact O-N 3.16Å; C217-S307 PolarHBondContact O-OG 3.16Å; G305-S307 VanDerWaalsContact C-N 3.34Å; G305-S307 PolarHBondContact O-N 3.39Å; S307-V309 VanDerWaalsContact C-N 3.25Å; S307-V309 PolarHBondContact O-N 3.44Å; S307-V309 VanDerWaalsContact O-N 3.13Å; S307-M310 WeakPolarHBondContact O-CA 3.41Å; S307-M310 PolarHBondContact O-N 2.91Å; S307-E311 PolarHBondContact O-N 3.47Å
308V97.9Very high97.6Very high0 Ų049.6 Ų49.60%023%0.233CC..Hα-helixtrans-48.3-45.8-175.2171.20000112.5V171 I273 L301 H306 M310 E311 R312 T316V171-V308 HydrophobicContact CG1-CB 3.64Å; V171-V308 HydrophobicContact CG1-CG1 3.84Å; V171-V308 HydrophobicContact CG1-CG2 4.11Å; I273-V308 HydrophobicContact CG2-CG1 3.92Å; L301-V308 HydrophobicContact CD1-CG1 3.73Å; H306-V308 PolarHBondContact O-N 3.27Å; V308-M310 PolarHBondContact O-N 3.48Å; V308-E311 PolarHBondContact O-N 3.16Å; V308-R312 WeakPolarHBondContact O-CA 3.5Å; V308-R312 PolarHBondContact O-N 3.17Å; V308-T316 WeakPolarHBondContact CG1-OG1 3.36Å
309V96.6Very high97.6Very high1 Ų147.4 Ų47.41%0.00622%0.219CC..Hα-helixtrans-65-25.1-178.7-620000113.3M86 W87 S89 V90 V171 S307 P313 T316M86-V309 HydrophobicContact CE-CG2 3.49Å; M86-V309 VanDerWaalsContact CE-CG2 3.49Å; M86-V309 HydrophobicContact CG-CG2 4.07Å; M86-V309 HydrophobicContact SD-CG2 4.03Å; W87-V309 HydrophobicContact CE3-CG1 4.22Å; W87-V309 HydrophobicContact CH2-CG1 4.04Å; W87-V309 HydrophobicContact CZ3-CG1 3.56Å; S89-V309 PolarHBondContact OG-O 2.94Å; V90-V309 HydrophobicContact CG2-CB 3.71Å; V90-V309 HydrophobicContact CG2-CG1 4.04Å; V171-V309 HydrophobicContact CG1-CG1 4.46Å; S307-V309 VanDerWaalsContact C-N 3.25Å; S307-V309 PolarHBondContact O-N 3.44Å; S307-V309 VanDerWaalsContact O-N 3.13Å; V309-P313 WeakPolarHBondContact O-CA 3.49Å; V309-P313 WeakPolarHBondContact O-CB 3.37Å; V309-T316 HydrophobicContact CG1-CG2 4.22Å
310M95.1Very high97.6Very high99 Ų9944.4 Ų44.449%0.48821%0.205SC..Hα-helixtrans-94.1-36.8178.7-63.8-55.6-69.500111.9M86 S89 S307 V308 P313M86-M310 HydrophobicContact CG-CG 4.5Å; M86-M310 HydrophobicContact CG-SD 4.24Å; S89-M310 PolarHBondContact OG-SD 3.07Å; S307-M310 WeakPolarHBondContact O-CA 3.41Å; S307-M310 PolarHBondContact O-N 2.91Å; V308-M310 PolarHBondContact O-N 3.48Å; M310-P313 WeakPolarHBondContact O-CD 3.39Å
311E96.1Very high97.6Very high24 Ų2443.1 Ų43.111%0.11220%0.2CC..Hα-helixtrans-81.2-30.9-178.1-68.4-164.4-94.500113.4S218 Y219 V220 G305 S307 V308 P313S218-E311 VanDerWaalsContact CA-OE1 3.3Å; S218-E311 WeakPolarHBondContact CA-OE1 3.31Å; Y219-E311 VanDerWaalsContact N-CD 3.32Å; Y219-E311 PolarHBondContact N-OE1 3.12Å; Y219-E311 VanDerWaalsContact N-OE1 3.13Å; Y219-E311 PolarHBondContact N-OE2 3.49Å; V220-E311 PolarHBondContact N-OE2 2.98Å; G305-E311 VanDerWaalsContact CA-OE1 3.24Å; G305-E311 WeakPolarHBondContact CA-OE1 3.5Å; G305-E311 PolarHBondContact N-OE1 3.23Å; S307-E311 PolarHBondContact O-N 3.47Å; V308-E311 PolarHBondContact O-N 3.16Å; E311-P313 VanDerWaalsContact C-CD 3.42Å
