A0A087Y0R5_POEFO Loading...

Phosphoglucomutase 2

AlphaFold DB , UniProt , Accession A0A087Y0R5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 612 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
1K47.3Very low70.5Confident209 Ų20989.6 Ų89.691%0.90950%0.501SS*.  0135.30-72.8-179.1174.6-1790106.7
2M55.7Low72.1Confident6 Ų691.7 Ų91.73%0.0352%0.517CS..  trans-67.2158.1169.4-47.5-160.2-138.700108.7D4 G5 L6 K7 I18 R19 V38M2-D4 PolarHBondContact O-N 2.77Å; M2-G5 PolarHBondContact O-N 2.88Å; M2-L6 HydrophobicContact CB-CB 4.12Å; M2-L6 HydrophobicContact CE-CB 3.79Å; M2-L6 HydrophobicContact CE-CD1 4.36Å; M2-L6 HydrophobicContact CG-CB 4.03Å; M2-L6 PolarHBondContact N-O 3.07Å; M2-L6 HydrophobicContact SD-CB 4.14Å; M2-L6 HydrophobicContact SD-CD1 4.34Å; M2-K7 VanDerWaalsContact CE-O 3.25Å; M2-K7 WeakPolarHBondContact CE-O 3.45Å; M2-I18 HydrophobicContact SD-CG2 4.37Å; M2-R19 HydrophobicContact CB-CG 4.16Å; M2-R19 HydrophobicContact CG-CG 4.2Å; M2-R19 VanDerWaalsContact CG-NE 3.34Å; M2-R19 HydrophobicContact SD-CG 3.7Å; M2-V38 HydrophobicContact CE-CG1 3.82Å; M2-V38 HydrophobicContact CE-CG2 4.46Å
3E52.4Low73.6Confident194 Ų19497.9 Ų97.991%0.90754%0.535SS*.THydrogen-bonded Turntrans-55.7-23.1-178.8-74.2177.7154.500112.8
4D57.5Low74.9Confident96 Ų9691.7 Ų91.751%0.51350%0.501SS..THydrogen-bonded Turntrans-90.713.7176.7-61.4-29.2000115.1M2 L6M2-D4 PolarHBondContact O-N 2.77Å; D4-L6 HydrophobicContact CB-CG 4.42Å; D4-L6 PolarHBondContact O-N 3.35Å
5G64.4Low76.1Confident57 Ų5786.4 Ų86.459%0.58847%0.472SS*.SBendtrans751.9-178.700000115.1M2M2-G5 PolarHBondContact O-N 2.88Å
6L74.2Confident77.1Confident11 Ų1189.3 Ų89.36%0.05848%0.481CS..PPolyproline II helixtrans-67.8142.4174.9-63.7170.5000111.9M2 D4 L22 Q35 V38 K39M2-L6 HydrophobicContact CB-CB 4.12Å; M2-L6 HydrophobicContact CE-CB 3.79Å; M2-L6 HydrophobicContact CE-CD1 4.36Å; M2-L6 HydrophobicContact CG-CB 4.03Å; M2-L6 PolarHBondContact N-O 3.07Å; M2-L6 HydrophobicContact SD-CB 4.14Å; M2-L6 HydrophobicContact SD-CD1 4.34Å; D4-L6 HydrophobicContact CB-CG 4.42Å; D4-L6 PolarHBondContact O-N 3.35Å; L6-L22 HydrophobicContact CD1-CD1 3.96Å; L6-Q35 HydrophobicContact CD1-CG 4.21Å; L6-Q35 HydrophobicContact CD2-CB 4.36Å; L6-Q35 HydrophobicContact CD2-CG 4.49Å; L6-V38 HydrophobicContact CB-CG1 3.95Å; L6-V38 HydrophobicContact CD1-CB 4.43Å; L6-V38 HydrophobicContact CD1-CG1 4.3Å; L6-V38 HydrophobicContact CD2-CB 4.21Å; L6-V38 HydrophobicContact CD2-CG1 4.01Å; L6-V38 HydrophobicContact CG-CG1 4.32Å; L6-K39 HydrophobicContact CD2-CG 4.34Å
7K79.2Confident78.1Confident172 Ų17285.5 Ų85.575%0.74847%0.465SS*.PPolyproline II helixtrans-73.4141172-71-177.1-179.3176.30109.6M2 V38M2-K7 VanDerWaalsContact CE-O 3.25Å; M2-K7 WeakPolarHBondContact CE-O 3.45Å; K7-V38 WeakPolarHBondContact O-CG1 3.46Å
8P83.3Confident79Confident72 Ų7280.8 Ų80.847%0.46844%0.439SS..PPolyproline II helixtrans-57144.9173-21.733.2000111.6G10 D15P8-G10 VanDerWaalsContact C-N 3.26Å; P8-D15 WeakPolarHBondContact CA-OD2 3.38Å; P8-D15 VanDerWaalsContact CB-OD2 3.29Å; P8-D15 WeakPolarHBondContact CB-OD2 3.46Å
9T85.6Confident79.8Confident29 Ų2981.9 Ų81.918%0.17844%0.437CS..  trans-75.7-16.7175.362.80000112.6D11 L14 D15 I18 M43 L46T9-D11 VanDerWaalsContact C-N 3.34Å; T9-D11 PolarHBondContact OG1-N 3.31Å; T9-D11 PolarHBondContact OG1-O 2.85Å; T9-L14 HydrophobicContact CG2-CD2 4.39Å; T9-D15 VanDerWaalsContact CB-OD1 3.26Å; T9-D15 WeakPolarHBondContact CB-OD1 3.48Å; T9-D15 VanDerWaalsContact CG2-OD1 3.27Å; T9-D15 WeakPolarHBondContact CG2-OD1 3.42Å; T9-D15 PolarHBondContact N-OD1 3.48Å; T9-D15 PolarHBondContact N-OD2 3.44Å; T9-D15 PolarHBondContact OG1-OD1 2.81Å; T9-I18 HydrophobicContact CG2-CD1 4.17Å; T9-M43 HydrophobicContact CG2-SD 4.21Å; T9-L46 HydrophobicContact CG2-CD1 3.87Å
10G85.6Confident80.5Confident73 Ų7382.4 Ų82.475%0.75344%0.436SS*.SBendtrans91.2-7.6-173.800000113.8P8P8-G10 VanDerWaalsContact C-N 3.26Å
11D89.9Confident81.3Confident67 Ų6778.7 Ų78.736%0.35842%0.416SS..  trans-107.9109.4168.8-179.3-25.2000109.5T9 K13 L14 D15T9-D11 VanDerWaalsContact C-N 3.34Å; T9-D11 PolarHBondContact OG1-N 3.31Å; T9-D11 PolarHBondContact OG1-O 2.85Å; D11-K13 VanDerWaalsContact C-N 3.29Å; D11-K13 PolarHBondContact O-N 3.16Å; D11-K13 WeakPolarHBondContact OD1-CB 3.09Å; D11-K13 PolarHBondContact OD1-N 3.46Å; D11-L14 HydrophobicContact CB-CB 3.85Å; D11-L14 PolarHBondContact O-N 3.44Å; D11-L14 PolarHBondContact OD1-N 3.4Å; D11-L14 VanDerWaalsContact OD1-N 3.17Å; D11-D15 WeakPolarHBondContact O-CB 3.02Å; D11-D15 PolarHBondContact O-N 3.39Å
12T90.5Very high83.6Confident114 Ų11469 Ų6970%0.69937%0.374SS*.Hα-helixtrans-61.1-35.2-176.2-51.20000113Q16T12-Q16 WeakPolarHBondContact O-CB 3.5Å; T12-Q16 PolarHBondContact O-N 3.29Å; T12-Q16 VanDerWaalsContact O-N 3.09Å
13K91Very high85.5Confident173 Ų17375.4 Ų75.475%0.75240%0.404SS*.Hα-helixtrans-70.6-45179.8-70.4-175.7178.3-178.80110.2D11 Q16 A17D11-K13 VanDerWaalsContact C-N 3.29Å; D11-K13 PolarHBondContact O-N 3.16Å; D11-K13 WeakPolarHBondContact OD1-CB 3.09Å; D11-K13 PolarHBondContact OD1-N 3.46Å; K13-Q16 PolarHBondContact O-N 3.02Å; K13-A17 PolarHBondContact O-N 3.36Å
14L92.6Very high87.6Confident11 Ų1168 Ų686%0.05837%0.368CS..Hα-helixtrans-62.4-44.9176.6-178.658.7000111.4T9 D11 Q16 A17 I18 M43 L46 K47 F50T9-L14 HydrophobicContact CG2-CD2 4.39Å; D11-L14 HydrophobicContact CB-CB 3.85Å; D11-L14 PolarHBondContact O-N 3.44Å; D11-L14 PolarHBondContact OD1-N 3.4Å; D11-L14 VanDerWaalsContact OD1-N 3.17Å; L14-Q16 VanDerWaalsContact C-N 3.3Å; L14-Q16 PolarHBondContact O-N 3.09Å; L14-A17 PolarHBondContact O-N 2.9Å; L14-I18 HydrophobicContact CD1-CD1 3.97Å; L14-I18 HydrophobicContact CD1-CG1 4.25Å; L14-I18 HydrophobicContact CG-CD1 3.82Å; L14-I18 VanDerWaalsContact O-CG1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.06Å; L14-I18 PolarHBondContact O-N 3.4Å; L14-M43 HydrophobicContact CD2-CE 3.78Å; L14-L46 HydrophobicContact CD1-CB 4.48Å; L14-L46 HydrophobicContact CD2-CB 4.12Å; L14-K47 HydrophobicContact CD2-CG 4.41Å; L14-F50 HydrophobicContact CD1-CB 3.5Å; L14-F50 VanDerWaalsContact CD1-CB 3.5Å; L14-F50 HydrophobicContact CD1-CG 4.23Å
15D92.5Very high89.5Confident12 Ų1263.4 Ų63.46%0.06434%0.343CS..Hα-helixtrans-59.7-39.9177.2-77.4-17.6000112.2P8 T9 D11 R19P8-D15 WeakPolarHBondContact CA-OD2 3.38Å; P8-D15 VanDerWaalsContact CB-OD2 3.29Å; P8-D15 WeakPolarHBondContact CB-OD2 3.46Å; T9-D15 VanDerWaalsContact CB-OD1 3.26Å; T9-D15 WeakPolarHBondContact CB-OD1 3.48Å; T9-D15 VanDerWaalsContact CG2-OD1 3.27Å; T9-D15 WeakPolarHBondContact CG2-OD1 3.42Å; T9-D15 PolarHBondContact N-OD1 3.48Å; T9-D15 PolarHBondContact N-OD2 3.44Å; T9-D15 PolarHBondContact OG1-OD1 2.81Å; D11-D15 WeakPolarHBondContact O-CB 3.02Å; D11-D15 PolarHBondContact O-N 3.39Å; D15-R19 VanDerWaalsContact O-CG 3.29Å; D15-R19 WeakPolarHBondContact O-CG 3.34Å; D15-R19 PolarHBondContact O-N 3.03Å; D15-R19 VanDerWaalsContact O-N 3.07Å
16Q92.3Very high91Very high133 Ų13367.9 Ų67.962%0.62134%0.343SS*.Hα-helixtrans-66.4-45.9176.6-176.5177.3-100111.6T12 K13 L14 I18 R19 Q20T12-Q16 WeakPolarHBondContact O-CB 3.5Å; T12-Q16 PolarHBondContact O-N 3.29Å; T12-Q16 VanDerWaalsContact O-N 3.09Å; K13-Q16 PolarHBondContact O-N 3.02Å; L14-Q16 VanDerWaalsContact C-N 3.3Å; L14-Q16 PolarHBondContact O-N 3.09Å; Q16-I18 VanDerWaalsContact C-N 3.35Å; Q16-I18 PolarHBondContact O-N 3.11Å; Q16-R19 PolarHBondContact O-N 3.13Å; Q16-Q20 WeakPolarHBondContact O-CB 3.5Å; Q16-Q20 PolarHBondContact O-N 2.92Å
17A93.1Very high92Very high25 Ų2567.7 Ų67.721%0.20734%0.342CS..Hα-helixtrans-60.8-43.2178.200000111.9K13 L14 W21 F50K13-A17 PolarHBondContact O-N 3.36Å; L14-A17 PolarHBondContact O-N 2.9Å; A17-W21 VanDerWaalsContact O-CB 3.27Å; A17-W21 WeakPolarHBondContact O-CB 3.43Å; A17-W21 PolarHBondContact O-N 3.25Å; A17-F50 HydrophobicContact CB-CD1 4.23Å
18I95.5Very high92.8Very high0 Ų064.3 Ų64.30%034%0.337CS..Hα-helixtrans-61.6-49.1176.7-71.4166.7000110.8M2 T9 L14 Q16 W21 L22 V34 V38 L46 F50M2-I18 HydrophobicContact SD-CG2 4.37Å; T9-I18 HydrophobicContact CG2-CD1 4.17Å; L14-I18 HydrophobicContact CD1-CD1 3.97Å; L14-I18 HydrophobicContact CD1-CG1 4.25Å; L14-I18 HydrophobicContact CG-CD1 3.82Å; L14-I18 VanDerWaalsContact O-CG1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.06Å; L14-I18 PolarHBondContact O-N 3.4Å; Q16-I18 VanDerWaalsContact C-N 3.35Å; Q16-I18 PolarHBondContact O-N 3.11Å; I18-W21 PolarHBondContact O-N 3.09Å; I18-L22 HydrophobicContact CG2-CD1 3.73Å; I18-L22 HydrophobicContact CG2-CG 4.31Å; I18-L22 WeakPolarHBondContact O-CB 3.38Å; I18-L22 WeakPolarHBondContact O-CG 3.49Å; I18-L22 PolarHBondContact O-N 2.97Å; I18-V34 HydrophobicContact CG2-CG1 3.83Å; I18-V38 HydrophobicContact CD1-CG2 4.2Å; I18-V38 HydrophobicContact CG2-CG2 4.49Å; I18-L46 HydrophobicContact CD1-CD1 4.34Å; I18-L46 HydrophobicContact CD1-CD2 3.97Å; I18-F50 HydrophobicContact CG1-CD1 4.29Å; I18-F50 HydrophobicContact CG1-CD2 3.89Å; I18-F50 HydrophobicContact CG1-CE1 4.28Å; I18-F50 HydrophobicContact CG1-CE2 3.9Å; I18-F50 HydrophobicContact CG1-CG 4.1Å; I18-F50 HydrophobicContact CG1-CZ 4.09Å
19R93.4Very high93.5Very high103 Ų10365.8 Ų65.839%0.38934%0.336SS..Hα-helixtrans-60.9-48.1-179.6-74.3179.3-156.6178.710112.1M2 D15 Q16 W21 L22 Q23M2-R19 HydrophobicContact CB-CG 4.16Å; M2-R19 HydrophobicContact CG-CG 4.2Å; M2-R19 VanDerWaalsContact CG-NE 3.34Å; M2-R19 HydrophobicContact SD-CG 3.7Å; D15-R19 VanDerWaalsContact O-CG 3.29Å; D15-R19 WeakPolarHBondContact O-CG 3.34Å; D15-R19 PolarHBondContact O-N 3.03Å; D15-R19 VanDerWaalsContact O-N 3.07Å; Q16-R19 PolarHBondContact O-N 3.13Å; R19-W21 VanDerWaalsContact C-N 3.31Å; R19-W21 PolarHBondContact O-N 3.37Å; R19-L22 PolarHBondContact O-N 2.65Å; R19-Q23 WeakPolarHBondContact O-CB 3.31Å; R19-Q23 PolarHBondContact O-N 3.04Å
20Q94.3Very high94.1Very high90 Ų9064.4 Ų64.442%0.42133%0.328SS..Hα-helixtrans-60.9-43.4179.1-174.4179.23300111.1Q16 Q23 Y24Q16-Q20 WeakPolarHBondContact O-CB 3.5Å; Q16-Q20 PolarHBondContact O-N 2.92Å; Q20-Q23 WeakPolarHBondContact O-CB 3.28Å; Q20-Q23 PolarHBondContact O-N 3.26Å; Q20-Y24 HydrophobicContact CG-CD2 4.1Å; Q20-Y24 HydrophobicContact CG-CE2 3.66Å; Q20-Y24 PolarHBondContact O-N 3.38Å
21W96.6Very high94.6Very high6 Ų663.6 Ų63.62%0.02330%0.304CS..Hα-helixtrans-66-41.5178.3-174.994.9000112.2A17 I18 R19 Q23 Y24 D25 V34 F50 P67 G68 L75A17-W21 VanDerWaalsContact O-CB 3.27Å; A17-W21 WeakPolarHBondContact O-CB 3.43Å; A17-W21 PolarHBondContact O-N 3.25Å; I18-W21 PolarHBondContact O-N 3.09Å; R19-W21 VanDerWaalsContact C-N 3.31Å; R19-W21 PolarHBondContact O-N 3.37Å; W21-Q23 VanDerWaalsContact C-N 3.27Å; W21-Q23 PolarHBondContact O-N 3.41Å; W21-Y24 PolarHBondContact O-N 3.32Å; W21-D25 HydrophobicContact CD2-CB 4.25Å; W21-D25 HydrophobicContact CE3-CB 4.21Å; W21-D25 HydrophobicContact CH2-CB 3.84Å; W21-D25 WeakPolarHBondContact CH2-OD2 3.4Å; W21-D25 HydrophobicContact CZ2-CB 3.91Å; W21-D25 WeakPolarHBondContact CZ2-OD2 3.42Å; W21-D25 HydrophobicContact CZ3-CB 4.01Å; W21-D25 WeakPolarHBondContact O-CB 3.18Å; W21-D25 PolarHBondContact O-N 3.43Å; W21-V34 HydrophobicContact CE3-CG2 4.08Å; W21-V34 HydrophobicContact CH2-CG2 4.07Å; W21-V34 HydrophobicContact CZ3-CB 4.27Å; W21-V34 HydrophobicContact CZ3-CG2 3.55Å; W21-F50 HydrophobicContact CB-CE1 3.58Å; W21-F50 HydrophobicContact CB-CZ 4.27Å; W21-F50 HydrophobicContact CD2-CE1 4.02Å; W21-F50 AromaticContact CD2-CZ 3.97Å; W21-F50 HydrophobicContact CD2-CZ 3.97Å; W21-F50 HydrophobicContact CE3-CE1 4.43Å; W21-F50 HydrophobicContact CE3-CZ 4.01Å; W21-F50 AromaticContact CG-CE1 3.62Å; W21-F50 HydrophobicContact CG-CE1 3.62Å; W21-F50 HydrophobicContact CG-CZ 4.08Å; W21-P67 HydrophobicContact CH2-CB 4.03Å; W21-P67 HydrophobicContact CZ2-CB 4.28Å; W21-G68 VanDerWaalsContact CZ2-N 3.34Å; W21-G68 PolarHBondContact NE1-O 3.19Å; W21-L75 HydrophobicContact CG-CD2 4.17Å
22L96.3Very high94.9Very high6 Ų662.8 Ų62.83%0.03130%0.303CS..Hα-helixtrans-64.5-30.8175.2-74.7173.2000112.8L6 I18 R19 K31 V34L6-L22 HydrophobicContact CD1-CD1 3.96Å; I18-L22 HydrophobicContact CG2-CD1 3.73Å; I18-L22 HydrophobicContact CG2-CG 4.31Å; I18-L22 WeakPolarHBondContact O-CB 3.38Å; I18-L22 WeakPolarHBondContact O-CG 3.49Å; I18-L22 PolarHBondContact O-N 2.97Å; R19-L22 PolarHBondContact O-N 2.65Å; L22-K31 HydrophobicContact CD2-CB 4.31Å; L22-K31 HydrophobicContact CD2-CG 4.01Å; L22-K31 WeakPolarHBondContact O-CE 3.24Å; L22-K31 PolarHBondContact O-NZ 3.1Å; L22-V34 HydrophobicContact CD1-CG1 4.4Å; L22-V34 HydrophobicContact CD2-CB 4.29Å; L22-V34 HydrophobicContact CD2-CG1 4.28Å; L22-V34 HydrophobicContact CG-CG1 4.41Å
23Q95.3Very high95.2Very high140 Ų14059.7 Ų59.765%0.65428%0.282SS*.Hα-helixtrans-65.8-41173-176.1-175.23.100111.7R19 Q20 W21R19-Q23 WeakPolarHBondContact O-CB 3.31Å; R19-Q23 PolarHBondContact O-N 3.04Å; Q20-Q23 WeakPolarHBondContact O-CB 3.28Å; Q20-Q23 PolarHBondContact O-N 3.26Å; W21-Q23 VanDerWaalsContact C-N 3.27Å; W21-Q23 PolarHBondContact O-N 3.41Å
24Y96.8Very high95.4Very high37 Ų3751.4 Ų51.415%0.14525%0.246CC..Hα-helixtrans-88.6-37-174.6-66.8-23.7000114.8Q20 W21 E200 P201 W206Q20-Y24 HydrophobicContact CG-CD2 4.1Å; Q20-Y24 HydrophobicContact CG-CE2 3.66Å; Q20-Y24 PolarHBondContact O-N 3.38Å; W21-Y24 PolarHBondContact O-N 3.32Å; Y24-E200 HydrophobicContact CE1-CB 4.37Å; Y24-E200 HydrophobicContact CE1-CG 3.84Å; Y24-P201 HydrophobicContact CG-CG 4.33Å; Y24-W206 VanDerWaalsContact O-CZ2 3.25Å; Y24-W206 WeakPolarHBondContact O-CZ2 3.44Å
25D96.6Very high95.5Very high0 Ų053.5 Ų53.50%026%0.256CS..  trans-65146.2-179.8-17230.7000110W21 N27 T30 K31 L75 W206W21-D25 HydrophobicContact CD2-CB 4.25Å; W21-D25 HydrophobicContact CE3-CB 4.21Å; W21-D25 HydrophobicContact CH2-CB 3.84Å; W21-D25 WeakPolarHBondContact CH2-OD2 3.4Å; W21-D25 HydrophobicContact CZ2-CB 3.91Å; W21-D25 WeakPolarHBondContact CZ2-OD2 3.42Å; W21-D25 HydrophobicContact CZ3-CB 4.01Å; W21-D25 WeakPolarHBondContact O-CB 3.18Å; W21-D25 PolarHBondContact O-N 3.43Å; D25-N27 PolarHBondContact OD1-N 3.16Å; D25-T30 PolarHBondContact OD2-OG1 3.33Å; D25-K31 HydrophobicContact CB-CG 4.46Å; D25-K31 WeakPolarHBondContact O-CE 3.41Å; D25-K31 PolarHBondContact O-NZ 2.95Å; D25-L75 HydrophobicContact CB-CB 4.48Å; D25-L75 HydrophobicContact CB-CD2 4.21Å; D25-W206 WeakPolarHBondContact OD1-CH2 3.19Å
26R95.8Very high95.7Very high151 Ų15155.6 Ų55.657%0.5727%0.267SS*.  trans-1241.3174.2-61-171-176.6175.72.1112.7P28 W206R26-P28 WeakPolarHBondContact O-CD 3.31Å; R26-W206 HydrophobicContact CB-CD2 3.9Å; R26-W206 HydrophobicContact CB-CE3 3.76Å; R26-W206 HydrophobicContact CB-CH2 4.03Å; R26-W206 HydrophobicContact CB-CZ2 4.14Å; R26-W206 HydrophobicContact CB-CZ3 3.82Å; R26-W206 HydrophobicContact CG-CD2 3.9Å; R26-W206 HydrophobicContact CG-CE3 4.29Å; R26-W206 HydrophobicContact CG-CG 4.33Å; R26-W206 HydrophobicContact CG-CH2 4.46Å; R26-W206 HydrophobicContact CG-CZ2 4.06Å
27N96.3Very high95.8Very high8 Ų851.1 Ų51.14%0.04325%0.247CC..  trans-81.4116.5177.3178.8-26.2000110.5D25 K29 T30 K31 D74 S112D25-N27 PolarHBondContact OD1-N 3.16Å; N27-K29 VanDerWaalsContact C-N 3.26Å; N27-K29 PolarHBondContact O-N 3.18Å; N27-K29 WeakPolarHBondContact OD1-CB 3.17Å; N27-K29 PolarHBondContact OD1-N 3.28Å; N27-T30 VanDerWaalsContact CB-OG1 3.25Å; N27-T30 WeakPolarHBondContact CB-OG1 3.4Å; N27-T30 PolarHBondContact O-N 2.81Å; N27-T30 PolarHBondContact O-OG1 3.32Å; N27-T30 PolarHBondContact OD1-N 3Å; N27-K31 WeakPolarHBondContact O-CB 3.46Å; N27-K31 WeakPolarHBondContact O-CG 3.28Å; N27-K31 PolarHBondContact O-N 3.13Å; N27-D74 VanDerWaalsContact CB-OD2 3.31Å; N27-D74 WeakPolarHBondContact CB-OD2 3.33Å; N27-D74 PolarHBondContact ND2-OD2 3.12Å; N27-S112 PolarHBondContact ND2-O 2.98Å
28P96.4Very high95.8Very high100 Ų10050.6 Ų50.665%0.64924%0.241SC*.Hα-helixtrans-65.3-28.8-175.325.8-34.2000113R26 S32R26-P28 WeakPolarHBondContact O-CD 3.31Å; P28-S32 WeakPolarHBondContact O-CB 3.33Å; P28-S32 PolarHBondContact O-N 3.36Å
29K97.4Very high95.7Very high103 Ų10357 Ų5745%0.44827%0.269SS..Hα-helixtrans-70.5-50.8180-69.9-177.2170-174.20111.1N27 K31 S32 L33 P110N27-K29 VanDerWaalsContact C-N 3.26Å; N27-K29 PolarHBondContact O-N 3.18Å; N27-K29 WeakPolarHBondContact OD1-CB 3.17Å; N27-K29 PolarHBondContact OD1-N 3.28Å; K29-K31 VanDerWaalsContact C-N 3.32Å; K29-K31 PolarHBondContact O-N 2.84Å; K29-S32 PolarHBondContact O-N 3.3Å; K29-L33 WeakPolarHBondContact O-CG 3.47Å; K29-L33 PolarHBondContact O-N 2.73Å; K29-P110 PolarHBondContact NZ-O 3.13Å
30T97.1Very high95.7Very high1 Ų158.1 Ų58.11%0.00628%0.282CS..Hα-helixtrans-66.4-35.6178.946.70000111.6D25 N27 L33 V34D25-T30 PolarHBondContact OD2-OG1 3.33Å; N27-T30 VanDerWaalsContact CB-OG1 3.25Å; N27-T30 WeakPolarHBondContact CB-OG1 3.4Å; N27-T30 PolarHBondContact O-N 2.81Å; N27-T30 PolarHBondContact O-OG1 3.32Å; N27-T30 PolarHBondContact OD1-N 3Å; T30-L33 PolarHBondContact O-N 3.23Å; T30-V34 WeakPolarHBondContact O-CG2 3.37Å; T30-V34 PolarHBondContact O-N 2.82Å
31K96.6Very high95.6Very high56 Ų5656.1 Ų56.124%0.24329%0.286CS..Hα-helixtrans-58.1-50.3168.8-77.5-169.6162.7179.90113.1L22 D25 N27 K29 L33 V34 Q35L22-K31 HydrophobicContact CD2-CB 4.31Å; L22-K31 HydrophobicContact CD2-CG 4.01Å; L22-K31 WeakPolarHBondContact O-CE 3.24Å; L22-K31 PolarHBondContact O-NZ 3.1Å; D25-K31 HydrophobicContact CB-CG 4.46Å; D25-K31 WeakPolarHBondContact O-CE 3.41Å; D25-K31 PolarHBondContact O-NZ 2.95Å; N27-K31 WeakPolarHBondContact O-CB 3.46Å; N27-K31 WeakPolarHBondContact O-CG 3.28Å; N27-K31 PolarHBondContact O-N 3.13Å; K29-K31 VanDerWaalsContact C-N 3.32Å; K29-K31 PolarHBondContact O-N 2.84Å; K31-L33 VanDerWaalsContact C-N 3.31Å; K31-L33 PolarHBondContact O-N 3.01Å; K31-V34 PolarHBondContact O-N 3.09Å; K31-Q35 VanDerWaalsContact O-CG 3.3Å; K31-Q35 WeakPolarHBondContact O-CG 3.42Å; K31-Q35 PolarHBondContact O-N 3.1Å
32S96.3Very high95.5Very high50 Ų5058 Ų5835%0.3530%0.3SS..Hα-helixtrans-58.5-45.2178.6-165.90000111P28 K29 V34 Q35 D36P28-S32 WeakPolarHBondContact O-CB 3.33Å; P28-S32 PolarHBondContact O-N 3.36Å; K29-S32 PolarHBondContact O-N 3.3Å; S32-V34 VanDerWaalsContact C-N 3.32Å; S32-V34 PolarHBondContact O-N 3.2Å; S32-Q35 PolarHBondContact O-N 3.11Å; S32-Q35 VanDerWaalsContact O-N 3.14Å; S32-D36 WeakPolarHBondContact O-CB 3.37Å; S32-D36 PolarHBondContact O-N 2.95Å; S32-D36 VanDerWaalsContact O-OD2 3.11Å; S32-D36 PolarHBondContact OG-OD2 3.34Å; S32-D36 VanDerWaalsContact OG-OD2 3.12Å
33L96.4Very high95.4Very high48 Ų4860.3 Ų60.325%0.25131%0.311SS..Hα-helixtrans-55.6-45178.1-70.3172.3000112.1K29 T30 K31 M37 P67 T111K29-L33 WeakPolarHBondContact O-CG 3.47Å; K29-L33 PolarHBondContact O-N 2.73Å; T30-L33 PolarHBondContact O-N 3.23Å; K31-L33 VanDerWaalsContact C-N 3.31Å; K31-L33 PolarHBondContact O-N 3.01Å; L33-M37 WeakPolarHBondContact O-CB 3.34Å; L33-M37 WeakPolarHBondContact O-CG 3.48Å; L33-M37 PolarHBondContact O-N 3.05Å; L33-P67 HydrophobicContact CB-CG 4.07Å; L33-P67 HydrophobicContact CD1-CG 4.45Å; L33-T111 HydrophobicContact CD2-CG2 4.43Å
34V96.6Very high95.3Very high0 Ų059.9 Ų59.90%031%0.309CS..Hα-helixtrans-67-45.2177176.90000111.4I18 W21 L22 T30 K31 S32 D36 M37 V38 L46 F50 P67I18-V34 HydrophobicContact CG2-CG1 3.83Å; W21-V34 HydrophobicContact CE3-CG2 4.08Å; W21-V34 HydrophobicContact CH2-CG2 4.07Å; W21-V34 HydrophobicContact CZ3-CB 4.27Å; W21-V34 HydrophobicContact CZ3-CG2 3.55Å; L22-V34 HydrophobicContact CD1-CG1 4.4Å; L22-V34 HydrophobicContact CD2-CB 4.29Å; L22-V34 HydrophobicContact CD2-CG1 4.28Å; L22-V34 HydrophobicContact CG-CG1 4.41Å; T30-V34 WeakPolarHBondContact O-CG2 3.37Å; T30-V34 PolarHBondContact O-N 2.82Å; K31-V34 PolarHBondContact O-N 3.09Å; S32-V34 VanDerWaalsContact C-N 3.32Å; S32-V34 PolarHBondContact O-N 3.2Å; V34-D36 VanDerWaalsContact C-N 3.29Å; V34-D36 PolarHBondContact O-N 3Å; V34-M37 PolarHBondContact O-N 3.22Å; V34-V38 WeakPolarHBondContact O-CG2 3.28Å; V34-V38 PolarHBondContact O-N 3.48Å; V34-L46 HydrophobicContact CG1-CD2 4.49Å; V34-F50 HydrophobicContact CG1-CE2 4.08Å; V34-F50 HydrophobicContact CG1-CZ 4.15Å; V34-F50 HydrophobicContact CG2-CE2 3.96Å; V34-F50 HydrophobicContact CG2-CZ 3.94Å; V34-P67 HydrophobicContact CG2-CB 3.42Å; V34-P67 VanDerWaalsContact CG2-CB 3.42Å; V34-P67 HydrophobicContact CG2-CG 4.1Å
35Q94.8Very high95.1Very high55 Ų5559.9 Ų59.926%0.25732%0.317SS..Hα-helixtrans-60.3-40.8180-72.4173.6-17.300111.7L6 K31 S32 V38 K39L6-Q35 HydrophobicContact CD1-CG 4.21Å; L6-Q35 HydrophobicContact CD2-CB 4.36Å; L6-Q35 HydrophobicContact CD2-CG 4.49Å; K31-Q35 VanDerWaalsContact O-CG 3.3Å; K31-Q35 WeakPolarHBondContact O-CG 3.42Å; K31-Q35 PolarHBondContact O-N 3.1Å; S32-Q35 PolarHBondContact O-N 3.11Å; S32-Q35 VanDerWaalsContact O-N 3.14Å; Q35-V38 PolarHBondContact O-N 2.91Å; Q35-K39 VanDerWaalsContact O-CG 3.3Å; Q35-K39 WeakPolarHBondContact O-CG 3.33Å; Q35-K39 PolarHBondContact O-N 2.86Å
36D95.1Very high95.1Very high56 Ų5659.9 Ų59.930%0.29932%0.317SS..Hα-helixtrans-71-42.8179.1-62.7-27.5000111S32 V34 V38 K39 D40S32-D36 WeakPolarHBondContact O-CB 3.37Å; S32-D36 PolarHBondContact O-N 2.95Å; S32-D36 VanDerWaalsContact O-OD2 3.11Å; S32-D36 PolarHBondContact OG-OD2 3.34Å; S32-D36 VanDerWaalsContact OG-OD2 3.12Å; V34-D36 VanDerWaalsContact C-N 3.29Å; V34-D36 PolarHBondContact O-N 3Å; D36-V38 VanDerWaalsContact C-N 3.25Å; D36-V38 PolarHBondContact O-N 3.2Å; D36-K39 PolarHBondContact O-N 3.3Å; D36-K39 VanDerWaalsContact O-N 3.1Å; D36-K39 IonicContact OD1-NZ 2.88Å; D36-K39 PolarHBondContact OD1-NZ 2.72Å; D36-D40 WeakPolarHBondContact O-CB 3.3Å; D36-D40 VanDerWaalsContact O-CG 3.27Å; D36-D40 PolarHBondContact O-N 3.11Å
37M95.5Very high95Very high39 Ų3956.4 Ų56.419%0.19231%0.306CS..Hα-helixtrans-56.4-38.2171.9-72.6175.7-163.300112.8L33 V34 G41 S42 A45 L46 P67L33-M37 WeakPolarHBondContact O-CB 3.34Å; L33-M37 WeakPolarHBondContact O-CG 3.48Å; L33-M37 PolarHBondContact O-N 3.05Å; V34-M37 PolarHBondContact O-N 3.22Å; M37-G41 PolarHBondContact O-N 3.25Å; M37-S42 PolarHBondContact O-N 2.94Å; M37-A45 HydrophobicContact CG-CB 4.45Å; M37-A45 HydrophobicContact SD-CB 4.01Å; M37-L46 HydrophobicContact CB-CD2 3.66Å; M37-L46 HydrophobicContact CB-CG 3.97Å; M37-L46 HydrophobicContact SD-CD2 4.28Å; M37-P67 HydrophobicContact CE-CG 4.16Å
38V93.6Very high94.8Very high14 Ų1464 Ų649%0.08534%0.339CS..Hα-helixtrans-70.1-42.3176173.80000111.7M2 L6 K7 I18 V34 Q35 D36 D40 G41 L46M2-V38 HydrophobicContact CE-CG1 3.82Å; M2-V38 HydrophobicContact CE-CG2 4.46Å; L6-V38 HydrophobicContact CB-CG1 3.95Å; L6-V38 HydrophobicContact CD1-CB 4.43Å; L6-V38 HydrophobicContact CD1-CG1 4.3Å; L6-V38 HydrophobicContact CD2-CB 4.21Å; L6-V38 HydrophobicContact CD2-CG1 4.01Å; L6-V38 HydrophobicContact CG-CG1 4.32Å; K7-V38 WeakPolarHBondContact O-CG1 3.46Å; I18-V38 HydrophobicContact CD1-CG2 4.2Å; I18-V38 HydrophobicContact CG2-CG2 4.49Å; V34-V38 WeakPolarHBondContact O-CG2 3.28Å; V34-V38 PolarHBondContact O-N 3.48Å; Q35-V38 PolarHBondContact O-N 2.91Å; D36-V38 VanDerWaalsContact C-N 3.25Å; D36-V38 PolarHBondContact O-N 3.2Å; V38-D40 VanDerWaalsContact C-N 3.31Å; V38-D40 PolarHBondContact O-N 3.06Å; V38-G41 PolarHBondContact O-N 2.95Å; V38-L46 HydrophobicContact CG2-CD1 3.96Å; V38-L46 HydrophobicContact CG2-CD2 4Å
39K92.6Very high94.7Very high134 Ų13459.8 Ų59.858%0.58331%0.311SS*.Hα-helixtrans-62.5-40.4176.8-71.2169.3-158.6156.10111.8L6 Q35 D36 G41L6-K39 HydrophobicContact CD2-CG 4.34Å; Q35-K39 VanDerWaalsContact O-CG 3.3Å; Q35-K39 WeakPolarHBondContact O-CG 3.33Å; Q35-K39 PolarHBondContact O-N 2.86Å; D36-K39 PolarHBondContact O-N 3.3Å; D36-K39 VanDerWaalsContact O-N 3.1Å; D36-K39 IonicContact OD1-NZ 2.88Å; D36-K39 PolarHBondContact OD1-NZ 2.72Å; K39-G41 VanDerWaalsContact C-N 3.25Å; K39-G41 PolarHBondContact O-N 2.86Å
40D93.9Very high94.7Very high126 Ų12655.2 Ų55.267%0.67429%0.292SS*.THydrogen-bonded Turntrans-79.9-6.3-177.6-65-14.4000112.9D36 V38 S42D36-D40 WeakPolarHBondContact O-CB 3.3Å; D36-D40 VanDerWaalsContact O-CG 3.27Å; D36-D40 PolarHBondContact O-N 3.11Å; V38-D40 VanDerWaalsContact C-N 3.31Å; V38-D40 PolarHBondContact O-N 3.06Å; D40-S42 VanDerWaalsContact C-N 3.29Å; D40-S42 PolarHBondContact O-N 2.86Å
41G92.2Very high94.2Very high48 Ų4859.1 Ų59.150%0.49532%0.319SS..THydrogen-bonded Turntrans66.130.2-176.700000113.3M37 V38 K39 M43M37-G41 PolarHBondContact O-N 3.25Å; V38-G41 PolarHBondContact O-N 2.95Å; K39-G41 VanDerWaalsContact C-N 3.25Å; K39-G41 PolarHBondContact O-N 2.86Å; G41-M43 PolarHBondContact O-N 2.85Å
42S94.3Very high93.8Very high45 Ų4560.4 Ų60.432%0.31534%0.335SS..  trans-76.164.9-175.3-68.10000112.7M37 D40 E44 A45 L46M37-S42 PolarHBondContact O-N 2.94Å; D40-S42 VanDerWaalsContact C-N 3.29Å; D40-S42 PolarHBondContact O-N 2.86Å; S42-E44 PolarHBondContact O-N 3.04Å; S42-A45 PolarHBondContact O-N 3.49Å; S42-L46 WeakPolarHBondContact O-CG 3.44Å; S42-L46 PolarHBondContact O-N 3.37Å
43M93.6Very high93.5Very high55 Ų5561.5 Ų61.527%0.27133%0.331SS..Hα-helixtrans-56.8-42.3-170.8-69.9-56-62.700114.4T9 L14 G41 L46 K47T9-M43 HydrophobicContact CG2-SD 4.21Å; L14-M43 HydrophobicContact CD2-CE 3.78Å; G41-M43 PolarHBondContact O-N 2.85Å; M43-L46 PolarHBondContact O-N 3.16Å; M43-K47 WeakPolarHBondContact O-CB 3.48Å; M43-K47 WeakPolarHBondContact O-CG 3.08Å; M43-K47 PolarHBondContact O-N 2.84Å
44E93.1Very high93.2Very high131 Ų13160.8 Ų60.861%0.61233%0.327SS*.Hα-helixtrans-69.8-35.7-178.8-65.2-54.711900112.2S42 K47 K48S42-E44 PolarHBondContact O-N 3.04Å; E44-K47 IonicContact OE1-NZ 3.84Å; E44-K47 PolarHBondContact OE1-NZ 3.01Å; E44-K48 WeakPolarHBondContact O-CB 3.44Å; E44-K48 PolarHBondContact O-N 3.36Å
45A93.8Very high92.8Very high38 Ų3868.8 Ų68.831%0.31436%0.364SS..Hα-helixtrans-67.1-42.9174.200000111.4M37 S42 K48 C49M37-A45 HydrophobicContact CG-CB 4.45Å; M37-A45 HydrophobicContact SD-CB 4.01Å; S42-A45 PolarHBondContact O-N 3.49Å; A45-K48 WeakPolarHBondContact O-CB 3.36Å; A45-K48 PolarHBondContact O-N 2.9Å; A45-C49 PolarHBondContact O-N 2.98Å; A45-C49 VanDerWaalsContact O-N 3.12Å; A45-C49 PolarHBondContact O-SG 3.11Å
46L95.3Very high92.6Very high0 Ų066.6 Ų66.60%035%0.354CS..Hα-helixtrans-61.9-47.4175.9-70.6170.7000111.5T9 L14 I18 V34 M37 V38 S42 M43 K48 C49 F50T9-L46 HydrophobicContact CG2-CD1 3.87Å; L14-L46 HydrophobicContact CD1-CB 4.48Å; L14-L46 HydrophobicContact CD2-CB 4.12Å; I18-L46 HydrophobicContact CD1-CD1 4.34Å; I18-L46 HydrophobicContact CD1-CD2 3.97Å; V34-L46 HydrophobicContact CG1-CD2 4.49Å; M37-L46 HydrophobicContact CB-CD2 3.66Å; M37-L46 HydrophobicContact CB-CG 3.97Å; M37-L46 HydrophobicContact SD-CD2 4.28Å; V38-L46 HydrophobicContact CG2-CD1 3.96Å; V38-L46 HydrophobicContact CG2-CD2 4Å; S42-L46 WeakPolarHBondContact O-CG 3.44Å; S42-L46 PolarHBondContact O-N 3.37Å; M43-L46 PolarHBondContact O-N 3.16Å; L46-K48 VanDerWaalsContact C-N 3.3Å; L46-K48 PolarHBondContact O-N 3.33Å; L46-C49 PolarHBondContact O-N 3.19Å; L46-C49 VanDerWaalsContact O-N 3.11Å; L46-F50 HydrophobicContact CD2-CE2 4.5Å; L46-F50 WeakPolarHBondContact O-CB 3.47Å; L46-F50 WeakPolarHBondContact O-CD2 3.39Å; L46-F50 PolarHBondContact O-N 3.44Å
47K93.7Very high92.1Very high77 Ų7765 Ų6534%0.33535%0.351SS..Hα-helixtrans-57.1-45.7174.5-74175.1-169.8164.40110.8L14 M43 E44 C49 F50 S51L14-K47 HydrophobicContact CD2-CG 4.41Å; M43-K47 WeakPolarHBondContact O-CB 3.48Å; M43-K47 WeakPolarHBondContact O-CG 3.08Å; M43-K47 PolarHBondContact O-N 2.84Å; E44-K47 IonicContact OE1-NZ 3.84Å; E44-K47 PolarHBondContact OE1-NZ 3.01Å; K47-C49 PolarHBondContact O-N 3.12Å; K47-F50 PolarHBondContact O-N 3.25Å; K47-S51 VanDerWaalsContact C-OG 3.23Å; K47-S51 WeakPolarHBondContact CA-OG 3.34Å; K47-S51 VanDerWaalsContact O-CB 3.22Å; K47-S51 WeakPolarHBondContact O-CB 3.42Å; K47-S51 PolarHBondContact O-N 2.76Å; K47-S51 PolarHBondContact O-OG 3.18Å
48K92.1Very high91.2Very high168 Ų16864.3 Ų64.373%0.7335%0.349SS*.Hα-helixtrans-57.9-33.1178.6-172.9177.5178-178.20113.1E44 A45 L46 S70E44-K48 WeakPolarHBondContact O-CB 3.44Å; E44-K48 PolarHBondContact O-N 3.36Å; A45-K48 WeakPolarHBondContact O-CB 3.36Å; A45-K48 PolarHBondContact O-N 2.9Å; L46-K48 VanDerWaalsContact C-N 3.3Å; L46-K48 PolarHBondContact O-N 3.33Å; K48-S70 WeakPolarHBondContact O-CB 3.08Å; K48-S70 PolarHBondContact O-OG 3.07Å
49C95.3Very high90.5Very high11 Ų1166.6 Ų66.67%0.07437%0.37CS..Hα-helixtrans-86.2-24.4-179.8-59.40000113.7A45 L46 K47 P67 G68 I69 S70A45-C49 PolarHBondContact O-N 2.98Å; A45-C49 VanDerWaalsContact O-N 3.12Å; A45-C49 PolarHBondContact O-SG 3.11Å; L46-C49 PolarHBondContact O-N 3.19Å; L46-C49 VanDerWaalsContact O-N 3.11Å; K47-C49 PolarHBondContact O-N 3.12Å; C49-P67 WeakPolarHBondContact CB-O 3.38Å; C49-G68 CarbonylContact O-C 3.41Å; C49-G68 WeakPolarHBondContact O-CA 3.26Å; C49-I69 PolarHBondContact O-N 3.35Å; C49-S70 WeakPolarHBondContact O-CB 3.46Å; C49-S70 PolarHBondContact O-N 3.29Å; C49-S70 PolarHBondContact O-OG 3.5Å
50F95.9Very high90.4Very high8 Ų860.6 Ų60.64%0.03535%0.346CS..Hα-helixtrans-127-3.3-167-71.1-81.1000116.4L14 A17 I18 W21 V34 L46 K47L14-F50 HydrophobicContact CD1-CB 3.5Å; L14-F50 VanDerWaalsContact CD1-CB 3.5Å; L14-F50 HydrophobicContact CD1-CG 4.23Å; A17-F50 HydrophobicContact CB-CD1 4.23Å; I18-F50 HydrophobicContact CG1-CD1 4.29Å; I18-F50 HydrophobicContact CG1-CD2 3.89Å; I18-F50 HydrophobicContact CG1-CE1 4.28Å; I18-F50 HydrophobicContact CG1-CE2 3.9Å; I18-F50 HydrophobicContact CG1-CG 4.1Å; I18-F50 HydrophobicContact CG1-CZ 4.09Å; W21-F50 HydrophobicContact CB-CE1 3.58Å; W21-F50 HydrophobicContact CB-CZ 4.27Å; W21-F50 HydrophobicContact CD2-CE1 4.02Å; W21-F50 AromaticContact CD2-CZ 3.97Å; W21-F50 HydrophobicContact CD2-CZ 3.97Å; W21-F50 HydrophobicContact CE3-CE1 4.43Å; W21-F50 HydrophobicContact CE3-CZ 4.01Å; W21-F50 AromaticContact CG-CE1 3.62Å; W21-F50 HydrophobicContact CG-CE1 3.62Å; W21-F50 HydrophobicContact CG-CZ 4.08Å; V34-F50 HydrophobicContact CG1-CE2 4.08Å; V34-F50 HydrophobicContact CG1-CZ 4.15Å; V34-F50 HydrophobicContact CG2-CE2 3.96Å; V34-F50 HydrophobicContact CG2-CZ 3.94Å; L46-F50 HydrophobicContact CD2-CE2 4.5Å; L46-F50 WeakPolarHBondContact O-CB 3.47Å; L46-F50 WeakPolarHBondContact O-CD2 3.39Å; L46-F50 PolarHBondContact O-N 3.44Å; K47-F50 PolarHBondContact O-N 3.25Å
51S87.4Confident90.4Very high82 Ų8255 Ų5557%0.57332%0.316SS*.SBendtrans-71.5-42.6-175.1-61.40000113.1K47K47-S51 VanDerWaalsContact C-OG 3.23Å; K47-S51 WeakPolarHBondContact CA-OG 3.34Å; K47-S51 VanDerWaalsContact O-CB 3.22Å; K47-S51 WeakPolarHBondContact O-CB 3.42Å; K47-S51 PolarHBondContact O-N 2.76Å; K47-S51 PolarHBondContact O-OG 3.18Å
52S88.4Confident90.5Very high84 Ų8458.4 Ų58.459%0.58731%0.314SS*.SBendtrans-140.8130-174.6-59.90000110.4S70S52-S70 WeakPolarHBondContact O-CB 3.31Å; S52-S70 PolarHBondContact O-OG 2.88Å
53R90.8Very high90.5Very high73 Ų7357.2 Ų57.228%0.27531%0.306SS..PPolyproline II helixtrans-62.9145.2172.2-168.2174-160.675.914.9110E55 I69 L199R53-E55 PolarHBondContact O-N 3.03Å; R53-I69 WeakPolarHBondContact CA-O 3.49Å; R53-I69 HydrophobicContact CB-CD1 4.29Å; R53-L199 VanDerWaalsContact NH2-CD2 3.27Å
54M90.3Very high90.6Very high33 Ų3356.5 Ų56.516%0.16331%0.309CS..PPolyproline II helixtrans-62.3132.6169.8-64.5-173.8-65.700110.9L61 A63 I69 C71 M72 T76M54-L61 HydrophobicContact CB-CD2 4.11Å; M54-A63 HydrophobicContact CG-CB 4.43Å; M54-A63 HydrophobicContact SD-CB 3.27Å; M54-A63 WeakPolarHBondContact SD-CB 3.3Å; M54-I69 PolarHBondContact N-O 3.19Å; M54-I69 VanDerWaalsContact N-O 3.16Å; M54-C71 WeakPolarHBondContact CE-O 3.35Å; M54-M72 HydrophobicContact CE-CG 4.47Å; M54-M72 HydrophobicContact CE-SD 3.81Å; M54-M72 HydrophobicContact SD-CG 4.48Å; M54-M72 HydrophobicContact SD-SD 4.21Å; M54-T76 HydrophobicContact CE-CG2 3.18Å
55E87Confident90.8Very high167 Ų16750.6 Ų50.678%0.7828%0.282SS*.PPolyproline II helixtrans-82.3128.3177.3-171.2179174.800110.3R53 G57 L61R53-E55 PolarHBondContact O-N 3.03Å; E55-G57 PolarHBondContact O-N 3.18Å; E55-L61 WeakPolarHBondContact O-CD2 3.4Å