312R97.3Very high97.6Very high68 Ų6846.2 Ų46.226%0.25722%0.217SC..SBendtrans-131.941.6-175.9-64.8-62.7-175.6-84.8-2.3113.4L301 E302 N303 C304 V308 R314 K315 T316L301-R312 HydrophobicContact CD1-CB 4.09Å; L301-R312 HydrophobicContact CD1-CG 4.22Å; E302-R312 PolarHBondContact O-NH2 2.81Å; N303-R312 PolarHBondContact O-NH2 2.88Å; C304-R312 HydrophobicContact CB-CG 4.23Å; V308-R312 WeakPolarHBondContact O-CA 3.5Å; V308-R312 PolarHBondContact O-N 3.17Å; R312-R314 VanDerWaalsContact C-N 3.33Å; R312-R314 PolarHBondContact O-N 2.95Å; R312-R314 VanDerWaalsContact O-N 3.12Å; R312-K315 HydrophobicContact CB-CB 4.3Å; R312-K315 PolarHBondContact O-N 3.38Å; R312-T316 PolarHBondContact O-N 3.37Å; R312-T316 PolarHBondContact O-OG1 3.33Å
313P97.5Very high97.6Very high29 Ų2941.6 Ų41.619%0.18820%0.195CC..Hα-helixtrans-55.7-41.7-168.620.1-32.8000114.2S89 V90 F93 V309 M310 E311 A317S89-P313 VanDerWaalsContact O-CB 3.27Å; S89-P313 WeakPolarHBondContact O-CB 3.44Å; V90-P313 HydrophobicContact CG2-CB 4.44Å; F93-P313 HydrophobicContact CD2-CB 4.12Å; F93-P313 HydrophobicContact CE2-CB 3.86Å; F93-P313 HydrophobicContact CE2-CG 4.09Å; V309-P313 WeakPolarHBondContact O-CA 3.49Å; V309-P313 WeakPolarHBondContact O-CB 3.37Å; M310-P313 WeakPolarHBondContact O-CD 3.39Å; E311-P313 VanDerWaalsContact C-CD 3.42Å; P313-A317 VanDerWaalsContact O-CB 3.31Å; P313-A317 WeakPolarHBondContact O-CB 3.46Å; P313-A317 PolarHBondContact O-N 3.09Å
314R98.3Very high97.5Very high188 Ų18838.6 Ų38.671%0.70918%0.179SC*.Hα-helixtrans-68-41.3179-173.6178.8-179.8178.60.6112.2F93 R312 K318F93-R314 HydrophobicContact CD1-CB 4.14Å; F93-R314 HydrophobicContact CD1-CG 3.97Å; F93-R314 HydrophobicContact CD2-CB 4.17Å; F93-R314 HydrophobicContact CE1-CB 4.12Å; F93-R314 HydrophobicContact CE1-CG 4.18Å; F93-R314 HydrophobicContact CE2-CB 4.17Å; F93-R314 HydrophobicContact CG-CB 4.16Å; F93-R314 HydrophobicContact CG-CG 4.28Å; F93-R314 HydrophobicContact CZ-CB 4.13Å; R312-R314 VanDerWaalsContact C-N 3.33Å; R312-R314 PolarHBondContact O-N 2.95Å; R312-R314 VanDerWaalsContact O-N 3.12Å; R314-K318 PolarHBondContact O-N 2.91Å