56F90.1Very high90.9Very high9 Ų949 Ų494%0.03927%0.27CS..  trans-81.4107173.3-169.4-84.1000109.6L61 T80 Y173 V175 I183 I191 I195F56-L61 HydrophobicContact CB-CD2 3.98Å; F56-L61 HydrophobicContact CD2-CD1 4.31Å; F56-L61 HydrophobicContact CD2-CD2 3.95Å; F56-L61 HydrophobicContact CD2-CG 3.72Å; F56-L61 HydrophobicContact CE2-CG 4.36Å; F56-L61 HydrophobicContact CG-CD2 4.39Å; F56-T80 HydrophobicContact CD2-CG2 3.9Å; F56-T80 HydrophobicContact CE2-CG2 3.84Å; F56-Y173 HydrophobicContact CE2-CD1 4.23Å; F56-Y173 HydrophobicContact CE2-CE1 4.49Å; F56-V175 HydrophobicContact CE2-CG2 4.35Å; F56-V175 HydrophobicContact CZ-CB 4.41Å; F56-V175 HydrophobicContact CZ-CG2 3.81Å; F56-I183 HydrophobicContact CE1-CD1 3.62Å; F56-I183 HydrophobicContact CZ-CD1 4.17Å; F56-I191 HydrophobicContact CD1-CB 4.1Å; F56-I191 HydrophobicContact CD1-CG2 3.78Å; F56-I191 HydrophobicContact CD2-CG2 4.44Å; F56-I191 HydrophobicContact CE1-CB 3.85Å; F56-I191 HydrophobicContact CE1-CD1 4.06Å; F56-I191 HydrophobicContact CE1-CG2 3.49Å; F56-I191 VanDerWaalsContact CE1-CG2 3.49Å; F56-I191 HydrophobicContact CE2-CG2 4.22Å; F56-I191 HydrophobicContact CG-CG2 4.26Å; F56-I191 HydrophobicContact CZ-CD1 4.45Å; F56-I191 HydrophobicContact CZ-CG2 3.75Å; F56-I195 HydrophobicContact CB-CD1 3.93Å; F56-I195 HydrophobicContact CD2-CD1 3.65Å; F56-I195 HydrophobicContact CE2-CD1 4.36Å; F56-I195 HydrophobicContact CG-CD1 3.82Å
57G85.1Confident91.1Very high24 Ų2449.4 Ų49.425%0.24727%0.272CS..BIsolated β-bridgetrans-104.3-176.2179.100000112.9E55 A59 G60E55-G57 PolarHBondContact O-N 3.18Å; G57-A59 PolarHBondContact O-N 3.05Å; G57-A59 VanDerWaalsContact O-N 3.15Å; G57-G60 PolarHBondContact N-O 3.26Å; G57-G60 WeakPolarHBondContact O-CA 3.42Å; G57-G60 PolarHBondContact O-N 3.27Å
58T77Confident91.2Very high24 Ų2445.8 Ų45.815%0.14726%0.256CS..THydrogen-bonded Turntrans-58.5-21.8173.6530000116.4G60 I183 D188 K402T58-G60 VanDerWaalsContact C-N 3.28Å; T58-I183 WeakPolarHBondContact CB-O 3.22Å; T58-D188 HydrophobicContact CG2-CB 3.91Å; T58-D188 WeakPolarHBondContact CG2-OD2 3.12Å; T58-K402 VanDerWaalsContact CB-CD 3.46Å; T58-K402 HydrophobicContact CG2-CD 4.09Å; T58-K402 VanDerWaalsContact CG2-NZ 3.32Å; T58-K402 PolarHBondContact OG1-NZ 2.95Å
59A78.4Confident91.4Very high62 Ų6239.3 Ų39.351%0.51223%0.229SC..THydrogen-bonded Turntrans-92.27.517300000112G57G57-A59 PolarHBondContact O-N 3.05Å; G57-A59 VanDerWaalsContact O-N 3.15Å
60G89.8Confident91.4Very high8 Ų840 Ų408%0.08223%0.234CC..BIsolated β-bridgetrans73.6-139.3-171.100000112.9G57 T58 Y173G57-G60 PolarHBondContact N-O 3.26Å; G57-G60 WeakPolarHBondContact O-CA 3.42Å; G57-G60 PolarHBondContact O-N 3.27Å; T58-G60 VanDerWaalsContact C-N 3.28Å; G60-Y173 CarbonylContact C-O 3.57Å; G60-Y173 WeakPolarHBondContact CA-O 3.39Å
61L94.3Very high91.5Very high8 Ų840.3 Ų40.34%0.04224%0.237CC..EExtended strand (participates in β ladder)trans-106.9147.1178.9-61.5177.4000111.8M54 E55 F56 M72 T76 T80 G172 Y173M54-L61 HydrophobicContact CB-CD2 4.11Å; E55-L61 WeakPolarHBondContact O-CD2 3.4Å; F56-L61 HydrophobicContact CB-CD2 3.98Å; F56-L61 HydrophobicContact CD2-CD1 4.31Å; F56-L61 HydrophobicContact CD2-CD2 3.95Å; F56-L61 HydrophobicContact CD2-CG 3.72Å; F56-L61 HydrophobicContact CE2-CG 4.36Å; F56-L61 HydrophobicContact CG-CD2 4.39Å; L61-M72 HydrophobicContact CB-SD 3.98Å; L61-T76 HydrophobicContact CD1-CG2 4Å; L61-T80 HydrophobicContact CD1-CG2 3.74Å; L61-T80 WeakPolarHBondContact CD1-OG1 3.26Å; L61-T80 HydrophobicContact CG-CG2 4.47Å; L61-G172 CarbonylContact O-C 3.47Å; L61-G172 WeakPolarHBondContact O-CA 3.4Å; L61-Y173 PolarHBondContact N-O 3.07Å; L61-Y173 PolarHBondContact O-N 3.3Å
62R94Very high92Very high120 Ų12036.4 Ų36.445%0.45321%0.21SC..EExtended strand (participates in β ladder)trans-156.4125171.5-172.7173.263.3179.8-8.5110.9A163 N166 N171R62-A163 HydrophobicContact CG-CB 4.24Å; R62-N166 WeakPolarHBondContact CD-OD1 3.44Å; R62-N166 PolarHBondContact NH1-OD1 2.84Å; R62-N171 WeakPolarHBondContact CA-O 3.18Å
63A94.3Very high92.4Very high19 Ų1932.6 Ų32.616%0.15718%0.183CC..EExtended strand (participates in β ladder)trans-164.3173.8172.200000111M54 M72 D170 N171M54-A63 HydrophobicContact CG-CB 4.43Å; M54-A63 HydrophobicContact SD-CB 3.27Å; M54-A63 WeakPolarHBondContact SD-CB 3.3Å; A63-M72 HydrophobicContact CB-CG 4.21Å; A63-M72 VanDerWaalsContact O-CG 3.3Å; A63-M72 WeakPolarHBondContact O-CG 3.45Å; A63-D170 WeakPolarHBondContact O-CA 3.22Å; A63-N171 PolarHBondContact N-O 3.49Å; A63-N171 VanDerWaalsContact N-O 3.17Å; A63-N171 PolarHBondContact O-N 3.44Å; A63-N171 VanDerWaalsContact O-O 3.14Å
64A95.6Very high92.8Very high40 Ų4029.1 Ų29.133%0.33117%0.17SC..EExtended strand (participates in β ladder)trans-56.8139.8168.400000111.2C71 M72 Q169 D170A64-C71 WeakPolarHBondContact O-CA 3.21Å; A64-C71 WeakPolarHBondContact O-CB 3.25Å; A64-M72 PolarHBondContact O-N 3.26Å; A64-Q169 CarbonylContact C-O 3.51Å; A64-Q169 WeakPolarHBondContact CA-O 3.35Å; A64-D170 VanDerWaalsContact CA-OD1 3.29Å; A64-D170 WeakPolarHBondContact CA-OD1 3.46Å; A64-D170 PolarHBondContact N-OD1 3.36Å
65M97.8Very high93.2Very high7 Ų727.6 Ų27.63%0.03416%0.162CC..BIsolated β-bridgetrans-72.9126.1171.7-71.7178.7-85.400110.2M72 H109 F119 Q169 N171M65-M72 VanDerWaalsContact CA-O 3.25Å; M65-M72 WeakPolarHBondContact CA-O 3.38Å; M65-M72 HydrophobicContact CG-CB 4.09Å; M65-H109 HydrophobicContact CB-CB 3.75Å; M65-H109 HydrophobicContact CE-CB 3.55Å; M65-H109 HydrophobicContact CG-CB 4.32Å; M65-H109 PolarHBondContact O-CE1 3.29Å; M65-H109 PolarHBondContact O-ND1 3.1Å; M65-H109 HydrophobicContact SD-CB 3.65Å; M65-F119 HydrophobicContact CG-CE2 4.1Å; M65-F119 HydrophobicContact CG-CZ 4.3Å; M65-F119 HydrophobicContact SD-CE2 4.08Å; M65-F119 HydrophobicContact SD-CZ 4.38Å; M65-Q169 WeakPolarHBondContact CB-O 3.43Å; M65-Q169 PolarHBondContact N-O 3.42Å; M65-N171 HydrophobicContact CE-CB 4.02Å; M65-N171 HydrophobicContact CG-CB 3.66Å; M65-N171 HydrophobicContact SD-CB 3.77Å
66G97.4Very high93.7Very high6 Ų619.8 Ų19.86%0.06213%0.126CC..  trans173.9175.8-173.400000112.9C71 M72 N73G66-C71 VanDerWaalsContact O-CB 3.23Å; G66-C71 WeakPolarHBondContact O-CB 3.42Å; G66-M72 PolarHBondContact N-O 3.1Å; G66-N73 WeakPolarHBondContact O-CB 3.38Å; G66-N73 PolarHBondContact O-ND2 2.84Å
67P97.7Very high94.1Very high8 Ų819.4 Ų19.45%0.05212%0.124CC..SBendtrans-72.1165.9179.831.8-35.4000112.7W21 L33 V34 M37 C49 C71W21-P67 HydrophobicContact CH2-CB 4.03Å; W21-P67 HydrophobicContact CZ2-CB 4.28Å; L33-P67 HydrophobicContact CB-CG 4.07Å; L33-P67 HydrophobicContact CD1-CG 4.45Å; V34-P67 HydrophobicContact CG2-CB 3.42Å; V34-P67 VanDerWaalsContact CG2-CB 3.42Å; V34-P67 HydrophobicContact CG2-CG 4.1Å; M37-P67 HydrophobicContact CE-CG 4.16Å; C49-P67 WeakPolarHBondContact CB-O 3.38Å; P67-C71 WeakPolarHBondContact O-CB 3.39Å
68G97.1Very high94.8Very high0 Ų018.2 Ų18.20%011%0.113CC..SBendtrans86.9-175.6173.400000114.9W21 C49 N73W21-G68 VanDerWaalsContact CZ2-N 3.34Å; W21-G68 PolarHBondContact NE1-O 3.19Å; C49-G68 CarbonylContact O-C 3.41Å; C49-G68 WeakPolarHBondContact O-CA 3.26Å; G68-N73 PolarHBondContact O-ND2 2.95Å
69I95.8Very high95.8Very high33 Ų3317.4 Ų17.417%0.16911%0.107CC..THydrogen-bonded Turntrans-90.4-10.6-173.761169.8000113.4C49 R53 M54C49-I69 PolarHBondContact O-N 3.35Å; R53-I69 WeakPolarHBondContact CA-O 3.49Å; R53-I69 HydrophobicContact CB-CD1 4.29Å; M54-I69 PolarHBondContact N-O 3.19Å; M54-I69 VanDerWaalsContact N-O 3.16Å
70S95.8Very high96.7Very high25 Ų2514.6 Ų14.618%0.1758%0.083CC..THydrogen-bonded Turntrans-943.4178.1-50.10000113.2K48 C49 S52K48-S70 WeakPolarHBondContact O-CB 3.08Å; K48-S70 PolarHBondContact O-OG 3.07Å; C49-S70 WeakPolarHBondContact O-CB 3.46Å; C49-S70 PolarHBondContact O-N 3.29Å; C49-S70 PolarHBondContact O-OG 3.5Å; S52-S70 WeakPolarHBondContact O-CB 3.31Å; S52-S70 PolarHBondContact O-OG 2.88Å
71C96.8Very high97.2Very high15 Ų1514.2 Ų14.210%0.1018%0.079CC..SBendtrans-130.6157.1-173.1-67.70000112.4M54 A64 G66 P67 N73 T76M54-C71 WeakPolarHBondContact CE-O 3.35Å; A64-C71 WeakPolarHBondContact O-CA 3.21Å; A64-C71 WeakPolarHBondContact O-CB 3.25Å; G66-C71 VanDerWaalsContact O-CB 3.23Å; G66-C71 WeakPolarHBondContact O-CB 3.42Å; P67-C71 WeakPolarHBondContact O-CB 3.39Å; C71-N73 PolarHBondContact O-N 3.15Å; C71-N73 PolarHBondContact O-ND2 3.03Å; C71-T76 PolarHBondContact O-OG1 3.49Å
72M97.8Very high97.4Very high0 Ų013.8 Ų13.80%08%0.077CC..BIsolated β-bridgetrans-72.6123.8170-66.1-62.9-67.700109.7M54 L61 A63 A64 M65 G66 I77 F119 N171M54-M72 HydrophobicContact CE-CG 4.47Å; M54-M72 HydrophobicContact CE-SD 3.81Å; M54-M72 HydrophobicContact SD-CG 4.48Å; M54-M72 HydrophobicContact SD-SD 4.21Å; L61-M72 HydrophobicContact CB-SD 3.98Å; A63-M72 HydrophobicContact CB-CG 4.21Å; A63-M72 VanDerWaalsContact O-CG 3.3Å; A63-M72 WeakPolarHBondContact O-CG 3.45Å; A64-M72 PolarHBondContact O-N 3.26Å; M65-M72 VanDerWaalsContact CA-O 3.25Å; M65-M72 WeakPolarHBondContact CA-O 3.38Å; M65-M72 HydrophobicContact CG-CB 4.09Å; G66-M72 PolarHBondContact N-O 3.1Å; M72-I77 HydrophobicContact CE-CD1 3.65Å; M72-I77 HydrophobicContact CE-CG1 4.5Å; M72-F119 HydrophobicContact CB-CE2 4.24Å; M72-N171 HydrophobicContact CB-CB 4.43Å; M72-N171 HydrophobicContact CG-CB 4.48Å; M72-N171 WeakPolarHBondContact CG-O 3.49Å
73N98.3Very high97.6Very high3 Ų38.1 Ų8.12%0.0166%0.056CC..  trans-160.4176.3175.15466.5000110.5G66 G68 C71 L75 T76 I77G66-N73 WeakPolarHBondContact O-CB 3.38Å; G66-N73 PolarHBondContact O-ND2 2.84Å; G68-N73 PolarHBondContact O-ND2 2.95Å; C71-N73 PolarHBondContact O-N 3.15Å; C71-N73 PolarHBondContact O-ND2 3.03Å; N73-L75 VanDerWaalsContact C-N 3.34Å; N73-L75 PolarHBondContact O-N 3.4Å; N73-L75 PolarHBondContact OD1-N 3.31Å; N73-T76 WeakPolarHBondContact O-CB 3.48Å; N73-T76 PolarHBondContact O-N 3.07Å; N73-T76 PolarHBondContact OD1-N 2.87Å; N73-T76 PolarHBondContact OD1-OG1 3.41Å; N73-I77 WeakPolarHBondContact O-CG1 3.46Å; N73-I77 PolarHBondContact O-N 3.21Å
74D98.5Very high97.8Very high0 Ų07.2 Ų7.20%05%0.048CC..Hα-helixtrans-54.4-47.4-178.5-61.4-10.7000112.7N27 I77 I78 R118 F119 L122 W206N27-D74 VanDerWaalsContact CB-OD2 3.31Å; N27-D74 WeakPolarHBondContact CB-OD2 3.33Å; N27-D74 PolarHBondContact ND2-OD2 3.12Å; D74-I77 PolarHBondContact O-N 2.78Å; D74-I78 WeakPolarHBondContact O-CG1 3.43Å; D74-I78 PolarHBondContact O-N 3.2Å; D74-R118 WeakPolarHBondContact OD1-CD 3.36Å; D74-R118 IonicContact OD1-CZ 2.83Å; D74-R118 IonicContact OD1-NE 3.45Å; D74-R118 PolarHBondContact OD1-NE 3.44Å; D74-R118 IonicContact OD2-CZ 3.66Å; D74-R118 IonicContact OD2-NE 2.67Å; D74-R118 PolarHBondContact OD2-NE 3.03Å; D74-R118 IonicContact OD2-NH2 3.15Å; D74-R118 PolarHBondContact OD2-NH2 2.94Å; D74-F119 WeakPolarHBondContact OD1-CE1 3.43Å; D74-L122 HydrophobicContact CB-CD1 3.51Å; D74-W206 HydrophobicContact CB-CH2 3.9Å; D74-W206 HydrophobicContact CB-CZ3 3.65Å
75L98.4Very high98Very high1 Ų15.3 Ų5.31%0.0053%0.033CC..Hα-helixtrans-65.7-43.7-178.5178.460.5000111.5W21 D25 N73 I77 I78 Q79 P201 W206W21-L75 HydrophobicContact CG-CD2 4.17Å; D25-L75 HydrophobicContact CB-CB 4.48Å; D25-L75 HydrophobicContact CB-CD2 4.21Å; N73-L75 VanDerWaalsContact C-N 3.34Å; N73-L75 PolarHBondContact O-N 3.4Å; N73-L75 PolarHBondContact OD1-N 3.31Å; L75-I77 VanDerWaalsContact C-N 3.3Å; L75-I77 PolarHBondContact O-N 2.92Å; L75-I78 PolarHBondContact O-N 2.88Å; L75-Q79 HydrophobicContact CD1-CG 3.94Å; L75-Q79 HydrophobicContact CG-CG 4.33Å; L75-Q79 WeakPolarHBondContact O-CB 3.3Å; L75-Q79 VanDerWaalsContact O-CG 3.27Å; L75-Q79 WeakPolarHBondContact O-CG 3.48Å; L75-Q79 PolarHBondContact O-N 2.87Å; L75-P201 HydrophobicContact CD1-CG 3.49Å; L75-P201 VanDerWaalsContact CD1-CG 3.49Å; L75-W206 HydrophobicContact CB-CH2 4.28Å; L75-W206 HydrophobicContact CB-CZ2 4.35Å; L75-W206 HydrophobicContact CD1-CZ2 4.09Å
76T97.9Very high98Very high4 Ų48.3 Ų8.33%0.0254%0.044CC..Hα-helixtrans-55.1-47.2173.3-63.90000110.8M54 L61 C71 N73 Q79 T80M54-T76 HydrophobicContact CE-CG2 3.18Å; L61-T76 HydrophobicContact CD1-CG2 4Å; C71-T76 PolarHBondContact O-OG1 3.49Å; N73-T76 WeakPolarHBondContact O-CB 3.48Å; N73-T76 PolarHBondContact O-N 3.07Å; N73-T76 PolarHBondContact OD1-N 2.87Å; N73-T76 PolarHBondContact OD1-OG1 3.41Å; T76-Q79 PolarHBondContact O-N 3.37Å; T76-T80 VanDerWaalsContact O-CB 3.24Å; T76-T80 WeakPolarHBondContact O-CB 3.29Å; T76-T80 PolarHBondContact O-N 3.4Å; T76-T80 PolarHBondContact O-OG1 2.96Å
77I98.6Very high98.1Very high0 Ų09.5 Ų9.50%05%0.046CC..Hα-helixtrans-63.9-43.1-178.6-68.3-71.7000111.6M72 N73 D74 L75 T81 F119 L122 A123 Y173M72-I77 HydrophobicContact CE-CD1 3.65Å; M72-I77 HydrophobicContact CE-CG1 4.5Å; N73-I77 WeakPolarHBondContact O-CG1 3.46Å; N73-I77 PolarHBondContact O-N 3.21Å; D74-I77 PolarHBondContact O-N 2.78Å; L75-I77 VanDerWaalsContact C-N 3.3Å; L75-I77 PolarHBondContact O-N 2.92Å; I77-T81 VanDerWaalsContact O-CB 3.32Å; I77-T81 WeakPolarHBondContact O-CB 3.14Å; I77-T81 PolarHBondContact O-N 3.29Å; I77-T81 PolarHBondContact O-OG1 2.86Å; I77-F119 HydrophobicContact CD1-CB 3.87Å; I77-F119 HydrophobicContact CD1-CD2 4.15Å; I77-F119 HydrophobicContact CD1-CG 3.99Å; I77-F119 HydrophobicContact CG1-CB 3.78Å; I77-F119 HydrophobicContact CG1-CD1 3.78Å; I77-F119 HydrophobicContact CG1-CD2 4.09Å; I77-F119 HydrophobicContact CG1-CE1 4.38Å; I77-F119 HydrophobicContact CG1-CG 3.61Å; I77-F119 HydrophobicContact CG2-CB 4.28Å; I77-F119 WeakPolarHBondContact CG2-O 3.24Å; I77-L122 HydrophobicContact CG2-CB 4.03Å; I77-A123 HydrophobicContact CG2-CB 4.34Å; I77-Y173 HydrophobicContact CD1-CD2 3.66Å; I77-Y173 HydrophobicContact CD1-CE2 4.36Å
78I98.8Very high98.1Very high0 Ų09.1 Ų9.10%04%0.044CC..Hα-helixtrans-60.1-54175.9-71.8167.5000110D74 L75 T80 T81 Q82 L122 V126 P201 S205 W206D74-I78 WeakPolarHBondContact O-CG1 3.43Å; D74-I78 PolarHBondContact O-N 3.2Å; L75-I78 PolarHBondContact O-N 2.88Å; I78-T80 VanDerWaalsContact C-N 3.31Å; I78-T80 PolarHBondContact O-N 3.25Å; I78-T81 PolarHBondContact O-N 3.49Å; I78-Q82 HydrophobicContact CG2-CG 4.27Å; I78-Q82 VanDerWaalsContact CG2-OE1 3.32Å; I78-Q82 WeakPolarHBondContact O-CB 3.4Å; I78-Q82 VanDerWaalsContact O-CG 3.24Å; I78-Q82 WeakPolarHBondContact O-CG 3.37Å; I78-Q82 PolarHBondContact O-N 3.47Å; I78-L122 HydrophobicContact CD1-CD2 4.12Å; I78-L122 HydrophobicContact CG1-CB 4.34Å; I78-L122 HydrophobicContact CG1-CD2 4.31Å; I78-V126 HydrophobicContact CB-CG2 4.43Å; I78-V126 HydrophobicContact CG1-CG2 4.37Å; I78-V126 HydrophobicContact CG2-CG2 4.16Å; I78-P201 HydrophobicContact CG2-CB 4.17Å; I78-S205 WeakPolarHBondContact CG2-OG 3.31Å; I78-W206 HydrophobicContact CD1-CD2 3.33Å; I78-W206 HydrophobicContact CD1-CE3 3.6Å; I78-W206 HydrophobicContact CD1-CG 3.88Å; I78-W206 HydrophobicContact CD1-CH2 3.79Å; I78-W206 HydrophobicContact CD1-CZ2 3.54Å; I78-W206 HydrophobicContact CD1-CZ3 3.83Å
79Q98.5Very high98.2Very high6 Ų611.5 Ų11.53%0.0286%0.055CC..Hα-helixtrans-59.8-42.8-178.1-70.5172.2-32.100111.7L75 T76 Q82 G83 L199L75-Q79 HydrophobicContact CD1-CG 3.94Å; L75-Q79 HydrophobicContact CG-CG 4.33Å; L75-Q79 WeakPolarHBondContact O-CB 3.3Å; L75-Q79 VanDerWaalsContact O-CG 3.27Å; L75-Q79 WeakPolarHBondContact O-CG 3.48Å; L75-Q79 PolarHBondContact O-N 2.87Å; T76-Q79 PolarHBondContact O-N 3.37Å; Q79-Q82 PolarHBondContact O-N 3.36Å; Q79-G83 PolarHBondContact O-N 2.89Å; Q79-G83 VanDerWaalsContact O-N 3.09Å; Q79-L199 HydrophobicContact CB-CD2 4.35Å; Q79-L199 HydrophobicContact CG-CD2 4.44Å; Q79-L199 WeakPolarHBondContact CG-O 3.19Å; Q79-L199 PolarHBondContact NE2-O 3.34Å
80T98.6Very high98.3Very high3 Ų316.5 Ų16.52%0.0188%0.078CC..Hα-helixtrans-60.9-48.4176.6-57.80000111F56 L61 T76 I78 Q82 G83 F84 Y173 I195F56-T80 HydrophobicContact CD2-CG2 3.9Å; F56-T80 HydrophobicContact CE2-CG2 3.84Å; L61-T80 HydrophobicContact CD1-CG2 3.74Å; L61-T80 WeakPolarHBondContact CD1-OG1 3.26Å; L61-T80 HydrophobicContact CG-CG2 4.47Å; T76-T80 VanDerWaalsContact O-CB 3.24Å; T76-T80 WeakPolarHBondContact O-CB 3.29Å; T76-T80 PolarHBondContact O-N 3.4Å; T76-T80 PolarHBondContact O-OG1 2.96Å; I78-T80 VanDerWaalsContact C-N 3.31Å; I78-T80 PolarHBondContact O-N 3.25Å; T80-Q82 VanDerWaalsContact C-N 3.33Å; T80-Q82 PolarHBondContact O-N 3.03Å; T80-G83 PolarHBondContact O-N 3.41Å; T80-F84 WeakPolarHBondContact O-CB 3.32Å; T80-F84 PolarHBondContact O-N 3.23Å; T80-Y173 HydrophobicContact CG2-CD1 4.05Å; T80-Y173 HydrophobicContact CG2-CE1 3.94Å; T80-Y173 HydrophobicContact CG2-CG 4.43Å; T80-I195 HydrophobicContact CG2-CD1 3.83Å
81T98.9Very high98.4Very high0 Ų017.6 Ų17.60%09%0.085CC..Hα-helixtrans-70.5-31.2-178.1-50.80000111.9I77 I78 F84 C85 A123 V126 F127 Y173I77-T81 VanDerWaalsContact O-CB 3.32Å; I77-T81 WeakPolarHBondContact O-CB 3.14Å; I77-T81 PolarHBondContact O-N 3.29Å; I77-T81 PolarHBondContact O-OG1 2.86Å; I78-T81 PolarHBondContact O-N 3.49Å; T81-F84 PolarHBondContact O-N 3.01Å; T81-C85 VanDerWaalsContact O-CB 3.22Å; T81-C85 WeakPolarHBondContact O-CB 3.46Å; T81-C85 PolarHBondContact O-N 3.49Å; T81-A123 HydrophobicContact CG2-CB 4.05Å; T81-V126 HydrophobicContact CG2-CB 3.77Å; T81-V126 HydrophobicContact CG2-CG1 3.75Å; T81-V126 HydrophobicContact CG2-CG2 4.43Å; T81-F127 HydrophobicContact CG2-CD2 3.66Å; T81-F127 HydrophobicContact CG2-CE2 3.31Å; T81-F127 HydrophobicContact CG2-CG 4.48Å; T81-F127 HydrophobicContact CG2-CZ 3.9Å; T81-Y173 PolarHBondContact OG1-OH 3.49Å
82Q98.8Very high98.5Very high0 Ų017.7 Ų17.70%08%0.084CC..Hα-helixtrans-63.8-50.1174.2-75179.3179.100111I78 Q79 T80 F84 C85 R86 V126 N198 E200 W202 S205I78-Q82 HydrophobicContact CG2-CG 4.27Å; I78-Q82 VanDerWaalsContact CG2-OE1 3.32Å; I78-Q82 WeakPolarHBondContact O-CB 3.4Å; I78-Q82 VanDerWaalsContact O-CG 3.24Å; I78-Q82 WeakPolarHBondContact O-CG 3.37Å; I78-Q82 PolarHBondContact O-N 3.47Å; Q79-Q82 PolarHBondContact O-N 3.36Å; T80-Q82 VanDerWaalsContact C-N 3.33Å; T80-Q82 PolarHBondContact O-N 3.03Å; Q82-F84 VanDerWaalsContact C-N 3.32Å; Q82-F84 PolarHBondContact O-N 2.95Å; Q82-C85 PolarHBondContact O-N 3.41Å; Q82-R86 WeakPolarHBondContact O-CG 3.38Å; Q82-R86 PolarHBondContact O-N 3.01Å; Q82-V126 HydrophobicContact CB-CG1 4.42Å; Q82-V126 HydrophobicContact CG-CG1 3.73Å; Q82-V126 HydrophobicContact CG-CG2 4.34Å; Q82-N198 HydrophobicContact CB-CB 4.15Å; Q82-N198 PolarHBondContact NE2-O 3.14Å; Q82-E200 PolarHBondContact NE2-O 3.27Å; Q82-W202 HydrophobicContact CB-CD2 4.48Å; Q82-W202 HydrophobicContact CB-CH2 3.86Å; Q82-W202 HydrophobicContact CB-CZ2 3.78Å; Q82-W202 HydrophobicContact CB-CZ3 4.22Å; Q82-W202 HydrophobicContact CG-CD2 3.73Å; Q82-W202 HydrophobicContact CG-CE3 3.73Å; Q82-W202 HydrophobicContact CG-CG 4.35Å; Q82-W202 HydrophobicContact CG-CH2 3.95Å; Q82-W202 HydrophobicContact CG-CZ2 3.95Å; Q82-W202 HydrophobicContact CG-CZ3 3.81Å; Q82-S205 PolarHBondContact OE1-OG 3.28Å
83G98.6Very high98.5Very high0 Ų022 Ų220%013%0.129CC..Hα-helixtrans-59.6-44.6174.700000112Q79 T80 C85 R86 Y87 A194Q79-G83 PolarHBondContact O-N 2.89Å; Q79-G83 VanDerWaalsContact O-N 3.09Å; T80-G83 PolarHBondContact O-N 3.41Å; G83-C85 PolarHBondContact O-N 2.84Å; G83-R86 PolarHBondContact O-N 2.89Å; G83-Y87 PolarHBondContact O-N 3.35Å; G83-A194 VanDerWaalsContact CA-C 3.47Å; G83-A194 WeakPolarHBondContact CA-O 3.06Å; G83-A194 VanDerWaalsContact O-CB 3.23Å; G83-A194 WeakPolarHBondContact O-CB 3.48Å
84F98.8Very high98.5Very high0 Ų024.7 Ų24.70%014%0.143CC..Hα-helixtrans-62.5-44.2177.7-174.1-145.3000112.4T80 T81 Q82 R86 Y87 L88 F127 A157 I159 V175 W177 I191T80-F84 WeakPolarHBondContact O-CB 3.32Å; T80-F84 PolarHBondContact O-N 3.23Å; T81-F84 PolarHBondContact O-N 3.01Å; Q82-F84 VanDerWaalsContact C-N 3.32Å; Q82-F84 PolarHBondContact O-N 2.95Å; F84-R86 VanDerWaalsContact C-N 3.33Å; F84-R86 PolarHBondContact O-N 3.18Å; F84-Y87 PolarHBondContact O-N 3.28Å; F84-L88 HydrophobicContact CD1-CD1 4.26Å; F84-L88 HydrophobicContact CD2-CD1 4.23Å; F84-L88 HydrophobicContact CD2-CG 4.02Å; F84-L88 HydrophobicContact CE1-CD1 3.91Å; F84-L88 HydrophobicContact CE2-CD1 3.89Å; F84-L88 HydrophobicContact CE2-CD2 3.82Å; F84-L88 HydrophobicContact CE2-CG 3.72Å; F84-L88 HydrophobicContact CG-CD1 4.4Å; F84-L88 HydrophobicContact CZ-CD1 3.72Å; F84-L88 HydrophobicContact CZ-CD2 4.07Å; F84-L88 HydrophobicContact CZ-CG 4.04Å; F84-L88 WeakPolarHBondContact O-CG 3.45Å; F84-L88 PolarHBondContact O-N 3.1Å; F84-F127 AromaticContact CD1-CZ 3.83Å; F84-F127 HydrophobicContact CD1-CZ 3.83Å; F84-F127 HydrophobicContact CE1-CZ 4.25Å; F84-A157 HydrophobicContact CE1-CB 4.14Å; F84-A157 HydrophobicContact CZ-CB 3.59Å; F84-I159 HydrophobicContact CD1-CD1 4.06Å; F84-I159 HydrophobicContact CD1-CG1 4.29Å; F84-I159 HydrophobicContact CE1-CD1 4.06Å; F84-I159 HydrophobicContact CE1-CG1 3.93Å; F84-V175 HydrophobicContact CD1-CG2 4.44Å; F84-V175 HydrophobicContact CE1-CG1 3.73Å; F84-V175 HydrophobicContact CE1-CG2 4.17Å; F84-V175 HydrophobicContact CE2-CG1 3.73Å; F84-V175 HydrophobicContact CZ-CB 4.46Å; F84-V175 HydrophobicContact CZ-CG1 3.21Å; F84-V175 HydrophobicContact CZ-CG2 4.4Å; F84-W177 HydrophobicContact CE2-CZ3 4.09Å; F84-I191 HydrophobicContact CB-CG2 4.27Å; F84-I191 HydrophobicContact CD2-CD1 3.64Å; F84-I191 HydrophobicContact CD2-CG1 3.86Å; F84-I191 HydrophobicContact CD2-CG2 4.25Å; F84-I191 HydrophobicContact CE2-CD1 3.66Å; F84-I191 HydrophobicContact CE2-CG1 4.29Å
85C98.8Very high98.5Very high0 Ų024.9 Ų24.90%014%0.144CC..Hα-helixtrans-60-41.6175.3-175.50000112T81 Q82 G83 L88 E89 F127 W202T81-C85 VanDerWaalsContact O-CB 3.22Å; T81-C85 WeakPolarHBondContact O-CB 3.46Å; T81-C85 PolarHBondContact O-N 3.49Å; Q82-C85 PolarHBondContact O-N 3.41Å; G83-C85 PolarHBondContact O-N 2.84Å; C85-L88 PolarHBondContact O-N 3.49Å; C85-E89 WeakPolarHBondContact O-CG 3.11Å; C85-E89 PolarHBondContact O-N 3.45Å; C85-F127 HydrophobicContact CB-CD1 3.88Å; C85-F127 HydrophobicContact CB-CE1 3.58Å; C85-F127 HydrophobicContact CB-CZ 4.36Å; C85-W202 HydrophobicContact CB-CH2 4.23Å; C85-W202 HydrophobicContact CB-CZ3 4.47Å
86R98.7Very high98.5Very high71 Ų7130.7 Ų30.727%0.26817%0.17SC..Hα-helixtrans-62.7-43.5174.9-71.4-49.4-164.4167.73112.4Q82 G83 F84 L88 E89 Q90 N198 W202Q82-R86 WeakPolarHBondContact O-CG 3.38Å; Q82-R86 PolarHBondContact O-N 3.01Å; G83-R86 PolarHBondContact O-N 2.89Å; F84-R86 VanDerWaalsContact C-N 3.33Å; F84-R86 PolarHBondContact O-N 3.18Å; R86-L88 VanDerWaalsContact C-N 3.32Å; R86-L88 PolarHBondContact O-N 2.82Å; R86-E89 WeakPolarHBondContact CD-OE2 3.49Å; R86-E89 IonicContact CZ-OE2 2.79Å; R86-E89 IonicContact NE-OE2 2.68Å; R86-E89 IonicContact NH1-OE2 3.9Å; R86-E89 PolarHBondContact NH1-OE2 2.85Å; R86-E89 PolarHBondContact O-N 2.92Å; R86-Q90 VanDerWaalsContact O-CG 3.31Å; R86-Q90 WeakPolarHBondContact O-CG 3.21Å; R86-Q90 PolarHBondContact O-N 3.4Å; R86-Q90 VanDerWaalsContact O-N 3.08Å; R86-N198 WeakPolarHBondContact CG-OD1 3.22Å; R86-W202 HydrophobicContact CG-CH2 4.25Å; R86-W202 HydrophobicContact CG-CZ2 3.99Å
87Y98.7Very high98.5Very high30 Ų3038.2 Ų38.212%0.11820%0.204CC..Hα-helixtrans-64.9-38.7178.4-172-105.1000111.8G83 F84 Q90 S91 W177 H187 I191G83-Y87 PolarHBondContact O-N 3.35Å; F84-Y87 PolarHBondContact O-N 3.28Å; Y87-Q90 PolarHBondContact O-N 2.84Å; Y87-S91 WeakPolarHBondContact O-CB 3.36Å; Y87-S91 PolarHBondContact O-N 3.08Å; Y87-S91 PolarHBondContact O-OG 3.43Å; Y87-W177 HydrophobicContact CD1-CH2 4Å; Y87-W177 HydrophobicContact CD1-CZ3 4.18Å; Y87-W177 AromaticContact CE1-CH2 3.74Å; Y87-W177 HydrophobicContact CE1-CH2 3.74Å; Y87-W177 HydrophobicContact CE1-CZ3 4.1Å; Y87-H187 HydrophobicContact CE1-CB 4.17Å; Y87-H187 AromaticContact CE1-ND1 3.61Å; Y87-H187 AromaticContact CZ-ND1 3.77Å; Y87-H187 PolarHBondContact OH-ND1 3.35Å; Y87-I191 HydrophobicContact CD1-CD1 4.12Å; Y87-I191 HydrophobicContact CD1-CG1 3.35Å; Y87-I191 HydrophobicContact CE1-CD1 4.45Å; Y87-I191 HydrophobicContact CE1-CG1 3.91Å; Y87-I191 HydrophobicContact CG-CG1 3.78Å
88L98.8Very high98.5Very high0 Ų040.9 Ų40.90%022%0.215CC..Hα-helixtrans-65.6-41.8172.8-68.9176000112.3F84 C85 R86 Q90 S91 F92 L95 V100 F127 A157 W177F84-L88 HydrophobicContact CD1-CD1 4.26Å; F84-L88 HydrophobicContact CD2-CD1 4.23Å; F84-L88 HydrophobicContact CD2-CG 4.02Å; F84-L88 HydrophobicContact CE1-CD1 3.91Å; F84-L88 HydrophobicContact CE2-CD1 3.89Å; F84-L88 HydrophobicContact CE2-CD2 3.82Å; F84-L88 HydrophobicContact CE2-CG 3.72Å; F84-L88 HydrophobicContact CG-CD1 4.4Å; F84-L88 HydrophobicContact CZ-CD1 3.72Å; F84-L88 HydrophobicContact CZ-CD2 4.07Å; F84-L88 HydrophobicContact CZ-CG 4.04Å; F84-L88 WeakPolarHBondContact O-CG 3.45Å; F84-L88 PolarHBondContact O-N 3.1Å; C85-L88 PolarHBondContact O-N 3.49Å; R86-L88 VanDerWaalsContact C-N 3.32Å; R86-L88 PolarHBondContact O-N 2.82Å; L88-Q90 PolarHBondContact O-N 3.28Å; L88-S91 PolarHBondContact O-N 2.94Å; L88-S91 VanDerWaalsContact O-N 3.13Å; L88-F92 HydrophobicContact CB-CD2 4.47Å; L88-F92 HydrophobicContact CD2-CD2 3.76Å; L88-F92 HydrophobicContact CD2-CE2 3.61Å; L88-F92 PolarHBondContact O-N 3.35Å; L88-L95 HydrophobicContact CB-CD1 4.08Å; L88-L95 HydrophobicContact CB-CD2 3.67Å; L88-L95 HydrophobicContact CB-CG 4.49Å; L88-L95 HydrophobicContact CD1-CD1 4.31Å; L88-V100 HydrophobicContact CD1-CG1 3.88Å; L88-F127 HydrophobicContact CD1-CE1 3.84Å; L88-F127 HydrophobicContact CD1-CZ 4.02Å; L88-A157 HydrophobicContact CD1-CB 4Å; L88-A157 HydrophobicContact CD2-CB 3.98Å; L88-W177 HydrophobicContact CD2-CE3 4.21Å; L88-W177 HydrophobicContact CD2-CH2 3.62Å; L88-W177 HydrophobicContact CD2-CZ3 3.37Å
89E98.6Very high98.5Very high51 Ų5140.9 Ų40.924%0.23822%0.215CC..Hα-helixtrans-58.7-34.8175.2-76.7177.5158.200111.6C85 R86 L95 R130C85-E89 WeakPolarHBondContact O-CG 3.11Å; C85-E89 PolarHBondContact O-N 3.45Å; R86-E89 WeakPolarHBondContact CD-OE2 3.49Å; R86-E89 IonicContact CZ-OE2 2.79Å; R86-E89 IonicContact NE-OE2 2.68Å; R86-E89 IonicContact NH1-OE2 3.9Å; R86-E89 PolarHBondContact NH1-OE2 2.85Å; R86-E89 PolarHBondContact O-N 2.92Å; E89-L95 HydrophobicContact CB-CD2 4.49Å; E89-L95 HydrophobicContact CG-CD2 3.91Å; E89-R130 IonicContact OE1-CZ 3.7Å; E89-R130 IonicContact OE1-NE 3Å; E89-R130 PolarHBondContact OE1-NE 3.45Å; E89-R130 IonicContact OE1-NH2 2.64Å; E89-R130 PolarHBondContact OE1-NH2 2.9Å; E89-R130 IonicContact OE2-NH2 3.37Å; E89-R130 PolarHBondContact OE2-NH2 3.46Å
90Q98.2Very high98.5Very high137 Ų13740.6 Ų40.664%0.6421%0.213SC*.Hα-helixtrans-76.6-33.2176.4-67.7167.58.500112.7R86 Y87 L88R86-Q90 VanDerWaalsContact O-CG 3.31Å; R86-Q90 WeakPolarHBondContact O-CG 3.21Å; R86-Q90 PolarHBondContact O-N 3.4Å; R86-Q90 VanDerWaalsContact O-N 3.08Å; Y87-Q90 PolarHBondContact O-N 2.84Å; L88-Q90 PolarHBondContact O-N 3.28Å
91S98.3Very high98.5Very high48 Ų4840.5 Ų40.534%0.33621%0.212SC..Hα-helixtrans-86.7-26.7-174-56.10000113.1Y87 L88Y87-S91 WeakPolarHBondContact O-CB 3.36Å; Y87-S91 PolarHBondContact O-N 3.08Å; Y87-S91 PolarHBondContact O-OG 3.43Å; L88-S91 PolarHBondContact O-N 2.94Å; L88-S91 VanDerWaalsContact O-N 3.13Å
92F98.4Very high98.5Very high17 Ų1740.5 Ų40.58%0.07521%0.212CC..  trans-131.2112.3-171.7-64.6-69000112.7L88 N94 L95 C156 W177 E178L88-F92 HydrophobicContact CB-CD2 4.47Å; L88-F92 HydrophobicContact CD2-CD2 3.76Å; L88-F92 HydrophobicContact CD2-CE2 3.61Å; L88-F92 PolarHBondContact O-N 3.35Å; F92-N94 PolarHBondContact O-N 3.44Å; F92-L95 HydrophobicContact CB-CB 4.09Å; F92-L95 PolarHBondContact O-N 3Å; F92-C156 HydrophobicContact CD2-CB 3.82Å; F92-C156 HydrophobicContact CE2-CB 3.94Å; F92-C156 HydrophobicContact CG-CB 4.18Å; F92-C156 HydrophobicContact CZ-CB 4.41Å; F92-W177 HydrophobicContact CD2-CH2 4.34Å; F92-W177 HydrophobicContact CD2-CZ2 4.29Å; F92-W177 HydrophobicContact CE2-CD2 4.41Å; F92-W177 AromaticContact CE2-CE2 3.74Å; F92-W177 AromaticContact CE2-CH2 3.49Å; F92-W177 HydrophobicContact CE2-CH2 3.49Å; F92-W177 VanDerWaalsContact CE2-CH2 3.49Å; F92-W177 AromaticContact CE2-CZ2 3.23Å; F92-W177 HydrophobicContact CE2-CZ2 3.23Å; F92-W177 HydrophobicContact CE2-CZ3 4.16Å; F92-W177 HydrophobicContact CZ-CD2 4.35Å; F92-W177 AromaticContact CZ-CE2 3.51Å; F92-W177 HydrophobicContact CZ-CH2 4.12Å; F92-W177 AromaticContact CZ-CZ2 3.38Å; F92-W177 HydrophobicContact CZ-CZ2 3.38Å; F92-W177 AromaticContact CZ-NE1 3.68Å; F92-E178 HydrophobicContact CE1-CB 4.4Å; F92-E178 VanDerWaalsContact CE1-CD 3.41Å; F92-E178 HydrophobicContact CE1-CG 4.26Å; F92-E178 VanDerWaalsContact CE1-OE1 3.29Å; F92-E178 WeakPolarHBondContact CE1-OE1 3.5Å; F92-E178 WeakPolarHBondContact CE1-OE2 3.28Å; F92-E178 HydrophobicContact CZ-CB 4.06Å; F92-E178 HydrophobicContact CZ-CG 4.09Å
93G97.7Very high98.5Very high92 Ų9240.5 Ų40.595%0.94821%0.212SC*.THydrogen-bonded Turntrans-64.8-22.4173.500000114
94N97.9Very high98.5Very high58 Ų5840.7 Ų40.731%0.3121%0.213SC..THydrogen-bonded Turntrans-110.921.7-178.162-8000113.6F92 K96 E97 R98F92-N94 PolarHBondContact O-N 3.44Å; N94-K96 PolarHBondContact O-N 2.91Å; N94-E97 HydrophobicContact CB-CB 4.47Å; N94-E97 PolarHBondContact O-N 3.18Å; N94-R98 WeakPolarHBondContact ND2-CD 3.27Å; N94-R98 PolarHBondContact O-N 2.74Å
95L98.7Very high98.4Very high4 Ų440.8 Ų40.82%0.02121%0.214CC..Hα-helixtrans-53.8-39.3177.8177.362000112.8L88 E89 F92 E97 G99 V100 V132 C156L88-L95 HydrophobicContact CB-CD1 4.08Å; L88-L95 HydrophobicContact CB-CD2 3.67Å; L88-L95 HydrophobicContact CB-CG 4.49Å; L88-L95 HydrophobicContact CD1-CD1 4.31Å; E89-L95 HydrophobicContact CB-CD2 4.49Å; E89-L95 HydrophobicContact CG-CD2 3.91Å; F92-L95 HydrophobicContact CB-CB 4.09Å; F92-L95 PolarHBondContact O-N 3Å; L95-E97 PolarHBondContact O-N 3.05Å; L95-G99 WeakPolarHBondContact O-CA 3.49Å; L95-G99 PolarHBondContact O-N 3.27Å; L95-V100 HydrophobicContact CD1-CG1 4.26Å; L95-V132 HydrophobicContact CD1-CG1 3.93Å; L95-V132 HydrophobicContact CD2-CG1 4.47Å; L95-V132 HydrophobicContact CD2-CG2 3.82Å; L95-V132 HydrophobicContact CG-CG1 3.95Å; L95-V132 HydrophobicContact CG-CG2 3.94Å; L95-C156 HydrophobicContact CD1-CB 3.81Å
96K98.4Very high98.3Very high124 Ų12442.1 Ų42.154%0.53923%0.225SC..Hα-helixtrans-75-11.3-178.7-64.8-172.4176.9-174.20113.9N94 R130 P133N94-K96 PolarHBondContact O-N 2.91Å; K96-R130 VanDerWaalsContact CE-O 3.28Å; K96-R130 WeakPolarHBondContact CE-O 3.38Å; K96-R130 PolarHBondContact NZ-O 3.22Å; K96-P133 VanDerWaalsContact O-CD 3.23Å; K96-P133 WeakPolarHBondContact O-CD 3.47Å; K96-P133 VanDerWaalsContact O-CG 3.23Å; K96-P133 WeakPolarHBondContact O-CG 3.35Å
97E98.1Very high98.2Very high161 Ų16138.9 Ų38.975%0.75221%0.212SC*.Hα-helixtrans-95.2-47.2174.3-62173.3-178.600110.4N94 L95N94-E97 HydrophobicContact CB-CB 4.47Å; N94-E97 PolarHBondContact O-N 3.18Å; L95-E97 PolarHBondContact O-N 3.05Å
98R98.6Very high98.1Very high57 Ų5738.6 Ų38.622%0.21522%0.216CC..Hα-helixtrans-80.4-43.2-176-69.3173.164.2-173.85.1113.2N94 G154 L155 E178N94-R98 WeakPolarHBondContact ND2-CD 3.27Å; N94-R98 PolarHBondContact O-N 2.74Å; R98-G154 PolarHBondContact NE-O 3.15Å; R98-G154 PolarHBondContact NH2-O 2.98Å; R98-G154 VanDerWaalsContact NH2-O 3.16Å; R98-L155 PolarHBondContact NH2-O 3.01Å; R98-L155 WeakPolarHBondContact O-CD2 3.35Å; R98-E178 IonicContact CZ-OE2 3.42Å; R98-E178 IonicContact NH1-OE2 3.87Å; R98-E178 PolarHBondContact NH1-OE2 2.83Å; R98-E178 IonicContact NH2-OE2 3.04Å; R98-E178 PolarHBondContact NH2-OE2 3.49Å
99G98.8Very high98Very high0 Ų040.6 Ų40.60%023%0.225CC..  trans71.3-163.2-178.200000114.9L95 P133 C156L95-G99 WeakPolarHBondContact O-CA 3.49Å; L95-G99 PolarHBondContact O-N 3.27Å; G99-P133 CarbonylContact C-O 3.47Å; G99-P133 WeakPolarHBondContact CA-O 3.4Å; G99-C156 PolarHBondContact O-N 3.18Å