315K98.4Very high97.3Very high95 Ų9540.8 Ų40.841%0.41320%0.198SC..Hα-helixtrans-68.9-44177.417768.5179.3-177.60109.9L301 R312 A317 K318 L319L301-K315 HydrophobicContact CD2-CG 4.19Å; R312-K315 HydrophobicContact CB-CB 4.3Å; R312-K315 PolarHBondContact O-N 3.38Å; K315-A317 PolarHBondContact O-N 3.26Å; K315-K318 PolarHBondContact O-N 3.33Å; K315-L319 HydrophobicContact CD-CG 4.39Å; K315-L319 HydrophobicContact CG-CD1 4.25Å; K315-L319 HydrophobicContact CG-CG 4.49Å; K315-L319 WeakPolarHBondContact O-CG 3.34Å; K315-L319 PolarHBondContact O-N 3.26Å
316T98.4Very high97.2Very high0 Ų042.6 Ų42.60%021%0.21CC..Hα-helixtrans-58.3-48174.7-52.50000111.7V90 I273 V308 V309 R312 K318 L319 I320V90-T316 HydrophobicContact CG2-CG2 4.28Å; I273-T316 HydrophobicContact CD1-CG2 4.46Å; V308-T316 WeakPolarHBondContact CG1-OG1 3.36Å; V309-T316 HydrophobicContact CG1-CG2 4.22Å; R312-T316 PolarHBondContact O-N 3.37Å; R312-T316 PolarHBondContact O-OG1 3.33Å; T316-K318 VanDerWaalsContact C-N 3.31Å; T316-K318 PolarHBondContact O-N 2.91Å; T316-L319 PolarHBondContact O-N 2.89Å; T316-I320 HydrophobicContact CG2-CD1 3.92Å; T316-I320 VanDerWaalsContact O-CG1 3.32Å; T316-I320 WeakPolarHBondContact O-CG1 3.47Å; T316-I320 PolarHBondContact O-N 3.26Å
317A98.6Very high96.9Very high1 Ų142.1 Ų42.11%0.00821%0.208CC..Hα-helixtrans-59.4-41.6176.300000112.5V90 F93 L94 P313 K315 V321V90-A317 HydrophobicContact CG1-CB 3.9Å; F93-A317 HydrophobicContact CB-CB 3.48Å; F93-A317 VanDerWaalsContact CB-CB 3.48Å; L94-A317 HydrophobicContact CD2-CB 3.96Å; L94-A317 HydrophobicContact CG-CB 4.44Å; P313-A317 VanDerWaalsContact O-CB 3.31Å; P313-A317 WeakPolarHBondContact O-CB 3.46Å; P313-A317 PolarHBondContact O-N 3.09Å; K315-A317 PolarHBondContact O-N 3.26Å; A317-V321 VanDerWaalsContact O-CG2 3.28Å; A317-V321 WeakPolarHBondContact O-CG2 3.2Å; A317-V321 PolarHBondContact O-N 2.73Å
318K98.6Very high96.2Very high114 Ų11443.4 Ų43.450%0.49621%0.211SC..Hα-helixtrans-62.3-49.6175.5174.7166.5172.650.60111.6R314 K315 T316 I320 V321 D322R314-K318 PolarHBondContact O-N 2.91Å; K315-K318 PolarHBondContact O-N 3.33Å; T316-K318 VanDerWaalsContact C-N 3.31Å; T316-K318 PolarHBondContact O-N 2.91Å; K318-I320 VanDerWaalsContact C-N 3.3Å; K318-I320 PolarHBondContact O-N 3.19Å; K318-V321 PolarHBondContact O-N 2.85Å; K318-D322 WeakPolarHBondContact CE-OD2 3.41Å; K318-D322 VanDerWaalsContact CG-OD2 3.28Å; K318-D322 WeakPolarHBondContact CG-OD2 3.49Å; K318-D322 VanDerWaalsContact NZ-CG 3.35Å; K318-D322 IonicContact NZ-OD1 2.77Å; K318-D322 PolarHBondContact NZ-OD1 2.8Å; K318-D322 IonicContact NZ-OD2 3.57Å; K318-D322 PolarHBondContact NZ-OD2 3.3Å; K318-D322 WeakPolarHBondContact O-CB 3.44Å; K318-D322 PolarHBondContact O-N 3.28Å