100V98.9Very high97.8Very high0 Ų041.8 Ų41.80%024%0.238CC..EExtended strand (participates in β ladder)trans-136.1161.8-176.8-59.50000111.5L88 L95 F127 V132 P133 V134 H135 A157L88-V100 HydrophobicContact CD1-CG1 3.88Å; L95-V100 HydrophobicContact CD1-CG1 4.26Å; V100-F127 HydrophobicContact CG1-CE1 4.21Å; V100-F127 HydrophobicContact CG1-CZ 4.3Å; V100-F127 HydrophobicContact CG2-CD1 4.26Å; V100-F127 HydrophobicContact CG2-CD2 3.79Å; V100-F127 HydrophobicContact CG2-CE1 4.42Å; V100-F127 HydrophobicContact CG2-CE2 3.96Å; V100-F127 HydrophobicContact CG2-CG 3.95Å; V100-F127 HydrophobicContact CG2-CZ 4.28Å; V100-V132 HydrophobicContact CG1-CG1 4.5Å; V100-P133 PolarHBondContact N-O 3.42Å; V100-V134 HydrophobicContact CG2-CG2 4.07Å; V100-V134 WeakPolarHBondContact O-CA 3.41Å; V100-H135 PolarHBondContact O-N 3.31Å; V100-A157 VanDerWaalsContact CA-O 3.29Å; V100-A157 WeakPolarHBondContact CA-O 3.42Å; V100-A157 HydrophobicContact CG1-CB 4.17Å
101V98.9Very high97.6Very high0 Ų039.6 Ų39.60%023%0.234CC..EExtended strand (participates in β ladder)trans-113.4145.7170.857.60000111.8H135 F137 V146 T149 V150 L155 A157 G158 I159V101-H135 CarbonylContact C-O 3.56Å; V101-H135 WeakPolarHBondContact CA-O 3.23Å; V101-H135 HydrophobicContact CB-CB 4.04Å; V101-H135 HydrophobicContact CG2-CB 4.16Å; V101-H135 WeakPolarHBondContact CG2-O 3.4Å; V101-F137 HydrophobicContact CG2-CD2 4.1Å; V101-F137 HydrophobicContact CG2-CE2 3.59Å; V101-F137 HydrophobicContact CG2-CZ 4.45Å; V101-V146 HydrophobicContact CG1-CG1 4.16Å; V101-T149 HydrophobicContact CB-CG2 4.09Å; V101-T149 HydrophobicContact CG1-CG2 4.33Å; V101-T149 HydrophobicContact CG2-CG2 3.79Å; V101-V150 HydrophobicContact CG1-CG2 3.45Å; V101-V150 VanDerWaalsContact CG1-CG2 3.45Å; V101-L155 HydrophobicContact CB-CD1 3.52Å; V101-L155 HydrophobicContact CG1-CD1 3.74Å; V101-A157 PolarHBondContact N-O 2.86Å; V101-G158 CarbonylContact O-C 3.57Å; V101-G158 VanDerWaalsContact O-CA 3.27Å; V101-G158 WeakPolarHBondContact O-CA 3.44Å; V101-I159 PolarHBondContact O-N 3.36Å
102I98.9Very high97.5Very high0 Ų037.4 Ų37.40%022%0.219CC..EExtended strand (participates in β ladder)trans-134.4122.6178.7-50.6-179.8000109.7A120 A123 A124 F127 V134 H135 L136 F137 I159I102-A120 HydrophobicContact CG2-CB 3.77Å; I102-A123 HydrophobicContact CD1-CB 3.92Å; I102-A124 HydrophobicContact CD1-CB 4.07Å; I102-F127 HydrophobicContact CD1-CD2 4.22Å; I102-V134 HydrophobicContact CD1-CG1 3.78Å; I102-V134 HydrophobicContact CG1-CG1 4.07Å; I102-H135 PolarHBondContact N-O 3.29Å; I102-L136 HydrophobicContact CB-CD1 3.89Å; I102-L136 HydrophobicContact CG2-CD1 4Å; I102-F137 WeakPolarHBondContact O-CD2 3.27Å; I102-F137 PolarHBondContact O-N 3.06Å; I102-I159 CarbonylContact C-O 3.51Å; I102-I159 WeakPolarHBondContact CA-O 3.06Å; I102-I159 HydrophobicContact CD1-CD1 4.28Å; I102-I159 HydrophobicContact CG1-CB 4.33Å; I102-I159 HydrophobicContact CG1-CD1 4.19Å; I102-I159 HydrophobicContact CG2-CB 4.28Å; I102-I159 HydrophobicContact CG2-CG2 4.36Å
103G98.6Very high97.3Very high0 Ų037.7 Ų37.70%023%0.226CC..EExtended strand (participates in β ladder)trans-120.5167.4171.900000112I159 M160 V161G103-I159 PolarHBondContact N-O 2.84Å; G103-M160 VanDerWaalsContact C-SD 3.51Å; G103-V161 PolarHBondContact O-N 3.27Å
104Y98.6Very high97.3Very high4 Ų433.4 Ų33.42%0.01618%0.182CC..EExtended strand (participates in β ladder)trans-155.6155.4-179.556.2-90.8000113K117 A120 F121 L136 F137 S138 I140 T141 V161Y104-K117 HydrophobicContact CD2-CB 3.94Å; Y104-K117 HydrophobicContact CE2-CB 3.66Å; Y104-K117 HydrophobicContact CE2-CD 4.28Å; Y104-K117 HydrophobicContact CE2-CG 3.87Å; Y104-A120 HydrophobicContact CD1-CB 3.39Å; Y104-A120 HydrophobicContact CE1-CB 4.15Å; Y104-A120 HydrophobicContact CG-CB 3.99Å; Y104-F121 HydrophobicContact CE1-CE1 4.23Å; Y104-L136 HydrophobicContact CE1-CD1 4.37Å; Y104-F137 WeakPolarHBondContact CE1-O 3.23Å; Y104-S138 PolarHBondContact OH-O 2.85Å; Y104-I140 HydrophobicContact CD2-CG2 4.07Å; Y104-I140 HydrophobicContact CE2-CG2 3.89Å; Y104-I140 WeakPolarHBondContact O-CA 3.35Å; Y104-T141 PolarHBondContact O-N 3.4Å; Y104-V161 WeakPolarHBondContact CA-O 3.32Å
105D97Very high97.3Very high3 Ų332 Ų322%0.01618%0.177CC..  trans-93.7-171.5172.2764000112.9R107 S116 M160 V161 T162 V257D105-R107 PolarHBondContact O-N 2.79Å; D105-R107 WeakPolarHBondContact OD1-CB 3.47Å; D105-R107 WeakPolarHBondContact OD1-CG 3.21Å; D105-R107 PolarHBondContact OD1-N 2.88Å; D105-R107 WeakPolarHBondContact OD2-CD 3.45Å; D105-R107 WeakPolarHBondContact OD2-CG 3.49Å; D105-R107 IonicContact OD2-NE 3.52Å; D105-R107 PolarHBondContact OD2-NE 3.11Å; D105-S116 VanDerWaalsContact O-CB 3.29Å; D105-S116 WeakPolarHBondContact O-CB 3.45Å; D105-S116 VanDerWaalsContact OD1-CB 3.3Å; D105-S116 WeakPolarHBondContact OD1-CB 3.46Å; D105-S116 PolarHBondContact OD1-OG 2.96Å; D105-M160 HydrophobicContact CB-CE 4.34Å; D105-V161 PolarHBondContact N-O 3.38Å; D105-T162 WeakPolarHBondContact OD2-CA 3.15Å; D105-T162 WeakPolarHBondContact OD2-CB 3.3Å; D105-T162 PolarHBondContact OD2-OG1 2.91Å; D105-V257 HydrophobicContact CB-CG1 4.08Å
106A95.9Very high97.3Very high27 Ų2731.9 Ų31.922%0.22318%0.176CC..SBendtrans-84.81.9-17600000115.3I140 P283A106-I140 HydrophobicContact CB-CG2 4.45Å; A106-P283 HydrophobicContact CB-CB 3.41Å; A106-P283 VanDerWaalsContact CB-CB 3.41Å
107R96.2Very high97.3Very high3 Ų330.8 Ų30.81%0.01117%0.172CC..  trans-63.6140.1-171.2-67.6168.7171.7-83.9-11.8112.4D105 S115 S116 S164 N166 P167 D170D105-R107 PolarHBondContact O-N 2.79Å; D105-R107 WeakPolarHBondContact OD1-CB 3.47Å; D105-R107 WeakPolarHBondContact OD1-CG 3.21Å; D105-R107 PolarHBondContact OD1-N 2.88Å; D105-R107 WeakPolarHBondContact OD2-CD 3.45Å; D105-R107 WeakPolarHBondContact OD2-CG 3.49Å; D105-R107 IonicContact OD2-NE 3.52Å; D105-R107 PolarHBondContact OD2-NE 3.11Å; R107-S115 CarbonylContact O-C 3.56Å; R107-S115 VanDerWaalsContact O-CA 3.29Å; R107-S115 WeakPolarHBondContact O-CA 3.39Å; R107-S115 WeakPolarHBondContact O-CB 3.25Å; R107-S116 WeakPolarHBondContact CB-OG 3.45Å; R107-S116 PolarHBondContact O-N 2.91Å; R107-S116 PolarHBondContact O-OG 3.18Å; R107-S164 PolarHBondContact NH2-O 2.89Å; R107-N166 PolarHBondContact NH1-O 2.84Å; R107-N166 PolarHBondContact NH2-O 2.92Å; R107-P167 PolarHBondContact NH1-O 2.94Å; R107-D170 WeakPolarHBondContact CD-O 3.4Å; R107-D170 PolarHBondContact NH1-O 3.14Å
108A97Very high97.3Very high24 Ų2427.2 Ų27.220%0.19815%0.151CC..EExtended strand (participates in β ladder)trans-148.1150.4176.800000110.8P285A108-P285 HydrophobicContact CB-CB 3.85Å; A108-P285 HydrophobicContact CB-CG 4.06Å
109H96.6Very high97.3Very high42 Ų4224.5 Ų24.519%0.19414%0.141CC..EExtended strand (participates in β ladder)trans-132.589173.2-176.6-131000109.5M65 T111 S112 G113 G114M65-H109 HydrophobicContact CB-CB 3.75Å; M65-H109 HydrophobicContact CE-CB 3.55Å; M65-H109 HydrophobicContact CG-CB 4.32Å; M65-H109 PolarHBondContact O-CE1 3.29Å; M65-H109 PolarHBondContact O-ND1 3.1Å; M65-H109 HydrophobicContact SD-CB 3.65Å; H109-T111 PolarHBondContact O-N 3.49Å; H109-T111 VanDerWaalsContact O-N 3.09Å; H109-S112 VanDerWaalsContact ND1-CB 3.35Å; H109-S112 WeakPolarHBondContact ND1-CB 3.48Å; H109-S112 PolarHBondContact ND1-OG 3.37Å; H109-S112 PolarHBondContact O-N 2.89Å; H109-S112 VanDerWaalsContact O-N 3.08Å; H109-S112 PolarHBondContact O-OG 2.59Å; H109-S112 VanDerWaalsContact O-OG 3.06Å; H109-G113 PolarHBondContact O-N 2.84Å; H109-G114 PolarHBondContact N-O 3.46Å
110P94.3Very high97.3Very high76 Ų7624.5 Ų24.549%0.49414%0.141SC..THydrogen-bonded Turntrans-52.4-36-172.5-30.436.3000114.7K29 G113K29-P110 PolarHBondContact NZ-O 3.13Å; P110-G113 PolarHBondContact O-N 3.17Å
111T94.5Very high97.2Very high91 Ų9126.3 Ų26.356%0.55815%0.149SC*.THydrogen-bonded Turntrans-61-46.1179.3-52.10000112.2L33 H109L33-T111 HydrophobicContact CD2-CG2 4.43Å; H109-T111 PolarHBondContact O-N 3.49Å; H109-T111 VanDerWaalsContact O-N 3.09Å
112S94.8Very high97.2Very high3 Ų326.4 Ų26.42%0.02115%0.149CC..THydrogen-bonded Turntrans-81.3-19.6175.768.30000113.3N27 H109 G114N27-S112 PolarHBondContact ND2-O 2.98Å; H109-S112 VanDerWaalsContact ND1-CB 3.35Å; H109-S112 WeakPolarHBondContact ND1-CB 3.48Å; H109-S112 PolarHBondContact ND1-OG 3.37Å; H109-S112 PolarHBondContact O-N 2.89Å; H109-S112 VanDerWaalsContact O-N 3.08Å; H109-S112 PolarHBondContact O-OG 2.59Å; H109-S112 VanDerWaalsContact O-OG 3.06Å; S112-G114 PolarHBondContact O-N 3.43Å; S112-G114 PolarHBondContact OG-N 2.96Å; S112-G114 VanDerWaalsContact OG-N 3.11Å
113G95.4Very high97.2Very high22 Ų2226.4 Ų26.423%0.22715%0.149CC..THydrogen-bonded Turntrans74.72.5-168.500000114.3H109 P110 R118H109-G113 PolarHBondContact O-N 2.84Å; P110-G113 PolarHBondContact O-N 3.17Å; G113-R118 VanDerWaalsContact O-CD 3.29Å; G113-R118 WeakPolarHBondContact O-CD 3.49Å
114G97.1Very high97.3Very high3 Ų326.5 Ų26.53%0.03115%0.15CC..EExtended strand (participates in β ladder)trans-74.1145.5173.400000112.2H109 S112H109-G114 PolarHBondContact N-O 3.46Å; S112-G114 PolarHBondContact O-N 3.43Å; S112-G114 PolarHBondContact OG-N 2.96Å; S112-G114 VanDerWaalsContact OG-N 3.11Å
115S98.1Very high97.3Very high29 Ų2926.4 Ų26.420%0.20315%0.15CC..EExtended strand (participates in β ladder)trans-157.2157.5169.566.70000109.9R107 K117 R118 F119R107-S115 CarbonylContact O-C 3.56Å; R107-S115 VanDerWaalsContact O-CA 3.29Å; R107-S115 WeakPolarHBondContact O-CA 3.39Å; R107-S115 WeakPolarHBondContact O-CB 3.25Å; S115-K117 VanDerWaalsContact C-N 3.26Å; S115-K117 PolarHBondContact O-N 2.92Å; S115-R118 PolarHBondContact O-N 2.78Å; S115-R118 VanDerWaalsContact O-N 3.1Å; S115-R118 WeakPolarHBondContact OG-CB 3.21Å; S115-R118 PolarHBondContact OG-N 2.93Å; S115-F119 VanDerWaalsContact O-CG 3.24Å; S115-F119 WeakPolarHBondContact O-CG 3.44Å; S115-F119 PolarHBondContact O-N 2.86Å
116S98.4Very high97.3Very high0 Ų026.2 Ų26.20%015%0.149CC..Hα-helixtrans-59.6-40.5180-55.70000111.5D105 R107 R118 F119 A120 N171D105-S116 VanDerWaalsContact O-CB 3.29Å; D105-S116 WeakPolarHBondContact O-CB 3.45Å; D105-S116 VanDerWaalsContact OD1-CB 3.3Å; D105-S116 WeakPolarHBondContact OD1-CB 3.46Å; D105-S116 PolarHBondContact OD1-OG 2.96Å; R107-S116 WeakPolarHBondContact CB-OG 3.45Å; R107-S116 PolarHBondContact O-N 2.91Å; R107-S116 PolarHBondContact O-OG 3.18Å; S116-R118 PolarHBondContact O-N 3.15Å; S116-F119 PolarHBondContact O-N 3.33Å; S116-A120 WeakPolarHBondContact O-CB 3.41Å; S116-A120 PolarHBondContact O-N 3.29Å; S116-N171 PolarHBondContact N-ND2 2.94Å; S116-N171 PolarHBondContact OG-ND2 2.9Å; S116-N171 PolarHBondContact OG-OD1 3.18Å
117K98.1Very high97.5Very high102 Ų10225 Ų2544%0.44314%0.139SC..Hα-helixtrans-57.6-48.6172.7-176.9171-174.5166.40112.4Y104 S115 F119 A120 F121Y104-K117 HydrophobicContact CD2-CB 3.94Å; Y104-K117 HydrophobicContact CE2-CB 3.66Å; Y104-K117 HydrophobicContact CE2-CD 4.28Å; Y104-K117 HydrophobicContact CE2-CG 3.87Å; S115-K117 VanDerWaalsContact C-N 3.26Å; S115-K117 PolarHBondContact O-N 2.92Å; K117-F119 VanDerWaalsContact C-N 3.34Å; K117-F119 PolarHBondContact O-N 3.45Å; K117-A120 PolarHBondContact O-N 3.37Å; K117-F121 HydrophobicContact CD-CZ 4.23Å; K117-F121 HydrophobicContact CG-CD1 4.38Å; K117-F121 HydrophobicContact CG-CE1 3.92Å; K117-F121 HydrophobicContact CG-CE2 4.16Å; K117-F121 HydrophobicContact CG-CZ 3.83Å; K117-F121 WeakPolarHBondContact O-CD1 3.42Å; K117-F121 VanDerWaalsContact O-CG 3.31Å; K117-F121 WeakPolarHBondContact O-CG 3.49Å; K117-F121 PolarHBondContact O-N 3.49Å
118R97.9Very high97.6Very high85 Ų8525.9 Ų25.932%0.32114%0.143SC..Hα-helixtrans-61.9-44.6179.6179173.3179.574.43.7111.3D74 G113 S115 S116 F121 L122D74-R118 WeakPolarHBondContact OD1-CD 3.36Å; D74-R118 IonicContact OD1-CZ 2.83Å; D74-R118 IonicContact OD1-NE 3.45Å; D74-R118 PolarHBondContact OD1-NE 3.44Å; D74-R118 IonicContact OD2-CZ 3.66Å; D74-R118 IonicContact OD2-NE 2.67Å; D74-R118 PolarHBondContact OD2-NE 3.03Å; D74-R118 IonicContact OD2-NH2 3.15Å; D74-R118 PolarHBondContact OD2-NH2 2.94Å; G113-R118 VanDerWaalsContact O-CD 3.29Å; G113-R118 WeakPolarHBondContact O-CD 3.49Å; S115-R118 PolarHBondContact O-N 2.78Å; S115-R118 VanDerWaalsContact O-N 3.1Å; S115-R118 WeakPolarHBondContact OG-CB 3.21Å; S115-R118 PolarHBondContact OG-N 2.93Å; S116-R118 PolarHBondContact O-N 3.15Å; R118-F121 PolarHBondContact O-N 3.31Å; R118-L122 HydrophobicContact CG-CD1 4.22Å; R118-L122 WeakPolarHBondContact O-CG 3.26Å; R118-L122 PolarHBondContact O-N 2.88Å
119F98.7Very high97.6Very high0 Ų026.9 Ų26.90%015%0.149CC..Hα-helixtrans-65.2-41.5179-65-15.6000112M65 M72 D74 I77 S115 S116 K117 F121 L122 A123 V161 N171M65-F119 HydrophobicContact CG-CE2 4.1Å; M65-F119 HydrophobicContact CG-CZ 4.3Å; M65-F119 HydrophobicContact SD-CE2 4.08Å; M65-F119 HydrophobicContact SD-CZ 4.38Å; M72-F119 HydrophobicContact CB-CE2 4.24Å; D74-F119 WeakPolarHBondContact OD1-CE1 3.43Å; I77-F119 HydrophobicContact CD1-CB 3.87Å; I77-F119 HydrophobicContact CD1-CD2 4.15Å; I77-F119 HydrophobicContact CD1-CG 3.99Å; I77-F119 HydrophobicContact CG1-CB 3.78Å; I77-F119 HydrophobicContact CG1-CD1 3.78Å; I77-F119 HydrophobicContact CG1-CD2 4.09Å; I77-F119 HydrophobicContact CG1-CE1 4.38Å; I77-F119 HydrophobicContact CG1-CG 3.61Å; I77-F119 HydrophobicContact CG2-CB 4.28Å; I77-F119 WeakPolarHBondContact CG2-O 3.24Å; S115-F119 VanDerWaalsContact O-CG 3.24Å; S115-F119 WeakPolarHBondContact O-CG 3.44Å; S115-F119 PolarHBondContact O-N 2.86Å; S116-F119 PolarHBondContact O-N 3.33Å; K117-F119 VanDerWaalsContact C-N 3.34Å; K117-F119 PolarHBondContact O-N 3.45Å; F119-F121 VanDerWaalsContact C-N 3.3Å; F119-F121 PolarHBondContact O-N 2.96Å; F119-L122 PolarHBondContact O-N 3.4Å; F119-A123 PolarHBondContact O-N 3.07Å; F119-V161 HydrophobicContact CB-CG1 3.84Å; F119-V161 HydrophobicContact CD2-CG1 4.18Å; F119-N171 HydrophobicContact CD2-CB 4.49Å; F119-N171 HydrophobicContact CE2-CB 4.08Å
120A98.8Very high97.7Very high0 Ų028.5 Ų28.50%015%0.154CC..Hα-helixtrans-60.2-40.4173.800000112.3I102 Y104 S116 K117 A123 A124 L136 V161I102-A120 HydrophobicContact CG2-CB 3.77Å; Y104-A120 HydrophobicContact CD1-CB 3.39Å; Y104-A120 HydrophobicContact CE1-CB 4.15Å; Y104-A120 HydrophobicContact CG-CB 3.99Å; S116-A120 WeakPolarHBondContact O-CB 3.41Å; S116-A120 PolarHBondContact O-N 3.29Å; K117-A120 PolarHBondContact O-N 3.37Å; A120-A123 PolarHBondContact O-N 2.95Å; A120-A124 PolarHBondContact O-N 3.19Å; A120-L136 HydrophobicContact CB-CD1 4.05Å; A120-V161 HydrophobicContact CB-CG2 4.13Å
121F98.6Very high97.9Very high39 Ų3926.2 Ų26.217%0.17114%0.144CC..Hα-helixtrans-68-38.4179.2-71.611.2000112Y104 K117 R118 F119 A124 A125 L136 T208 L212Y104-F121 HydrophobicContact CE1-CE1 4.23Å; K117-F121 HydrophobicContact CD-CZ 4.23Å; K117-F121 HydrophobicContact CG-CD1 4.38Å; K117-F121 HydrophobicContact CG-CE1 3.92Å; K117-F121 HydrophobicContact CG-CE2 4.16Å; K117-F121 HydrophobicContact CG-CZ 3.83Å; K117-F121 WeakPolarHBondContact O-CD1 3.42Å; K117-F121 VanDerWaalsContact O-CG 3.31Å; K117-F121 WeakPolarHBondContact O-CG 3.49Å; K117-F121 PolarHBondContact O-N 3.49Å; R118-F121 PolarHBondContact O-N 3.31Å; F119-F121 VanDerWaalsContact C-N 3.3Å; F119-F121 PolarHBondContact O-N 2.96Å; F121-A124 PolarHBondContact O-N 3.36Å; F121-A125 PolarHBondContact O-N 2.93Å; F121-L136 HydrophobicContact CD1-CD1 4.34Å; F121-L136 HydrophobicContact CD1-CD2 3.68Å; F121-L136 HydrophobicContact CD1-CG 4.5Å; F121-L136 HydrophobicContact CE1-CD2 3.8Å; F121-L136 HydrophobicContact CE1-CG 4.43Å; F121-T208 HydrophobicContact CB-CG2 4.06Å; F121-L212 HydrophobicContact CD1-CD2 4.38Å; F121-L212 HydrophobicContact CD2-CD1 3.67Å; F121-L212 HydrophobicContact CD2-CD2 4.22Å; F121-L212 HydrophobicContact CD2-CG 4.45Å; F121-L212 HydrophobicContact CE1-CD2 4.36Å; F121-L212 HydrophobicContact CE2-CD1 3.72Å; F121-L212 HydrophobicContact CE2-CD2 4.19Å; F121-L212 HydrophobicContact CG-CD1 4.41Å; F121-L212 HydrophobicContact CG-CD2 4.29Å; F121-L212 HydrophobicContact CZ-CD2 4.24Å