319L98.6Very high95.3Very high8 Ų848.1 Ų48.14%0.04224%0.236CC..Hα-helixtrans-58.2-42.6179-72.6176.6000112Q271 I273 E299 L301 K315 T316 F323Q271-L319 PolarHBondContact NE2-O 3.2Å; I273-L319 HydrophobicContact CD1-CB 3.99Å; I273-L319 HydrophobicContact CD1-CD1 4.04Å; I273-L319 HydrophobicContact CG1-CD1 4.39Å; I273-L319 HydrophobicContact CG2-CD1 4.21Å; E299-L319 HydrophobicContact CB-CD1 3.94Å; E299-L319 HydrophobicContact CG-CD1 4.08Å; E299-L319 HydrophobicContact CG-CD2 3.84Å; L301-L319 HydrophobicContact CD2-CD1 4.11Å; K315-L319 HydrophobicContact CD-CG 4.39Å; K315-L319 HydrophobicContact CG-CD1 4.25Å; K315-L319 HydrophobicContact CG-CG 4.49Å; K315-L319 WeakPolarHBondContact O-CG 3.34Å; K315-L319 PolarHBondContact O-N 3.26Å; T316-L319 PolarHBondContact O-N 2.89Å; L319-F323 VanDerWaalsContact O-CB 3.27Å; L319-F323 WeakPolarHBondContact O-CB 3.35Å; L319-F323 PolarHBondContact O-N 2.92Å
320I98.4Very high94.2Very high1 Ų151.4 Ų51.41%0.00526%0.256CS..Hα-helixtrans-60-55.2174.6-69.7164.7000109.3V90 L94 I145 T316 K318 D322 F323 L324V90-I320 HydrophobicContact CG1-CD1 4.13Å; L94-I320 HydrophobicContact CD2-CG2 4.45Å; I145-I320 HydrophobicContact CD1-CD1 3.96Å; I145-I320 HydrophobicContact CD1-CG1 4.18Å; I145-I320 HydrophobicContact CD1-CG2 3.72Å; T316-I320 HydrophobicContact CG2-CD1 3.92Å; T316-I320 VanDerWaalsContact O-CG1 3.32Å; T316-I320 WeakPolarHBondContact O-CG1 3.47Å; T316-I320 PolarHBondContact O-N 3.26Å; K318-I320 VanDerWaalsContact C-N 3.3Å; K318-I320 PolarHBondContact O-N 3.19Å; I320-D322 VanDerWaalsContact C-N 3.35Å; I320-D322 PolarHBondContact O-N 2.89Å; I320-F323 PolarHBondContact O-N 2.86Å; I320-L324 HydrophobicContact CG2-CD1 4.01Å; I320-L324 HydrophobicContact CG2-CG 4.11Å; I320-L324 VanDerWaalsContact O-CG 3.26Å; I320-L324 WeakPolarHBondContact O-CG 3.31Å; I320-L324 PolarHBondContact O-N 3.33Å
321V97.8Very high92.8Very high47 Ų4749.7 Ų49.729%0.28525%0.249SC..Hα-helixtrans-59.6-44.3-176.41700000112.3L94 P95 A317 K318 F323 L324 A325L94-V321 HydrophobicContact CD2-CG2 3.81Å; P95-V321 HydrophobicContact CG-CG2 4.12Å; A317-V321 VanDerWaalsContact O-CG2 3.28Å; A317-V321 WeakPolarHBondContact O-CG2 3.2Å; A317-V321 PolarHBondContact O-N 2.73Å; K318-V321 PolarHBondContact O-N 2.85Å; V321-F323 VanDerWaalsContact C-N 3.32Å; V321-F323 PolarHBondContact O-N 3.46Å; V321-L324 PolarHBondContact O-N 3.01Å; V321-A325 PolarHBondContact O-N 3.18Å
322D97.9Very high91.2Very high77 Ų7752.8 Ų52.841%0.41227%0.267SS..Hα-helixtrans-62.6-41.4179.1-65.8-17.1000110.7K318 I320 A325 S326K318-D322 WeakPolarHBondContact CE-OD2 3.41Å; K318-D322 VanDerWaalsContact CG-OD2 3.28Å; K318-D322 WeakPolarHBondContact CG-OD2 3.49Å; K318-D322 VanDerWaalsContact NZ-CG 3.35Å; K318-D322 IonicContact NZ-OD1 2.77Å; K318-D322 PolarHBondContact NZ-OD1 2.8Å; K318-D322 IonicContact NZ-OD2 3.57Å; K318-D322 PolarHBondContact NZ-OD2 3.3Å; K318-D322 WeakPolarHBondContact O-CB 3.44Å; K318-D322 PolarHBondContact O-N 3.28Å; I320-D322 VanDerWaalsContact C-N 3.35Å; I320-D322 PolarHBondContact O-N 2.89Å; D322-A325 PolarHBondContact O-N 3.49Å; D322-S326 PolarHBondContact O-N 2.96Å; D322-S326 VanDerWaalsContact O-N 3.09Å