122L98.8Very high98.1Very high1 Ų121.9 Ų21.91%0.00512%0.117CC..Hα-helixtrans-65.4-42.2173.7-71.5168.3000111.7D74 I77 I78 R118 F119 A124 A125 V126 W206 T208D74-L122 HydrophobicContact CB-CD1 3.51Å; I77-L122 HydrophobicContact CG2-CB 4.03Å; I78-L122 HydrophobicContact CD1-CD2 4.12Å; I78-L122 HydrophobicContact CG1-CB 4.34Å; I78-L122 HydrophobicContact CG1-CD2 4.31Å; R118-L122 HydrophobicContact CG-CD1 4.22Å; R118-L122 WeakPolarHBondContact O-CG 3.26Å; R118-L122 PolarHBondContact O-N 2.88Å; F119-L122 PolarHBondContact O-N 3.4Å; L122-A124 VanDerWaalsContact C-N 3.34Å; L122-A124 PolarHBondContact O-N 3.32Å; L122-A125 PolarHBondContact O-N 2.9Å; L122-V126 WeakPolarHBondContact O-CG2 3.49Å; L122-V126 PolarHBondContact O-N 3.5Å; L122-V126 VanDerWaalsContact O-N 3.08Å; L122-W206 HydrophobicContact CD2-CE3 4.44Å; L122-T208 HydrophobicContact CD2-CG2 3.62Å; L122-T208 HydrophobicContact CG-CG2 4.02Å
123A98.9Very high98.3Very high0 Ų022.4 Ų22.40%012%0.12CC..Hα-helixtrans-60.7-44174.800000111.4I77 T81 I102 F119 A120 A125 V126 F127 Y173I77-A123 HydrophobicContact CG2-CB 4.34Å; T81-A123 HydrophobicContact CG2-CB 4.05Å; I102-A123 HydrophobicContact CD1-CB 3.92Å; F119-A123 PolarHBondContact O-N 3.07Å; A120-A123 PolarHBondContact O-N 2.95Å; A123-A125 PolarHBondContact O-N 3.36Å; A123-V126 PolarHBondContact O-N 3.09Å; A123-F127 VanDerWaalsContact O-CD2 3.31Å; A123-F127 WeakPolarHBondContact O-CD2 3.45Å; A123-F127 PolarHBondContact O-N 3.39Å; A123-Y173 HydrophobicContact CB-CE2 4.3Å
124A98.8Very high98.4Very high2 Ų221.3 Ų21.32%0.01711%0.11CC..Hα-helixtrans-59.7-44.3174.700000112.3I102 A120 F121 L122 V126 F127 I128 V134 L136 L217I102-A124 HydrophobicContact CD1-CB 4.07Å; A120-A124 PolarHBondContact O-N 3.19Å; F121-A124 PolarHBondContact O-N 3.36Å; L122-A124 VanDerWaalsContact C-N 3.34Å; L122-A124 PolarHBondContact O-N 3.32Å; A124-V126 VanDerWaalsContact C-N 3.31Å; A124-V126 PolarHBondContact O-N 2.89Å; A124-F127 PolarHBondContact O-N 3.23Å; A124-I128 WeakPolarHBondContact O-CB 3.29Å; A124-I128 WeakPolarHBondContact O-CG1 3.47Å; A124-I128 PolarHBondContact O-N 2.59Å; A124-V134 HydrophobicContact CB-CG1 3.95Å; A124-L136 HydrophobicContact CB-CD2 4.06Å; A124-L217 HydrophobicContact CB-CD1 4.41Å
125A98.6Very high98.5Very high2 Ų222.4 Ų22.42%0.01711%0.114CC..Hα-helixtrans-59.9-40178.200000112.7F121 L122 A123 S129 T208 A211F121-A125 PolarHBondContact O-N 2.93Å; L122-A125 PolarHBondContact O-N 2.9Å; A123-A125 PolarHBondContact O-N 3.36Å; A125-S129 WeakPolarHBondContact O-CB 3.48Å; A125-S129 PolarHBondContact O-N 3.46Å; A125-T208 HydrophobicContact CB-CG2 4.3Å; A125-A211 HydrophobicContact CB-CB 3.67Å
126V98.8Very high98.6Very high0 Ų021.4 Ų21.40%011%0.106CC..Hα-helixtrans-60.2-51.9175.4172.30000111.3I78 T81 Q82 L122 A123 A124 S129 W202I78-V126 HydrophobicContact CB-CG2 4.43Å; I78-V126 HydrophobicContact CG1-CG2 4.37Å; I78-V126 HydrophobicContact CG2-CG2 4.16Å; T81-V126 HydrophobicContact CG2-CB 3.77Å; T81-V126 HydrophobicContact CG2-CG1 3.75Å; T81-V126 HydrophobicContact CG2-CG2 4.43Å; Q82-V126 HydrophobicContact CB-CG1 4.42Å; Q82-V126 HydrophobicContact CG-CG1 3.73Å; Q82-V126 HydrophobicContact CG-CG2 4.34Å; L122-V126 WeakPolarHBondContact O-CG2 3.49Å; L122-V126 PolarHBondContact O-N 3.5Å; L122-V126 VanDerWaalsContact O-N 3.08Å; A123-V126 PolarHBondContact O-N 3.09Å; A124-V126 VanDerWaalsContact C-N 3.31Å; A124-V126 PolarHBondContact O-N 2.89Å; V126-S129 PolarHBondContact O-N 3.43Å; V126-S129 PolarHBondContact O-OG 3.21Å; V126-W202 HydrophobicContact CG1-CE3 4.14Å; V126-W202 HydrophobicContact CG1-CZ3 3.72Å
127F98.8Very high98.6Very high0 Ų021.4 Ų21.40%011%0.106CC..Hα-helixtrans-62.5-44.7179.5-79.7-65.3000112.7T81 F84 C85 L88 V100 I102 A123 A124 S129 R130 G131 V132 V134 I159T81-F127 HydrophobicContact CG2-CD2 3.66Å; T81-F127 HydrophobicContact CG2-CE2 3.31Å; T81-F127 HydrophobicContact CG2-CG 4.48Å; T81-F127 HydrophobicContact CG2-CZ 3.9Å; F84-F127 AromaticContact CD1-CZ 3.83Å; F84-F127 HydrophobicContact CD1-CZ 3.83Å; F84-F127 HydrophobicContact CE1-CZ 4.25Å; C85-F127 HydrophobicContact CB-CD1 3.88Å; C85-F127 HydrophobicContact CB-CE1 3.58Å; C85-F127 HydrophobicContact CB-CZ 4.36Å; L88-F127 HydrophobicContact CD1-CE1 3.84Å; L88-F127 HydrophobicContact CD1-CZ 4.02Å; V100-F127 HydrophobicContact CG1-CE1 4.21Å; V100-F127 HydrophobicContact CG1-CZ 4.3Å; V100-F127 HydrophobicContact CG2-CD1 4.26Å; V100-F127 HydrophobicContact CG2-CD2 3.79Å; V100-F127 HydrophobicContact CG2-CE1 4.42Å; V100-F127 HydrophobicContact CG2-CE2 3.96Å; V100-F127 HydrophobicContact CG2-CG 3.95Å; V100-F127 HydrophobicContact CG2-CZ 4.28Å; I102-F127 HydrophobicContact CD1-CD2 4.22Å; A123-F127 VanDerWaalsContact O-CD2 3.31Å; A123-F127 WeakPolarHBondContact O-CD2 3.45Å; A123-F127 PolarHBondContact O-N 3.39Å; A124-F127 PolarHBondContact O-N 3.23Å; F127-S129 VanDerWaalsContact C-N 3.28Å; F127-S129 PolarHBondContact O-N 2.78Å; F127-R130 WeakPolarHBondContact O-CA 3.16Å; F127-R130 WeakPolarHBondContact O-CB 3.05Å; F127-R130 PolarHBondContact O-N 3.27Å; F127-G131 PolarHBondContact O-N 2.9Å; F127-V132 HydrophobicContact CB-CB 4.08Å; F127-V132 HydrophobicContact CB-CG1 4.38Å; F127-V132 HydrophobicContact CD1-CB 4.08Å; F127-V132 HydrophobicContact CD1-CG1 3.94Å; F127-V132 HydrophobicContact CD1-CG2 4.32Å; F127-V132 HydrophobicContact CG-CG1 4.48Å; F127-V132 WeakPolarHBondContact O-CB 3.39Å; F127-V132 PolarHBondContact O-N 3.26Å; F127-V134 HydrophobicContact CB-CG2 3.46Å; F127-V134 VanDerWaalsContact CB-CG2 3.46Å; F127-V134 HydrophobicContact CG-CG2 4.31Å; F127-I159 HydrophobicContact CE2-CD1 3.57Å; F127-I159 HydrophobicContact CZ-CD1 4.23Å
128I98.6Very high98.3Very high22 Ų2219.1 Ų19.111%0.11310%0.103CC..Hα-helixtrans-62.8-37.8179.4-72.8169.9000110.9A124 R130 G131 V134 A211 A214 L216 L217A124-I128 WeakPolarHBondContact O-CB 3.29Å; A124-I128 WeakPolarHBondContact O-CG1 3.47Å; A124-I128 PolarHBondContact O-N 2.59Å; I128-R130 PolarHBondContact O-N 2.9Å; I128-G131 PolarHBondContact O-N 2.89Å; I128-V134 HydrophobicContact CD1-CB 4.37Å; I128-V134 HydrophobicContact CD1-CG2 4.34Å; I128-V134 HydrophobicContact CG1-CB 4.34Å; I128-V134 HydrophobicContact CG1-CG2 3.85Å; I128-A211 HydrophobicContact CB-CB 4.45Å; I128-A211 HydrophobicContact CD1-CB 4.09Å; I128-A211 WeakPolarHBondContact CD1-O 3.2Å; I128-A211 HydrophobicContact CG2-CB 4.42Å; I128-A214 HydrophobicContact CD1-CB 4.35Å; I128-A214 HydrophobicContact CG2-CB 3.66Å; I128-L216 HydrophobicContact CG1-CB 4.32Å; I128-L217 HydrophobicContact CD1-CB 3.95Å; I128-L217 HydrophobicContact CD1-CD1 3.85Å; I128-L217 HydrophobicContact CD1-CG 4.46Å
129S97.8Very high98.2Very high46 Ų4620.1 Ų20.132%0.32211%0.111SC..Hα-helixtrans-61.3-17.9175.579.10000113.8A125 V126 F127A125-S129 WeakPolarHBondContact O-CB 3.48Å; A125-S129 PolarHBondContact O-N 3.46Å; V126-S129 PolarHBondContact O-N 3.43Å; V126-S129 PolarHBondContact O-OG 3.21Å; F127-S129 VanDerWaalsContact C-N 3.28Å; F127-S129 PolarHBondContact O-N 2.78Å
130R97.9Very high98Very high76 Ų7622.5 Ų22.529%0.28712%0.124SC..THydrogen-bonded Turntrans-1013.4176.2-61.7-62.3-61.2162.15.6113.5E89 K96 F127 I128 V132 W202E89-R130 IonicContact OE1-CZ 3.7Å; E89-R130 IonicContact OE1-NE 3Å; E89-R130 PolarHBondContact OE1-NE 3.45Å; E89-R130 IonicContact OE1-NH2 2.64Å; E89-R130 PolarHBondContact OE1-NH2 2.9Å; E89-R130 IonicContact OE2-NH2 3.37Å; E89-R130 PolarHBondContact OE2-NH2 3.46Å; K96-R130 VanDerWaalsContact CE-O 3.28Å; K96-R130 WeakPolarHBondContact CE-O 3.38Å; K96-R130 PolarHBondContact NZ-O 3.22Å; F127-R130 WeakPolarHBondContact O-CA 3.16Å; F127-R130 WeakPolarHBondContact O-CB 3.05Å; F127-R130 PolarHBondContact O-N 3.27Å; I128-R130 PolarHBondContact O-N 2.9Å; R130-V132 VanDerWaalsContact C-N 3.33Å; R130-V132 HydrophobicContact CB-CG2 4.25Å; R130-W202 HydrophobicContact CG-CE3 3.75Å; R130-W202 HydrophobicContact CG-CH2 3.88Å; R130-W202 HydrophobicContact CG-CZ3 3.17Å
131G98.1Very high97.8Very high28 Ų2822.5 Ų22.529%0.28912%0.124SC..THydrogen-bonded Turntrans72.625.7-177.100000113.3F127 I128F127-G131 PolarHBondContact O-N 2.9Å; I128-G131 PolarHBondContact O-N 2.89Å
132V98.8Very high97.8Very high0 Ų020.7 Ų20.70%012%0.116CC..  trans-91.9126.2175.4179.50000108.8L95 V100 F127 R130L95-V132 HydrophobicContact CD1-CG1 3.93Å; L95-V132 HydrophobicContact CD2-CG1 4.47Å; L95-V132 HydrophobicContact CD2-CG2 3.82Å; L95-V132 HydrophobicContact CG-CG1 3.95Å; L95-V132 HydrophobicContact CG-CG2 3.94Å; V100-V132 HydrophobicContact CG1-CG1 4.5Å; F127-V132 HydrophobicContact CB-CB 4.08Å; F127-V132 HydrophobicContact CB-CG1 4.38Å; F127-V132 HydrophobicContact CD1-CB 4.08Å; F127-V132 HydrophobicContact CD1-CG1 3.94Å; F127-V132 HydrophobicContact CD1-CG2 4.32Å; F127-V132 HydrophobicContact CG-CG1 4.48Å; F127-V132 WeakPolarHBondContact O-CB 3.39Å; F127-V132 PolarHBondContact O-N 3.26Å; R130-V132 VanDerWaalsContact C-N 3.33Å; R130-V132 HydrophobicContact CB-CG2 4.25Å
133P98.8Very high97.8Very high13 Ų1320.6 Ų20.68%0.08412%0.115CC..  trans-60.3139.8172.7-20.831000111.8K96 G99 V100 L216K96-P133 VanDerWaalsContact O-CD 3.23Å; K96-P133 WeakPolarHBondContact O-CD 3.47Å; K96-P133 VanDerWaalsContact O-CG 3.23Å; K96-P133 WeakPolarHBondContact O-CG 3.35Å; G99-P133 CarbonylContact C-O 3.47Å; G99-P133 WeakPolarHBondContact CA-O 3.4Å; V100-P133 PolarHBondContact N-O 3.42Å; P133-L216 WeakPolarHBondContact CA-O 3.35Å; P133-L216 HydrophobicContact CG-CD2 4.14Å
134V98.9Very high97.7Very high0 Ų020.6 Ų20.60%012%0.115CC..EExtended strand (participates in β ladder)trans-127.5124.7-179.41800000110.2V100 I102 A124 F127 I128 L136 L216 L217 K218V100-V134 HydrophobicContact CG2-CG2 4.07Å; V100-V134 WeakPolarHBondContact O-CA 3.41Å; I102-V134 HydrophobicContact CD1-CG1 3.78Å; I102-V134 HydrophobicContact CG1-CG1 4.07Å; A124-V134 HydrophobicContact CB-CG1 3.95Å; F127-V134 HydrophobicContact CB-CG2 3.46Å; F127-V134 VanDerWaalsContact CB-CG2 3.46Å; F127-V134 HydrophobicContact CG-CG2 4.31Å; I128-V134 HydrophobicContact CD1-CB 4.37Å; I128-V134 HydrophobicContact CD1-CG2 4.34Å; I128-V134 HydrophobicContact CG1-CB 4.34Å; I128-V134 HydrophobicContact CG1-CG2 3.85Å; V134-L136 HydrophobicContact CG1-CB 4.14Å; V134-L216 PolarHBondContact N-O 2.96Å; V134-L217 HydrophobicContact CB-CD1 4Å; V134-L217 HydrophobicContact CG1-CD1 3.98Å; V134-L217 CarbonylContact O-C 3.52Å; V134-L217 WeakPolarHBondContact O-CA 3.14Å; V134-K218 PolarHBondContact O-N 2.9Å
135H98.9Very high97.7Very high25 Ų2520.5 Ų20.512%0.11612%0.115CC..EExtended strand (participates in β ladder)trans-9295.9165.9-70.1-100.9000108.6V100 V101 I102 L155 K218 P220V100-H135 PolarHBondContact O-N 3.31Å; V101-H135 CarbonylContact C-O 3.56Å; V101-H135 WeakPolarHBondContact CA-O 3.23Å; V101-H135 HydrophobicContact CB-CB 4.04Å; V101-H135 HydrophobicContact CG2-CB 4.16Å; V101-H135 WeakPolarHBondContact CG2-O 3.4Å; I102-H135 PolarHBondContact N-O 3.29Å; H135-L155 HydrophobicContact CB-CD1 4.45Å; H135-K218 CarbonylContact C-O 3.51Å; H135-K218 VanDerWaalsContact CA-O 3.27Å; H135-K218 WeakPolarHBondContact CA-O 3.27Å; H135-P220 HydrophobicContact CB-CB 4.31Å; H135-P220 HydrophobicContact CB-CG 4.04Å
136L98.8Very high97.7Very high8 Ų820.4 Ų20.44%0.04211%0.114CC..EExtended strand (participates in β ladder)trans-103.8120.1-178.9175.464.7000109.3I102 Y104 A120 F121 A124 V134 S138 L212 L217 K218 P220I102-L136 HydrophobicContact CB-CD1 3.89Å; I102-L136 HydrophobicContact CG2-CD1 4Å; Y104-L136 HydrophobicContact CE1-CD1 4.37Å; A120-L136 HydrophobicContact CB-CD1 4.05Å; F121-L136 HydrophobicContact CD1-CD1 4.34Å; F121-L136 HydrophobicContact CD1-CD2 3.68Å; F121-L136 HydrophobicContact CD1-CG 4.5Å; F121-L136 HydrophobicContact CE1-CD2 3.8Å; F121-L136 HydrophobicContact CE1-CG 4.43Å; A124-L136 HydrophobicContact CB-CD2 4.06Å; V134-L136 HydrophobicContact CG1-CB 4.14Å; L136-S138 PolarHBondContact O-N 3.2Å; L136-L212 HydrophobicContact CD2-CD2 3.86Å; L136-L217 HydrophobicContact CB-CD1 3.58Å; L136-L217 HydrophobicContact CB-CG 4.48Å; L136-L217 HydrophobicContact CD2-CD1 4.03Å; L136-L217 HydrophobicContact CD2-CD2 4.41Å; L136-L217 HydrophobicContact CG-CD1 4.48Å; L136-K218 PolarHBondContact N-O 3.18Å; L136-P220 WeakPolarHBondContact O-CD 3.24Å
137F98.4Very high97.7Very high0 Ų020.4 Ų20.40%011%0.114CC..  trans-61.5125.7173.5-74.6-78000110.4V101 I102 Y104 E139 T141 F145 V146 T149 P220 F221 V224V101-F137 HydrophobicContact CG2-CD2 4.1Å; V101-F137 HydrophobicContact CG2-CE2 3.59Å; V101-F137 HydrophobicContact CG2-CZ 4.45Å; I102-F137 WeakPolarHBondContact O-CD2 3.27Å; I102-F137 PolarHBondContact O-N 3.06Å; Y104-F137 WeakPolarHBondContact CE1-O 3.23Å; F137-E139 VanDerWaalsContact C-N 3.26Å; F137-E139 PolarHBondContact O-N 2.84Å; F137-T141 HydrophobicContact CB-CG2 3.8Å; F137-T141 HydrophobicContact CD1-CG2 3.49Å; F137-T141 VanDerWaalsContact CD1-CG2 3.49Å; F137-T141 HydrophobicContact CD2-CG2 4.19Å; F137-T141 HydrophobicContact CE1-CG2 4.02Å; F137-T141 HydrophobicContact CG-CG2 3.56Å; F137-F145 HydrophobicContact CE1-CD1 4.11Å; F137-F145 HydrophobicContact CE2-CB 4.49Å; F137-F145 HydrophobicContact CZ-CB 4.06Å; F137-F145 HydrophobicContact CZ-CD1 4.27Å; F137-V146 HydrophobicContact CE2-CG2 4.4Å; F137-T149 WeakPolarHBondContact CZ-OG1 3.43Å; F137-P220 HydrophobicContact CD1-CG 3.79Å; F137-P220 HydrophobicContact CD2-CG 4.23Å; F137-P220 HydrophobicContact CE1-CB 4.42Å; F137-P220 HydrophobicContact CE1-CG 3.73Å; F137-P220 HydrophobicContact CE2-CG 4.15Å; F137-P220 HydrophobicContact CG-CG 4.07Å; F137-P220 HydrophobicContact CZ-CG 3.91Å; F137-F221 HydrophobicContact CD1-CB 4.01Å; F137-F221 AromaticContact CD1-CD2 3.98Å; F137-F221 HydrophobicContact CD1-CD2 3.98Å; F137-F221 HydrophobicContact CE1-CD2 4.5Å; F137-V224 HydrophobicContact CE1-CB 4.09Å; F137-V224 HydrophobicContact CE1-CG1 4.09Å; F137-V224 HydrophobicContact CE1-CG2 4.44Å; F137-V224 HydrophobicContact CZ-CB 4.25Å; F137-V224 HydrophobicContact CZ-CG1 3.95Å; F137-V224 HydrophobicContact CZ-CG2 4.33Å
138S93.2Very high97.7Very high55 Ų5520.9 Ų20.939%0.38512%0.116SC..SBendtrans-73.6-22.1179.662.60000113.4Y104 L136 D219Y104-S138 PolarHBondContact OH-O 2.85Å; L136-S138 PolarHBondContact O-N 3.2Å; S138-D219 WeakPolarHBondContact CB-OD2 3.42Å; S138-D219 PolarHBondContact N-OD1 3.16Å; S138-D219 VanDerWaalsContact OG-CG 3.29Å; S138-D219 PolarHBondContact OG-OD1 2.84Å; S138-D219 PolarHBondContact OG-OD2 3.11Å
139E94.4Very high97.7Very high105 Ų10519.8 Ų19.849%0.49111%0.11SC..SBendtrans-114166.6178.8-61-164.8-167.600111.8F137 F221F137-E139 VanDerWaalsContact C-N 3.26Å; F137-E139 PolarHBondContact O-N 2.84Å; E139-F221 HydrophobicContact CB-CD2 4.21Å; E139-F221 HydrophobicContact CB-CE2 4Å; E139-F221 HydrophobicContact CB-CZ 4.22Å; E139-F221 HydrophobicContact CG-CE1 4.43Å; E139-F221 HydrophobicContact CG-CZ 4.47Å
140I95.6Very high97.7Very high51 Ų5117.6 Ų17.626%0.26210%0.095SC..  trans-62.1141.7168.554.6175.4000110Y104 A106 V257 P283Y104-I140 HydrophobicContact CD2-CG2 4.07Å; Y104-I140 HydrophobicContact CE2-CG2 3.89Å; Y104-I140 WeakPolarHBondContact O-CA 3.35Å; A106-I140 HydrophobicContact CB-CG2 4.45Å; I140-V257 HydrophobicContact CB-CG1 4.08Å; I140-V257 HydrophobicContact CD1-CB 4.48Å; I140-V257 HydrophobicContact CD1-CG1 4.14Å; I140-V257 HydrophobicContact CG1-CG1 4.44Å; I140-P283 HydrophobicContact CD1-CB 3.93Å; I140-P283 HydrophobicContact CD1-CG 3.21Å
141T95.1Very high97.7Very high0 Ų016.6 Ų16.60%010%0.1CC..  trans-139.1147.5-175.952.70000111.7Y104 F137 F145 M160 F221Y104-T141 PolarHBondContact O-N 3.4Å; F137-T141 HydrophobicContact CB-CG2 3.8Å; F137-T141 HydrophobicContact CD1-CG2 3.49Å; F137-T141 VanDerWaalsContact CD1-CG2 3.49Å; F137-T141 HydrophobicContact CD2-CG2 4.19Å; F137-T141 HydrophobicContact CE1-CG2 4.02Å; F137-T141 HydrophobicContact CG-CG2 3.56Å; T141-F145 HydrophobicContact CG2-CD1 4.42Å; T141-M160 WeakPolarHBondContact O-CE 3.39Å; T141-F221 HydrophobicContact CG2-CD2 3.96Å; T141-F221 HydrophobicContact CG2-CE2 4.1Å
142P97.8Very high97.7Very high0 Ų019 Ų190%010%0.103CC..  trans-67.6147.8172.733.3-37.6000109.8P144 F145 V257 F261 D323 A324 V440P142-P144 VanDerWaalsContact C-CD 3.43Å; P142-P144 VanDerWaalsContact C-N 3.33Å; P142-P144 HydrophobicContact CB-CG 4.05Å; P142-P144 HydrophobicContact CG-CG 4.35Å; P142-F145 HydrophobicContact CG-CD2 3.47Å; P142-F145 VanDerWaalsContact CG-CD2 3.47Å; P142-F145 HydrophobicContact CG-CE2 3.76Å; P142-F145 HydrophobicContact CG-CG 4.05Å; P142-F145 WeakPolarHBondContact O-CB 3.45Å; P142-F145 PolarHBondContact O-N 3.03Å; P142-F145 VanDerWaalsContact O-N 3.09Å; P142-V257 HydrophobicContact CB-CG2 3.96Å; P142-F261 VanDerWaalsContact CD-CE2 3.5Å; P142-F261 VanDerWaalsContact CD-CZ 3.41Å; P142-F261 HydrophobicContact CG-CB 4.41Å; P142-F261 HydrophobicContact CG-CD1 3.9Å; P142-F261 HydrophobicContact CG-CD2 4.09Å; P142-F261 HydrophobicContact CG-CE1 4.18Å; P142-F261 HydrophobicContact CG-CE2 4.38Å; P142-F261 HydrophobicContact CG-CG 3.85Å; P142-F261 HydrophobicContact CG-CZ 4.41Å; P142-D323 WeakPolarHBondContact CA-O 3.32Å; P142-A324 HydrophobicContact CB-CB 3.94Å; P142-V440 HydrophobicContact CB-CG2 4.15Å; P142-V440 HydrophobicContact CG-CG2 4.35Å
143T98.2Very high97.7Very high0 Ų022 Ų220%012%0.119CC..THydrogen-bonded Turntrans-47-44.9177.8-74.90000114F145 V146 P147 M160 Y176 D323 D325T143-F145 PolarHBondContact O-N 3.32Å; T143-F145 VanDerWaalsContact O-N 3.07Å; T143-V146 PolarHBondContact O-N 3.19Å; T143-P147 WeakPolarHBondContact O-CD 3.1Å; T143-M160 HydrophobicContact CG2-CG 4.37Å; T143-M160 WeakPolarHBondContact OG1-CG 3.38Å; T143-Y176 VanDerWaalsContact CG2-OH 3.22Å; T143-Y176 WeakPolarHBondContact CG2-OH 3.33Å; T143-D323 PolarHBondContact N-O 3.03Å; T143-D323 WeakPolarHBondContact OG1-CB 3.4Å; T143-D323 VanDerWaalsContact OG1-CG 3.27Å; T143-D323 PolarHBondContact OG1-OD2 2.88Å; T143-D325 HydrophobicContact CG2-CB 4.08Å
144P98.1Very high97.7Very high0 Ų022.9 Ų22.90%013%0.13CC..THydrogen-bonded Turntrans-57.8-22-179.719.9-36000115.8P142 V146 P147 F148 V434 D438P142-P144 VanDerWaalsContact C-CD 3.43Å; P142-P144 VanDerWaalsContact C-N 3.33Å; P142-P144 HydrophobicContact CB-CG 4.05Å; P142-P144 HydrophobicContact CG-CG 4.35Å; P144-V146 VanDerWaalsContact C-N 3.32Å; P144-V146 PolarHBondContact O-N 3.29Å; P144-P147 WeakPolarHBondContact O-CD 3.4Å; P144-P147 WeakPolarHBondContact O-CG 3.38Å; P144-F148 VanDerWaalsContact O-CB 3.28Å; P144-F148 WeakPolarHBondContact O-CB 3.5Å; P144-F148 PolarHBondContact O-N 2.93Å; P144-V434 HydrophobicContact CB-CG1 3.89Å; P144-V434 HydrophobicContact CB-CG2 4.42Å; P144-D438 HydrophobicContact CB-CB 3.9Å; P144-D438 HydrophobicContact CG-CB 4.33Å
145F98.5Very high97.6Very high0 Ų023 Ų230%013%0.131CC..Hα-helixtrans-67.3-32.5179.4-88.3-137000112.6F137 T141 P142 T143 T149 V224 N225 Y228 F229 F261F137-F145 HydrophobicContact CE1-CD1 4.11Å; F137-F145 HydrophobicContact CE2-CB 4.49Å; F137-F145 HydrophobicContact CZ-CB 4.06Å; F137-F145 HydrophobicContact CZ-CD1 4.27Å; T141-F145 HydrophobicContact CG2-CD1 4.42Å; P142-F145 HydrophobicContact CG-CD2 3.47Å; P142-F145 VanDerWaalsContact CG-CD2 3.47Å; P142-F145 HydrophobicContact CG-CE2 3.76Å; P142-F145 HydrophobicContact CG-CG 4.05Å; P142-F145 WeakPolarHBondContact O-CB 3.45Å; P142-F145 PolarHBondContact O-N 3.03Å; P142-F145 VanDerWaalsContact O-N 3.09Å; T143-F145 PolarHBondContact O-N 3.32Å; T143-F145 VanDerWaalsContact O-N 3.07Å; F145-T149 WeakPolarHBondContact O-CB 3.44Å; F145-T149 PolarHBondContact O-N 3.48Å; F145-T149 PolarHBondContact O-OG1 3.2Å; F145-V224 HydrophobicContact CD1-CG1 3.67Å; F145-V224 HydrophobicContact CE1-CG1 4.12Å; F145-V224 HydrophobicContact CG-CG1 4.25Å; F145-N225 HydrophobicContact CE1-CB 4.14Å; F145-Y228 HydrophobicContact CD2-CD1 4.28Å; F145-Y228 HydrophobicContact CD2-CD2 4.19Å; F145-Y228 HydrophobicContact CD2-CE2 4.4Å; F145-Y228 HydrophobicContact CD2-CG 4.13Å; F145-Y228 AromaticContact CE2-CD1 3.37Å; F145-Y228 HydrophobicContact CE2-CD1 3.37Å; F145-Y228 HydrophobicContact CE2-CD2 4.06Å; F145-Y228 AromaticContact CE2-CE1 3.66Å; F145-Y228 HydrophobicContact CE2-CE1 3.66Å; F145-Y228 HydrophobicContact CE2-CE2 4.3Å; F145-Y228 AromaticContact CE2-CG 3.59Å; F145-Y228 HydrophobicContact CE2-CG 3.59Å; F145-Y228 AromaticContact CZ-CD1 3.75Å; F145-Y228 HydrophobicContact CZ-CD1 3.75Å; F145-Y228 HydrophobicContact CZ-CE1 4.39Å; F145-Y228 HydrophobicContact CZ-CG 4.02Å; F145-F229 HydrophobicContact CZ-CE2 4.39Å; F145-F229 HydrophobicContact CZ-CZ 4.46Å; F145-F261 HydrophobicContact CD1-CE1 4.41Å; F145-F261 HydrophobicContact CE1-CD1 4.11Å; F145-F261 AromaticContact CE1-CE1 3.72Å; F145-F261 HydrophobicContact CE1-CE1 3.72Å; F145-F261 AromaticContact CE2-CD1 3.86Å; F145-F261 HydrophobicContact CE2-CD1 3.86Å; F145-F261 HydrophobicContact CE2-CE1 4.23Å; F145-F261 AromaticContact CZ-CD1 3.5Å; F145-F261 HydrophobicContact CZ-CD1 3.5Å; F145-F261 AromaticContact CZ-CE1 3.62Å; F145-F261 HydrophobicContact CZ-CE1 3.62Å
146V98.7Very high97.6Very high0 Ų021.8 Ų21.80%013%0.125CC..Hα-helixtrans-65.5-60.2-179.8174.60000111.6V101 F137 T143 P144 F148 T149 V150 M160 Y176V101-V146 HydrophobicContact CG1-CG1 4.16Å; F137-V146 HydrophobicContact CE2-CG2 4.4Å; T143-V146 PolarHBondContact O-N 3.19Å; P144-V146 VanDerWaalsContact C-N 3.32Å; P144-V146 PolarHBondContact O-N 3.29Å; V146-F148 VanDerWaalsContact C-N 3.29Å; V146-F148 PolarHBondContact O-N 3.48Å; V146-T149 PolarHBondContact O-N 2.86Å; V146-T149 VanDerWaalsContact O-N 3.12Å; V146-V150 WeakPolarHBondContact O-CG2 3.25Å; V146-V150 PolarHBondContact O-N 2.99Å; V146-M160 HydrophobicContact CB-CB 4.36Å; V146-M160 HydrophobicContact CG1-CB 4.47Å; V146-M160 HydrophobicContact CG2-CB 4.03Å; V146-M160 HydrophobicContact CG2-CG 4.39Å; V146-M160 HydrophobicContact CG2-SD 3.82Å; V146-Y176 HydrophobicContact CB-CD2 4.48Å; V146-Y176 HydrophobicContact CB-CE2 4.47Å; V146-Y176 HydrophobicContact CG1-CD2 3.7Å; V146-Y176 HydrophobicContact CG1-CE2 4.12Å; V146-Y176 HydrophobicContact CG1-CG 4.49Å
147P98.1Very high97.6Very high0 Ų021.4 Ų21.40%012%0.123CC..Hα-helixtrans-60.7-35.2176.521.3-29.9000113T143 P144 T149 V150 S151 Y176 G180 V434 D436T143-P147 WeakPolarHBondContact O-CD 3.1Å; P144-P147 WeakPolarHBondContact O-CD 3.4Å; P144-P147 WeakPolarHBondContact O-CG 3.38Å; P147-T149 PolarHBondContact O-N 3.21Å; P147-V150 PolarHBondContact O-N 2.87Å; P147-S151 PolarHBondContact O-N 3.24Å; P147-S151 PolarHBondContact O-OG 2.92Å; P147-Y176 HydrophobicContact CB-CD1 3.66Å; P147-Y176 HydrophobicContact CB-CE1 3.85Å; P147-Y176 HydrophobicContact CB-CG 4.23Å; P147-Y176 HydrophobicContact CG-CD1 4.08Å; P147-Y176 HydrophobicContact CG-CE1 3.76Å; P147-G180 WeakPolarHBondContact CB-O 3.28Å; P147-V434 HydrophobicContact CG-CG1 4Å; P147-D436 HydrophobicContact CG-CB 4.31Å
148F98.6Very high97.6Very high9 Ų921.4 Ų21.44%0.03912%0.123CC..Hα-helixtrans-57-49.2172.1178.7-99.2000111.4P144 V146 V150 S151 H152 V224 Q227 Y228 A231 V434P144-F148 VanDerWaalsContact O-CB 3.28Å; P144-F148 WeakPolarHBondContact O-CB 3.5Å; P144-F148 PolarHBondContact O-N 2.93Å; V146-F148 VanDerWaalsContact C-N 3.29Å; V146-F148 PolarHBondContact O-N 3.48Å; F148-V150 PolarHBondContact O-N 3.18Å; F148-S151 PolarHBondContact O-N 2.95Å; F148-H152 HydrophobicContact CD1-CB 4.4Å; F148-H152 HydrophobicContact CE1-CB 4.08Å; F148-H152 HydrophobicContact CZ-CB 4.26Å; F148-H152 WeakPolarHBondContact O-CB 3.32Å; F148-H152 PolarHBondContact O-N 2.8Å; F148-V224 HydrophobicContact CD1-CG1 3.92Å; F148-V224 HydrophobicContact CE1-CG1 4.26Å; F148-Q227 HydrophobicContact CE1-CB 3.98Å; F148-Q227 HydrophobicContact CZ-CB 4.01Å; F148-Y228 HydrophobicContact CB-CD2 4.33Å; F148-Y228 HydrophobicContact CD1-CD2 4.34Å; F148-Y228 HydrophobicContact CD2-CD2 4.08Å; F148-Y228 AromaticContact CG-CD2 3.98Å; F148-Y228 HydrophobicContact CG-CD2 3.98Å; F148-Y228 VanDerWaalsContact CZ-CA 3.48Å; F148-A231 HydrophobicContact CE2-CB 3.78Å; F148-A231 HydrophobicContact CZ-CB 4.24Å; F148-V434 HydrophobicContact CB-CG2 4.01Å; F148-V434 HydrophobicContact CD2-CG2 4.26Å
149T98.8Very high97.9Very high0 Ų018.8 Ų18.80%011%0.105CC..Hα-helixtrans-65.4-38.6-178-55.30000112V101 F137 F145 V146 P147 S151 H152 L153 L155 V224V101-T149 HydrophobicContact CB-CG2 4.09Å; V101-T149 HydrophobicContact CG1-CG2 4.33Å; V101-T149 HydrophobicContact CG2-CG2 3.79Å; F137-T149 WeakPolarHBondContact CZ-OG1 3.43Å; F145-T149 WeakPolarHBondContact O-CB 3.44Å; F145-T149 PolarHBondContact O-N 3.48Å; F145-T149 PolarHBondContact O-OG1 3.2Å; V146-T149 PolarHBondContact O-N 2.86Å; V146-T149 VanDerWaalsContact O-N 3.12Å; P147-T149 PolarHBondContact O-N 3.21Å; T149-S151 PolarHBondContact O-N 3.49Å; T149-H152 PolarHBondContact O-N 2.94Å; T149-L153 HydrophobicContact CG2-CD1 3.69Å; T149-L153 HydrophobicContact CG2-CG 4.16Å; T149-L153 WeakPolarHBondContact O-CB 3.29Å; T149-L153 PolarHBondContact O-N 2.88Å; T149-L155 HydrophobicContact CG2-CD1 4.12Å; T149-V224 HydrophobicContact CG2-CG2 3.76Å; T149-V224 WeakPolarHBondContact OG1-CG1 3.46Å; T149-V224 WeakPolarHBondContact OG1-CG2 3.47Å
150V98.7Very high98.1Very high0 Ų013.8 Ų13.80%08%0.082CC..Hα-helixtrans-56-52.9175.3175.10000110.3V101 V146 P147 F148 G154 L155 W177V101-V150 HydrophobicContact CG1-CG2 3.45Å; V101-V150 VanDerWaalsContact CG1-CG2 3.45Å; V146-V150 WeakPolarHBondContact O-CG2 3.25Å; V146-V150 PolarHBondContact O-N 2.99Å; P147-V150 PolarHBondContact O-N 2.87Å; F148-V150 PolarHBondContact O-N 3.18Å; V150-G154 CarbonylContact O-C 3.37Å; V150-G154 WeakPolarHBondContact O-CA 3.38Å; V150-G154 PolarHBondContact O-N 2.88Å; V150-L155 PolarHBondContact O-N 2.83Å; V150-W177 VanDerWaalsContact CG1-O 3.31Å; V150-W177 WeakPolarHBondContact CG1-O 3.27Å
151S97.6Very high98.3Very high55 Ų5511.4 Ų11.439%0.3857%0.069SC..Hα-helixtrans-67.2-43.7-179.8-62.40000112.3P147 F148 T149 G154 G180P147-S151 PolarHBondContact O-N 3.24Å; P147-S151 PolarHBondContact O-OG 2.92Å; F148-S151 PolarHBondContact O-N 2.95Å; T149-S151 PolarHBondContact O-N 3.49Å; S151-G154 PolarHBondContact O-N 2.78Å; S151-G180 WeakPolarHBondContact OG-CA 3.47Å
152H97.9Very high98.4Very high78 Ų7811.5 Ų11.536%0.3617%0.07SC..Hα-helixtrans-66.9-41.9-174.3-176.170.6000112.9F148 T149 Q227F148-H152 HydrophobicContact CD1-CB 4.4Å; F148-H152 HydrophobicContact CE1-CB 4.08Å; F148-H152 HydrophobicContact CZ-CB 4.26Å; F148-H152 WeakPolarHBondContact O-CB 3.32Å; F148-H152 PolarHBondContact O-N 2.8Å; T149-H152 PolarHBondContact O-N 2.94Å; H152-Q227 WeakPolarHBondContact NE2-CG 3.24Å
153L98.2Very high98.2Very high62 Ų6211.5 Ų11.533%0.3257%0.07SC..Hα-helixtrans-95-2-179.9-59.4-176.7000113T149 L155T149-L153 HydrophobicContact CG2-CD1 3.69Å; T149-L153 HydrophobicContact CG2-CG 4.16Å; T149-L153 WeakPolarHBondContact O-CB 3.29Å; T149-L153 PolarHBondContact O-N 2.88Å; L153-L155 HydrophobicContact CB-CD1 4.35Å; L153-L155 HydrophobicContact CB-CD2 3.89Å; L153-L155 HydrophobicContact CB-CG 3.86Å
154G98.2Very high97.9Very high32 Ų3211.8 Ų11.833%0.337%0.072SC..THydrogen-bonded Turntrans62.142.5-177.700000112.7R98 V150 S151R98-G154 PolarHBondContact NE-O 3.15Å; R98-G154 PolarHBondContact NH2-O 2.98Å; R98-G154 VanDerWaalsContact NH2-O 3.16Å; V150-G154 CarbonylContact O-C 3.37Å; V150-G154 WeakPolarHBondContact O-CA 3.38Å; V150-G154 PolarHBondContact O-N 2.88Å; S151-G154 PolarHBondContact O-N 2.78Å
155L98.8Very high97.6Very high3 Ų312.8 Ų12.82%0.0168%0.077CC..  trans-77.8162-179.1-52177.3000111.2R98 V101 H135 T149 V150 L153R98-L155 PolarHBondContact NH2-O 3.01Å; R98-L155 WeakPolarHBondContact O-CD2 3.35Å; V101-L155 HydrophobicContact CB-CD1 3.52Å; V101-L155 HydrophobicContact CG1-CD1 3.74Å; H135-L155 HydrophobicContact CB-CD1 4.45Å; T149-L155 HydrophobicContact CG2-CD1 4.12Å; V150-L155 PolarHBondContact O-N 2.83Å; L153-L155 HydrophobicContact CB-CD1 4.35Å; L153-L155 HydrophobicContact CB-CD2 3.89Å; L153-L155 HydrophobicContact CB-CG 3.86Å
156C98.8Very high97.2Very high0 Ų013.5 Ų13.50%08%0.081CC..SBendtrans-74-30.6178.6-74.40000112.8F92 L95 G99 E178F92-C156 HydrophobicContact CD2-CB 3.82Å; F92-C156 HydrophobicContact CE2-CB 3.94Å; F92-C156 HydrophobicContact CG-CB 4.18Å; F92-C156 HydrophobicContact CZ-CB 4.41Å; L95-C156 HydrophobicContact CD1-CB 3.81Å; G99-C156 PolarHBondContact O-N 3.18Å; C156-E178 WeakPolarHBondContact O-CA 3.47Å; C156-E178 WeakPolarHBondContact O-CB 3.33Å; C156-E178 PolarHBondContact O-N 2.92Å; C156-E178 VanDerWaalsContact O-N 3.13Å
157A98.8Very high96.9Very high0 Ų015.7 Ų15.70%010%0.095CC..EExtended strand (participates in β ladder)trans-165.3166.2-17800000112.5F84 L88 V100 V101 Y176F84-A157 HydrophobicContact CE1-CB 4.14Å; F84-A157 HydrophobicContact CZ-CB 3.59Å; L88-A157 HydrophobicContact CD1-CB 4Å; L88-A157 HydrophobicContact CD2-CB 3.98Å; V100-A157 VanDerWaalsContact CA-O 3.29Å; V100-A157 WeakPolarHBondContact CA-O 3.42Å; V100-A157 HydrophobicContact CG1-CB 4.17Å; V101-A157 PolarHBondContact N-O 2.86Å; A157-Y176 CarbonylContact C-O 3.57Å; A157-Y176 VanDerWaalsContact CA-O 3.25Å; A157-Y176 WeakPolarHBondContact CA-O 3.49Å; A157-Y176 WeakPolarHBondContact CB-O 3.44Å
158G98.7Very high96.6Very high0 Ų019.1 Ų19.10%011%0.11CC..EExtended strand (participates in β ladder)trans-132.6150.1172.600000112.7V101 V175 Y176V101-G158 CarbonylContact O-C 3.57Å; V101-G158 VanDerWaalsContact O-CA 3.27Å; V101-G158 WeakPolarHBondContact O-CA 3.44Å; G158-V175 WeakPolarHBondContact O-CA 3.48Å; G158-Y176 PolarHBondContact N-O 3.45Å; G158-Y176 PolarHBondContact O-N 3.18Å
159I98.8Very high96.5Very high0 Ų022.8 Ų22.80%013%0.127CC..EExtended strand (participates in β ladder)trans-123131.4173.1-64.5154.7000109.1F84 V101 I102 G103 F127 V161 Y173 K174 V175F84-I159 HydrophobicContact CD1-CD1 4.06Å; F84-I159 HydrophobicContact CD1-CG1 4.29Å; F84-I159 HydrophobicContact CE1-CD1 4.06Å; F84-I159 HydrophobicContact CE1-CG1 3.93Å; V101-I159 PolarHBondContact O-N 3.36Å; I102-I159 CarbonylContact C-O 3.51Å; I102-I159 WeakPolarHBondContact CA-O 3.06Å; I102-I159 HydrophobicContact CD1-CD1 4.28Å; I102-I159 HydrophobicContact CG1-CB 4.33Å; I102-I159 HydrophobicContact CG1-CD1 4.19Å; I102-I159 HydrophobicContact CG2-CB 4.28Å; I102-I159 HydrophobicContact CG2-CG2 4.36Å; G103-I159 PolarHBondContact N-O 2.84Å; F127-I159 HydrophobicContact CE2-CD1 3.57Å; F127-I159 HydrophobicContact CZ-CD1 4.23Å; I159-V161 HydrophobicContact CG2-CG2 4.06Å; I159-Y173 HydrophobicContact CD1-CE1 4.28Å; I159-Y173 HydrophobicContact CD1-CE2 4.3Å; I159-Y173 WeakPolarHBondContact CD1-OH 3.32Å; I159-Y173 HydrophobicContact CG1-CE1 4Å; I159-Y173 HydrophobicContact CG2-CD1 4.28Å; I159-Y173 HydrophobicContact CG2-CD2 3.94Å; I159-Y173 HydrophobicContact CG2-CE1 4.02Å; I159-Y173 HydrophobicContact CG2-CE2 3.69Å; I159-Y173 HydrophobicContact CG2-CG 4.26Å; I159-K174 WeakPolarHBondContact CA-O 3.33Å; I159-V175 HydrophobicContact CG1-CG2 4.47Å
160M98.6Very high96.3Very high0 Ų024.1 Ų24.10%013%0.134CC..EExtended strand (participates in β ladder)trans-117.6115.8169.6-177.157.6-174.400109.5G103 D105 T141 T143 V146 T162 K174 Y176 D323G103-M160 VanDerWaalsContact C-SD 3.51Å; D105-M160 HydrophobicContact CB-CE 4.34Å; T141-M160 WeakPolarHBondContact O-CE 3.39Å; T143-M160 HydrophobicContact CG2-CG 4.37Å; T143-M160 WeakPolarHBondContact OG1-CG 3.38Å; V146-M160 HydrophobicContact CB-CB 4.36Å; V146-M160 HydrophobicContact CG1-CB 4.47Å; V146-M160 HydrophobicContact CG2-CB 4.03Å; V146-M160 HydrophobicContact CG2-CG 4.39Å; V146-M160 HydrophobicContact CG2-SD 3.82Å; M160-T162 HydrophobicContact CE-CG2 4.16Å; M160-T162 HydrophobicContact CG-CG2 3.68Å; M160-T162 PolarHBondContact O-N 3.07Å; M160-K174 HydrophobicContact CB-CB 4.25Å; M160-K174 PolarHBondContact N-O 2.92Å; M160-K174 PolarHBondContact O-N 2.83Å; M160-Y176 HydrophobicContact CB-CE2 3.99Å; M160-D323 HydrophobicContact CE-CB 4.41Å