323F97.9Very high89.2Confident5 Ų554.4 Ų54.42%0.02228%0.28CS..Hα-helixtrans-67.6-44.6176.4175.4-112.4000112.9P269 Q271 L319 I320 V321 A325 S326 V327P269-F323 HydrophobicContact CB-CE2 4.46Å; P269-F323 HydrophobicContact CB-CZ 4.17Å; Q271-F323 HydrophobicContact CB-CB 4.47Å; Q271-F323 HydrophobicContact CB-CD1 3.7Å; Q271-F323 HydrophobicContact CB-CD2 3.87Å; Q271-F323 HydrophobicContact CB-CE1 3.77Å; Q271-F323 HydrophobicContact CB-CE2 3.95Å; Q271-F323 HydrophobicContact CB-CG 3.75Å; Q271-F323 HydrophobicContact CB-CZ 3.9Å; Q271-F323 HydrophobicContact CG-CG 4.35Å; L319-F323 VanDerWaalsContact O-CB 3.27Å; L319-F323 WeakPolarHBondContact O-CB 3.35Å; L319-F323 PolarHBondContact O-N 2.92Å; I320-F323 PolarHBondContact O-N 2.86Å; V321-F323 VanDerWaalsContact C-N 3.32Å; V321-F323 PolarHBondContact O-N 3.46Å; F323-A325 PolarHBondContact O-N 3.04Å; F323-S326 PolarHBondContact O-N 3.05Å; F323-S326 VanDerWaalsContact O-N 3.1Å; F323-S326 PolarHBondContact O-OG 2.94Å; F323-V327 HydrophobicContact CD2-CG2 4.37Å; F323-V327 HydrophobicContact CE1-CG2 4.24Å; F323-V327 HydrophobicContact CE2-CG2 3.95Å; F323-V327 HydrophobicContact CZ-CG2 3.87Å; F323-V327 WeakPolarHBondContact O-CG2 3.44Å; F323-V327 PolarHBondContact O-N 3.26Å; F323-V327 VanDerWaalsContact O-N 3.1Å
324L95.1Very high87.4Confident11 Ų1160.1 Ų60.16%0.05830%0.302CS..Hα-helixtrans-61.5-33176.6-61.2-168.3000111.6I74 H143 I320 V321 H328I74-L324 HydrophobicContact CD1-CD1 3.36Å; I74-L324 HydrophobicContact CG1-CD1 4.01Å; H143-L324 HydrophobicContact CB-CD2 3.94Å; H143-L324 VanDerWaalsContact CG-CD2 3.47Å; H143-L324 WeakPolarHBondContact ND1-CD2 3.42Å; I320-L324 HydrophobicContact CG2-CD1 4.01Å; I320-L324 HydrophobicContact CG2-CG 4.11Å; I320-L324 VanDerWaalsContact O-CG 3.26Å; I320-L324 WeakPolarHBondContact O-CG 3.31Å; I320-L324 PolarHBondContact O-N 3.33Å; V321-L324 PolarHBondContact O-N 3.01Å; L324-H328 PolarHBondContact O-N 3.3Å; L324-H328 PolarHBondContact O-ND1 2.86Å
325A93.9Very high85.6Confident47 Ų4759.5 Ų59.539%0.38830%0.304SS..Hα-helixtrans-69.2-40.3174.300000112.4V321 D322 F323 V327 H328 N329V321-A325 PolarHBondContact O-N 3.18Å; D322-A325 PolarHBondContact O-N 3.49Å; F323-A325 PolarHBondContact O-N 3.04Å; A325-V327 PolarHBondContact O-N 2.84Å; A325-H328 PolarHBondContact O-N 2.59Å; A325-N329 PolarHBondContact O-N 3.26Å; A325-N329 PolarHBondContact O-ND2 3.49Å
326S93.9Very high83.3Confident37 Ų3761.6 Ų61.626%0.25932%0.32SS..Hα-helixtrans-66.1-37.1179.975.90000112.7D322 F323 N329 T330D322-S326 PolarHBondContact O-N 2.96Å; D322-S326 VanDerWaalsContact O-N 3.09Å; F323-S326 PolarHBondContact O-N 3.05Å; F323-S326 VanDerWaalsContact O-N 3.1Å; F323-S326 PolarHBondContact O-OG 2.94Å; S326-N329 PolarHBondContact O-N 3.44Å; S326-T330 PolarHBondContact O-N 3.49Å; S326-T330 PolarHBondContact O-OG1 3.12Å
327V91.6Very high80.5Confident4 Ų471 Ų712%0.02437%0.37CS..Hα-helixtrans-63.2-48175.5174.80000111.1P269 F323 A325 N329 T330 D331P269-V327 HydrophobicContact CB-CG2 3.79Å; P269-V327 HydrophobicContact CG-CG1 4.33Å; P269-V327 HydrophobicContact CG-CG2 4.3Å; F323-V327 HydrophobicContact CD2-CG2 4.37Å; F323-V327 HydrophobicContact CE1-CG2 4.24Å; F323-V327 HydrophobicContact CE2-CG2 3.95Å; F323-V327 HydrophobicContact CZ-CG2 3.87Å; F323-V327 WeakPolarHBondContact O-CG2 3.44Å; F323-V327 PolarHBondContact O-N 3.26Å; F323-V327 VanDerWaalsContact O-N 3.1Å; A325-V327 PolarHBondContact O-N 2.84Å; V327-N329 VanDerWaalsContact C-N 3.34Å; V327-N329 PolarHBondContact O-N 3.07Å; V327-T330 PolarHBondContact O-N 2.68Å; V327-D331 PolarHBondContact O-N 3.19Å; V327-D331 VanDerWaalsContact O-N 3.13Å
328H81.8Confident79.6Confident55 Ų5574.5 Ų74.526%0.25539%0.388SS..Hα-helixtrans-61.3-39.7179-73.8123.1000113.7P72 H143 L324 A325 T330 D331 N332P72-H328 WeakPolarHBondContact CD-NE2 3.24Å; P72-H328 VanDerWaalsContact CG-NE2 3.27Å; P72-H328 WeakPolarHBondContact CG-NE2 3.38Å; H143-H328 AromaticContact CE1-CE1 3.92Å; H143-H328 AromaticContact NE2-CE1 3.36Å; H143-H328 PolarHBondContact NE2-CE1 3.03Å; H143-H328 AromaticContact NE2-NE2 3.71Å; L324-H328 PolarHBondContact O-N 3.3Å; L324-H328 PolarHBondContact O-ND1 2.86Å; A325-H328 PolarHBondContact O-N 2.59Å; H328-T330 VanDerWaalsContact C-N 3.3Å; H328-T330 PolarHBondContact O-N 3.26Å; H328-D331 PolarHBondContact O-N 3.3Å; H328-N332 PolarHBondContact O-N 3.42Å; H328-N332 VanDerWaalsContact O-N 3.11Å; H328-N332 PolarHBondContact O-ND2 3.2Å
329N79.6Confident78.6Confident99 Ų9972.4 Ų72.453%0.52938%0.382SS..Hα-helixtrans-66.3-36.8178.8-71-17000111.6A325 S326 V327 N332 N333A325-N329 PolarHBondContact O-N 3.26Å; A325-N329 PolarHBondContact O-ND2 3.49Å; S326-N329 PolarHBondContact O-N 3.44Å; V327-N329 VanDerWaalsContact C-N 3.34Å; V327-N329 PolarHBondContact O-N 3.07Å; N329-N332 PolarHBondContact O-N 2.91Å; N329-N333 PolarHBondContact O-N 3.48Å; N329-N333 VanDerWaalsContact O-N 3.12Å
330T72.4Confident77.5Confident71 Ų7176 Ų7644%0.43640%0.401SS..Hα-helixtrans-66-41.8177.5-52.50000111.6S326 V327 H328 N333 K334S326-T330 PolarHBondContact O-N 3.49Å; S326-T330 PolarHBondContact O-OG1 3.12Å; V327-T330 PolarHBondContact O-N 2.68Å; H328-T330 VanDerWaalsContact C-N 3.3Å; H328-T330 PolarHBondContact O-N 3.26Å; T330-N333 PolarHBondContact O-N 3.01Å; T330-K334 WeakPolarHBondContact O-CG 3.49Å; T330-K334 PolarHBondContact O-N 3.03Å; T330-K334 VanDerWaalsContact O-N 3.08Å
331D66.8Low76.3Confident62 Ų6280.4 Ų80.433%0.33242%0.424SS..Hα-helixtrans-67.1-38177.9-74.9-15.8000112.8V327 H328 K334 K335V327-D331 PolarHBondContact O-N 3.19Å; V327-D331 VanDerWaalsContact O-N 3.13Å; H328-D331 PolarHBondContact O-N 3.3Å; D331-K334 PolarHBondContact O-N 2.87Å; D331-K335 WeakPolarHBondContact O-CG 3.48Å; D331-K335 PolarHBondContact O-N 3.29Å
332N61.4Low74.9Confident90 Ų9082.5 Ų82.548%0.48143%0.433SS..Hα-helixtrans-65-42.1175.9-73.8-21.1000111.6H328 N329 K334 K335 L336H328-N332 PolarHBondContact O-N 3.42Å; H328-N332 VanDerWaalsContact O-N 3.11Å; H328-N332 PolarHBondContact O-ND2 3.2Å; N329-N332 PolarHBondContact O-N 2.91Å; N332-K334 VanDerWaalsContact C-N 3.33Å; N332-K334 PolarHBondContact O-N 3.38Å; N332-K335 PolarHBondContact O-N 3.09Å; N332-L336 WeakPolarHBondContact O-CD1 3.48Å; N332-L336 WeakPolarHBondContact O-CG 3.44Å; N332-L336 PolarHBondContact O-N 2.9Å
333N55.8Low73.4Confident102 Ų10282.9 Ų82.955%0.54544%0.435SS..Hα-helixtrans-66.4-33.8177.2-70.8-11000112.4N329 T330 K335 L336N329-N333 PolarHBondContact O-N 3.48Å; N329-N333 VanDerWaalsContact O-N 3.12Å; T330-N333 PolarHBondContact O-N 3.01Å; N333-K335 VanDerWaalsContact C-N 3.33Å; N333-L336 PolarHBondContact O-N 3.22Å
334K61.1Low71.6Confident149 Ų14988.4 Ų88.465%0.64846%0.464SS*.Hα-helixtrans-70.4-24.1173.7-75.6-177.8-179.41790114T330 D331 N332T330-K334 WeakPolarHBondContact O-CG 3.49Å; T330-K334 PolarHBondContact O-N 3.03Å; T330-K334 VanDerWaalsContact O-N 3.08Å; D331-K334 PolarHBondContact O-N 2.87Å; N332-K334 VanDerWaalsContact C-N 3.33Å; N332-K334 PolarHBondContact O-N 3.38Å
335K60.3Low69.8Low174 Ų17494.4 Ų94.476%0.75750%0.495SS*.Hα-helixtrans-85.5-15.7177.4-76.1177.3176.31760113.7D331 N332 N333D331-K335 WeakPolarHBondContact O-CG 3.48Å; D331-K335 PolarHBondContact O-N 3.29Å; N332-K335 PolarHBondContact O-N 3.09Å; N333-K335 VanDerWaalsContact C-N 3.33Å
336L49.6Very low67.8Low140 Ų14098.3 Ų98.373%0.73350%0.504SS*.Hα-helixtrans-94.5-10.6-178.8-77.6160.7000113.3N332 N333N332-L336 WeakPolarHBondContact O-CD1 3.48Å; N332-L336 WeakPolarHBondContact O-CG 3.44Å; N332-L336 PolarHBondContact O-N 2.9Å; N333-L336 PolarHBondContact O-N 3.22Å
337N39.9Very low65.5Low197 Ų197103.9 Ų103.9100%1.05353%0.527SS*.  trans-110.40177.2-68-22.5000110.6

Retrieved 337 of 337 residues in 142.5 ms (Link to these results)

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