161V98.6Very high96.2Very high0 Ų024.1 Ų24.10%013%0.134CC..EExtended strand (participates in β ladder)trans-90102.2178.7-173.20000109.5G103 Y104 D105 F119 A120 I159 G172G103-V161 PolarHBondContact O-N 3.27Å; Y104-V161 WeakPolarHBondContact CA-O 3.32Å; D105-V161 PolarHBondContact N-O 3.38Å; F119-V161 HydrophobicContact CB-CG1 3.84Å; F119-V161 HydrophobicContact CD2-CG1 4.18Å; A120-V161 HydrophobicContact CB-CG2 4.13Å; I159-V161 HydrophobicContact CG2-CG2 4.06Å; V161-G172 WeakPolarHBondContact CA-O 3.19Å; V161-G172 WeakPolarHBondContact CG1-O 3.38Å
162T97.2Very high96.2Very high2 Ų221.6 Ų21.61%0.01212%0.116CC..  trans-167.6154.8-177.3179.90000110.8D105 M160 S164 G172 K174 D323D105-T162 WeakPolarHBondContact OD2-CA 3.15Å; D105-T162 WeakPolarHBondContact OD2-CB 3.3Å; D105-T162 PolarHBondContact OD2-OG1 2.91Å; M160-T162 HydrophobicContact CE-CG2 4.16Å; M160-T162 HydrophobicContact CG-CG2 3.68Å; M160-T162 PolarHBondContact O-N 3.07Å; T162-S164 PolarHBondContact OG1-N 3.15Å; T162-G172 PolarHBondContact N-O 3.32Å; T162-G172 VanDerWaalsContact N-O 3.15Å; T162-G172 CarbonylContact O-C 3.59Å; T162-G172 WeakPolarHBondContact O-CA 3.45Å; T162-G172 PolarHBondContact O-N 2.94Å; T162-K174 HydrophobicContact CG2-CD 3.77Å; T162-K174 HydrophobicContact CG2-CG 4.43Å; T162-D323 HydrophobicContact CG2-CB 4.17Å; T162-D323 WeakPolarHBondContact CG2-OD2 3.26Å; T162-D323 WeakPolarHBondContact OG1-CB 3.36Å
163A94.4Very high96.2Very high1 Ų117.9 Ų17.91%0.00810%0.099CC..  trans-108.718.5163.200000113.6R62 H165 N166 D170R62-A163 HydrophobicContact CG-CB 4.24Å; A163-H165 PolarHBondContact O-N 3.39Å; A163-N166 HydrophobicContact CB-CB 3.77Å; A163-N166 WeakPolarHBondContact O-CB 3.47Å; A163-N166 PolarHBondContact O-N 3.47Å; A163-N166 VanDerWaalsContact O-N 3.09Å; A163-N166 PolarHBondContact O-OD1 2.95Å; A163-D170 HydrophobicContact CB-CB 3.93Å
164S92.8Very high96.1Very high5 Ų516.1 Ų16.14%0.0359%0.089CC..THydrogen-bonded Turntrans53.7-117.8179.2166.10000111.9R107 T162 D321 P322 D323R107-S164 PolarHBondContact NH2-O 2.89Å; T162-S164 PolarHBondContact OG1-N 3.15Å; S164-D321 PolarHBondContact OG-OD2 3.07Å; S164-P322 WeakPolarHBondContact O-CB 3.49Å; S164-P322 WeakPolarHBondContact O-CD 3.47Å; S164-P322 WeakPolarHBondContact O-CG 3.33Å; S164-D323 VanDerWaalsContact CA-OD1 3.22Å; S164-D323 WeakPolarHBondContact CA-OD1 3.32Å; S164-D323 VanDerWaalsContact CB-OD1 3.27Å; S164-D323 WeakPolarHBondContact CB-OD1 3.4Å; S164-D323 WeakPolarHBondContact CB-OD2 3.38Å; S164-D323 PolarHBondContact OG-OD1 2.95Å
165H91Very high96.1Very high22 Ų2214.7 Ų14.710%0.1027%0.074CC..THydrogen-bonded Turntrans-91.42.2-17764.9-74.8000114.2A163 Y292 N294 D321 R326A163-H165 PolarHBondContact O-N 3.39Å; H165-Y292 AromaticContact CD2-CE1 3.79Å; H165-Y292 AromaticContact CD2-CZ 3.73Å; H165-Y292 PolarHBondContact CD2-OH 2.98Å; H165-Y292 VanDerWaalsContact O-CE2 3.22Å; H165-Y292 WeakPolarHBondContact O-CE2 3.2Å; H165-Y292 PolarHBondContact O-OH 2.89Å; H165-N294 HydrophobicContact CB-CB 3.87Å; H165-D321 HydrophobicContact CB-CB 4.19Å; H165-R326 PolarHBondContact CE1-NH1 3.49Å; H165-R326 VanDerWaalsContact CE1-NH1 3.32Å; H165-R326 PolarHBondContact CE1-NH2 2.85Å; H165-R326 VanDerWaalsContact ND1-CZ 3.31Å; H165-R326 PolarHBondContact ND1-NH1 3.35Å
166N91Very high96.1Very high15 Ų1514.6 Ų14.68%0.087%0.073CC..SBendtrans-60166.2-179.7-83.967.8000113.4R62 R107 A163 D170R62-N166 WeakPolarHBondContact CD-OD1 3.44Å; R62-N166 PolarHBondContact NH1-OD1 2.84Å; R107-N166 PolarHBondContact NH1-O 2.84Å; R107-N166 PolarHBondContact NH2-O 2.92Å; A163-N166 HydrophobicContact CB-CB 3.77Å; A163-N166 WeakPolarHBondContact O-CB 3.47Å; A163-N166 PolarHBondContact O-N 3.47Å; A163-N166 VanDerWaalsContact O-N 3.09Å; A163-N166 PolarHBondContact O-OD1 2.95Å; N166-D170 HydrophobicContact CB-CB 3.87Å; N166-D170 PolarHBondContact ND2-OD2 2.62Å
167P90.9Very high96.1Very high45 Ų4515.5 Ų15.529%0.2928%0.077SC..  trans-55.2155.6177-22.835.8000112.1R107 Q169 D170 Y292R107-P167 PolarHBondContact NH1-O 2.94Å; P167-Q169 PolarHBondContact O-N 3.15Å; P167-Q169 VanDerWaalsContact O-N 3.1Å; P167-D170 WeakPolarHBondContact O-CB 3.38Å; P167-D170 PolarHBondContact O-N 3.46Å; P167-Y292 HydrophobicContact CG-CD2 4.35Å; P167-Y292 HydrophobicContact CG-CE2 3.94Å
168K93.3Very high96Very high73 Ų7319.2 Ų19.232%0.3179%0.094SC..THydrogen-bonded Turntrans-59.1-27-174.769.4176.5174.1179.70115.1D170 P285 E286 F287K168-D170 PolarHBondContact O-N 3.15Å; K168-P285 WeakPolarHBondContact CB-O 3.49Å; K168-E286 WeakPolarHBondContact CD-O 3.47Å; K168-E286 IonicContact NZ-OE2 3.15Å; K168-E286 PolarHBondContact NZ-OE2 3.33Å; K168-F287 HydrophobicContact CB-CD2 3.6Å; K168-F287 HydrophobicContact CB-CE2 3.88Å
169Q94.9Very high96Very high86 Ų8620.6 Ų20.640%0.40210%0.101SC..THydrogen-bonded Turntrans-71.5-22.3178.4-58.581.32.700111.9A64 M65 P167A64-Q169 CarbonylContact C-O 3.51Å; A64-Q169 WeakPolarHBondContact CA-O 3.35Å; M65-Q169 WeakPolarHBondContact CB-O 3.43Å; M65-Q169 PolarHBondContact N-O 3.42Å; P167-Q169 PolarHBondContact O-N 3.15Å; P167-Q169 VanDerWaalsContact O-N 3.1Å
170D95.3Very high95.9Very high28 Ų2820.6 Ų20.615%0.1510%0.101CC..EExtended strand (participates in β ladder)trans-83.7146.9-177.2-71.10.7000112A63 A64 R107 A163 N166 P167 K168A63-D170 WeakPolarHBondContact O-CA 3.22Å; A64-D170 VanDerWaalsContact CA-OD1 3.29Å; A64-D170 WeakPolarHBondContact CA-OD1 3.46Å; A64-D170 PolarHBondContact N-OD1 3.36Å; R107-D170 WeakPolarHBondContact CD-O 3.4Å; R107-D170 PolarHBondContact NH1-O 3.14Å; A163-D170 HydrophobicContact CB-CB 3.93Å; N166-D170 HydrophobicContact CB-CB 3.87Å; N166-D170 PolarHBondContact ND2-OD2 2.62Å; P167-D170 WeakPolarHBondContact O-CB 3.38Å; P167-D170 PolarHBondContact O-N 3.46Å; K168-D170 PolarHBondContact O-N 3.15Å
171N97.3Very high95.8Very high0 Ų020.6 Ų20.60%010%0.101CC..EExtended strand (participates in β ladder)trans-134.4173.8162.7-149.1-30000109.5R62 A63 M65 M72 S116 F119R62-N171 WeakPolarHBondContact CA-O 3.18Å; A63-N171 PolarHBondContact N-O 3.49Å; A63-N171 VanDerWaalsContact N-O 3.17Å; A63-N171 PolarHBondContact O-N 3.44Å; A63-N171 VanDerWaalsContact O-O 3.14Å; M65-N171 HydrophobicContact CE-CB 4.02Å; M65-N171 HydrophobicContact CG-CB 3.66Å; M65-N171 HydrophobicContact SD-CB 3.77Å; M72-N171 HydrophobicContact CB-CB 4.43Å; M72-N171 HydrophobicContact CG-CB 4.48Å; M72-N171 WeakPolarHBondContact CG-O 3.49Å; S116-N171 PolarHBondContact N-ND2 2.94Å; S116-N171 PolarHBondContact OG-ND2 2.9Å; S116-N171 PolarHBondContact OG-OD1 3.18Å; F119-N171 HydrophobicContact CD2-CB 4.49Å; F119-N171 HydrophobicContact CE2-CB 4.08Å
172G96.5Very high95.7Very high1 Ų121.5 Ų21.51%0.0111%0.106CC..EExtended strand (participates in β ladder)trans-154.8173.4-178.600000113.2L61 V161 T162L61-G172 CarbonylContact O-C 3.47Å; L61-G172 WeakPolarHBondContact O-CA 3.4Å; V161-G172 WeakPolarHBondContact CA-O 3.19Å; V161-G172 WeakPolarHBondContact CG1-O 3.38Å; T162-G172 PolarHBondContact N-O 3.32Å; T162-G172 VanDerWaalsContact N-O 3.15Å; T162-G172 CarbonylContact O-C 3.59Å; T162-G172 WeakPolarHBondContact O-CA 3.45Å; T162-G172 PolarHBondContact O-N 2.94Å
173Y97.8Very high95.7Very high0 Ų021.5 Ų21.50%011%0.106CC..EExtended strand (participates in β ladder)trans-140.294.3-177-173-78.6000107.2F56 G60 L61 I77 T80 T81 A123 I159 V175F56-Y173 HydrophobicContact CE2-CD1 4.23Å; F56-Y173 HydrophobicContact CE2-CE1 4.49Å; G60-Y173 CarbonylContact C-O 3.57Å; G60-Y173 WeakPolarHBondContact CA-O 3.39Å; L61-Y173 PolarHBondContact N-O 3.07Å; L61-Y173 PolarHBondContact O-N 3.3Å; I77-Y173 HydrophobicContact CD1-CD2 3.66Å; I77-Y173 HydrophobicContact CD1-CE2 4.36Å; T80-Y173 HydrophobicContact CG2-CD1 4.05Å; T80-Y173 HydrophobicContact CG2-CE1 3.94Å; T80-Y173 HydrophobicContact CG2-CG 4.43Å; T81-Y173 PolarHBondContact OG1-OH 3.49Å; A123-Y173 HydrophobicContact CB-CE2 4.3Å; I159-Y173 HydrophobicContact CD1-CE1 4.28Å; I159-Y173 HydrophobicContact CD1-CE2 4.3Å; I159-Y173 WeakPolarHBondContact CD1-OH 3.32Å; I159-Y173 HydrophobicContact CG1-CE1 4Å; I159-Y173 HydrophobicContact CG2-CD1 4.28Å; I159-Y173 HydrophobicContact CG2-CD2 3.94Å; I159-Y173 HydrophobicContact CG2-CE1 4.02Å; I159-Y173 HydrophobicContact CG2-CE2 3.69Å; I159-Y173 HydrophobicContact CG2-CG 4.26Å; Y173-V175 HydrophobicContact CD1-CG2 3.74Å; Y173-V175 HydrophobicContact CE1-CG2 3.47Å; Y173-V175 VanDerWaalsContact CE1-CG2 3.47Å
174K97.3Very high95.6Very high26 Ų2622.6 Ų22.611%0.11311%0.112CC..EExtended strand (participates in β ladder)trans-89.6142.7178.3-60.1174.9176.5176.40109.5I159 M160 T162 Y176 D323 D325I159-K174 WeakPolarHBondContact CA-O 3.33Å; M160-K174 HydrophobicContact CB-CB 4.25Å; M160-K174 PolarHBondContact N-O 2.92Å; M160-K174 PolarHBondContact O-N 2.83Å; T162-K174 HydrophobicContact CG2-CD 3.77Å; T162-K174 HydrophobicContact CG2-CG 4.43Å; K174-Y176 HydrophobicContact CB-CE2 4.31Å; K174-D323 IonicContact NZ-OD2 3.95Å; K174-D323 PolarHBondContact NZ-OD2 2.93Å; K174-D325 IonicContact NZ-OD2 2.97Å; K174-D325 PolarHBondContact NZ-OD2 3.09Å
175V97.9Very high95.5Very high2 Ų226.2 Ų26.21%0.01214%0.137CC..EExtended strand (participates in β ladder)trans-122.8135.8179.8176.50000111.5F56 F84 G158 I159 Y173 I183F56-V175 HydrophobicContact CE2-CG2 4.35Å; F56-V175 HydrophobicContact CZ-CB 4.41Å; F56-V175 HydrophobicContact CZ-CG2 3.81Å; F84-V175 HydrophobicContact CD1-CG2 4.44Å; F84-V175 HydrophobicContact CE1-CG1 3.73Å; F84-V175 HydrophobicContact CE1-CG2 4.17Å; F84-V175 HydrophobicContact CE2-CG1 3.73Å; F84-V175 HydrophobicContact CZ-CB 4.46Å; F84-V175 HydrophobicContact CZ-CG1 3.21Å; F84-V175 HydrophobicContact CZ-CG2 4.4Å; G158-V175 WeakPolarHBondContact O-CA 3.48Å; I159-V175 HydrophobicContact CG1-CG2 4.47Å; Y173-V175 HydrophobicContact CD1-CG2 3.74Å; Y173-V175 HydrophobicContact CE1-CG2 3.47Å; Y173-V175 VanDerWaalsContact CE1-CG2 3.47Å; V175-I183 HydrophobicContact CB-CD1 4.33Å; V175-I183 HydrophobicContact CG1-CG2 3.92Å; V175-I183 PolarHBondContact O-N 2.64Å
176Y98.4Very high95.6Very high0 Ų029.2 Ų29.20%016%0.159CC..EExtended strand (participates in β ladder)trans-115.1137.8175.1-62.1-90.1000109.7T143 V146 P147 A157 G158 M160 K174 A181 Q182 D436T143-Y176 VanDerWaalsContact CG2-OH 3.22Å; T143-Y176 WeakPolarHBondContact CG2-OH 3.33Å; V146-Y176 HydrophobicContact CB-CD2 4.48Å; V146-Y176 HydrophobicContact CB-CE2 4.47Å; V146-Y176 HydrophobicContact CG1-CD2 3.7Å; V146-Y176 HydrophobicContact CG1-CE2 4.12Å; V146-Y176 HydrophobicContact CG1-CG 4.49Å; P147-Y176 HydrophobicContact CB-CD1 3.66Å; P147-Y176 HydrophobicContact CB-CE1 3.85Å; P147-Y176 HydrophobicContact CB-CG 4.23Å; P147-Y176 HydrophobicContact CG-CD1 4.08Å; P147-Y176 HydrophobicContact CG-CE1 3.76Å; A157-Y176 CarbonylContact C-O 3.57Å; A157-Y176 VanDerWaalsContact CA-O 3.25Å; A157-Y176 WeakPolarHBondContact CA-O 3.49Å; A157-Y176 WeakPolarHBondContact CB-O 3.44Å; G158-Y176 PolarHBondContact N-O 3.45Å; G158-Y176 PolarHBondContact O-N 3.18Å; M160-Y176 HydrophobicContact CB-CE2 3.99Å; K174-Y176 HydrophobicContact CB-CE2 4.31Å; Y176-A181 WeakPolarHBondContact CA-O 3.24Å; Y176-Q182 HydrophobicContact CD1-CG 3.95Å; Y176-Q182 HydrophobicContact CE1-CG 3.47Å; Y176-Q182 VanDerWaalsContact CE1-CG 3.47Å; Y176-D436 HydrophobicContact CE1-CB 4.18Å; Y176-D436 WeakPolarHBondContact CE1-OD2 3.39Å; Y176-D436 VanDerWaalsContact CZ-OD2 3.32Å; Y176-D436 PolarHBondContact OH-OD2 3.02Å
177W98.3Very high95.9Very high20 Ų2030.7 Ų30.78%0.07617%0.165CC..EExtended strand (participates in β ladder)trans-87.6176.4176.4-156.4-117000111.6F84 Y87 L88 F92 V150 N179 G180 A181 I183 H187F84-W177 HydrophobicContact CE2-CZ3 4.09Å; Y87-W177 HydrophobicContact CD1-CH2 4Å; Y87-W177 HydrophobicContact CD1-CZ3 4.18Å; Y87-W177 AromaticContact CE1-CH2 3.74Å; Y87-W177 HydrophobicContact CE1-CH2 3.74Å; Y87-W177 HydrophobicContact CE1-CZ3 4.1Å; L88-W177 HydrophobicContact CD2-CE3 4.21Å; L88-W177 HydrophobicContact CD2-CH2 3.62Å; L88-W177 HydrophobicContact CD2-CZ3 3.37Å; F92-W177 HydrophobicContact CD2-CH2 4.34Å; F92-W177 HydrophobicContact CD2-CZ2 4.29Å; F92-W177 HydrophobicContact CE2-CD2 4.41Å; F92-W177 AromaticContact CE2-CE2 3.74Å; F92-W177 AromaticContact CE2-CH2 3.49Å; F92-W177 HydrophobicContact CE2-CH2 3.49Å; F92-W177 VanDerWaalsContact CE2-CH2 3.49Å; F92-W177 AromaticContact CE2-CZ2 3.23Å; F92-W177 HydrophobicContact CE2-CZ2 3.23Å; F92-W177 HydrophobicContact CE2-CZ3 4.16Å; F92-W177 HydrophobicContact CZ-CD2 4.35Å; F92-W177 AromaticContact CZ-CE2 3.51Å; F92-W177 HydrophobicContact CZ-CH2 4.12Å; F92-W177 AromaticContact CZ-CZ2 3.38Å; F92-W177 HydrophobicContact CZ-CZ2 3.38Å; F92-W177 AromaticContact CZ-NE1 3.68Å; V150-W177 VanDerWaalsContact CG1-O 3.31Å; V150-W177 WeakPolarHBondContact CG1-O 3.27Å; W177-N179 PolarHBondContact O-N 3.33Å; W177-G180 PolarHBondContact O-N 3.5Å; W177-A181 PolarHBondContact N-O 2.98Å; W177-I183 HydrophobicContact CB-CG2 4.15Å; W177-I183 HydrophobicContact CE3-CG2 4.26Å; W177-H187 AromaticContact CD1-NE2 3.94Å; W177-H187 AromaticContact CE2-CE1 3.66Å; W177-H187 AromaticContact CE2-NE2 3.69Å; W177-H187 AromaticContact CZ2-CE1 3.59Å; W177-H187 AromaticContact CZ2-ND1 3.88Å; W177-H187 AromaticContact NE1-CE1 3.88Å; W177-H187 AromaticContact NE1-NE2 3.59Å
178E98.2Very high96Very high78 Ų7829.7 Ų29.736%0.36416%0.157SC..THydrogen-bonded Turntrans-58.6-19.1-177.273.6176.9143.100114.6F92 R98 C156 G180F92-E178 HydrophobicContact CE1-CB 4.4Å; F92-E178 VanDerWaalsContact CE1-CD 3.41Å; F92-E178 HydrophobicContact CE1-CG 4.26Å; F92-E178 VanDerWaalsContact CE1-OE1 3.29Å; F92-E178 WeakPolarHBondContact CE1-OE1 3.5Å; F92-E178 WeakPolarHBondContact CE1-OE2 3.28Å; F92-E178 HydrophobicContact CZ-CB 4.06Å; F92-E178 HydrophobicContact CZ-CG 4.09Å; R98-E178 IonicContact CZ-OE2 3.42Å; R98-E178 IonicContact NH1-OE2 3.87Å; R98-E178 PolarHBondContact NH1-OE2 2.83Å; R98-E178 IonicContact NH2-OE2 3.04Å; R98-E178 PolarHBondContact NH2-OE2 3.49Å; C156-E178 WeakPolarHBondContact O-CA 3.47Å; C156-E178 WeakPolarHBondContact O-CB 3.33Å; C156-E178 PolarHBondContact O-N 2.92Å; C156-E178 VanDerWaalsContact O-N 3.13Å; E178-G180 PolarHBondContact O-N 3.44Å
179N96.9Very high96.1Very high29 Ų2929.7 Ų29.716%0.15517%0.167CC..THydrogen-bonded Turntrans-80.2-0.7175.968.9-11.9000113.5W177 A181 N406 K409W177-N179 PolarHBondContact O-N 3.33Å; N179-A181 PolarHBondContact O-N 3.19Å; N179-A181 PolarHBondContact OD1-N 3.1Å; N179-N406 PolarHBondContact ND2-OD1 3.41Å; N179-K409 HydrophobicContact CB-CD 4.37Å; N179-K409 HydrophobicContact CB-CG 4.1Å
180G96.7Very high96.2Very high0 Ų026.6 Ų26.60%016%0.158CC..SBendtrans7411-178.300000114.3P147 S151 W177 E178P147-G180 WeakPolarHBondContact CB-O 3.28Å; S151-G180 WeakPolarHBondContact OG-CA 3.47Å; W177-G180 PolarHBondContact O-N 3.5Å; E178-G180 PolarHBondContact O-N 3.44Å
181A97.3Very high96.3Very high0 Ų025.3 Ų25.30%015%0.151CC..SBendtrans-107.1158.6173.700000110.9Y176 W177 N179 L435Y176-A181 WeakPolarHBondContact CA-O 3.24Å; W177-A181 PolarHBondContact N-O 2.98Å; N179-A181 PolarHBondContact O-N 3.19Å; N179-A181 PolarHBondContact OD1-N 3.1Å; A181-L435 HydrophobicContact CB-CB 4.21Å
182Q96.8Very high96.3Very high19 Ų1926.6 Ų26.69%0.08916%0.16CC..BIsolated β-bridgetrans-62.6147.9171.6-67.8-177.635.400110.7Y176 K402 N406 D436Y176-Q182 HydrophobicContact CD1-CG 3.95Å; Y176-Q182 HydrophobicContact CE1-CG 3.47Å; Y176-Q182 VanDerWaalsContact CE1-CG 3.47Å; Q182-K402 HydrophobicContact CB-CB 3.61Å; Q182-N406 PolarHBondContact O-ND2 2.88Å; Q182-D436 PolarHBondContact NE2-OD1 3.3Å; Q182-D436 PolarHBondContact NE2-OD2 2.91Å
183I96.3Very high96.4Very high2 Ų232.6 Ų32.61%0.0119%0.186CC..  trans-66149.5-176.562.3172.9000112.8F56 T58 V175 W177 H187 D188 I191F56-I183 HydrophobicContact CE1-CD1 3.62Å; F56-I183 HydrophobicContact CZ-CD1 4.17Å; T58-I183 WeakPolarHBondContact CB-O 3.22Å; V175-I183 HydrophobicContact CB-CD1 4.33Å; V175-I183 HydrophobicContact CG1-CG2 3.92Å; V175-I183 PolarHBondContact O-N 2.64Å; W177-I183 HydrophobicContact CB-CG2 4.15Å; W177-I183 HydrophobicContact CE3-CG2 4.26Å; I183-H187 HydrophobicContact CB-CB 4.23Å; I183-H187 HydrophobicContact CG2-CB 4.39Å; I183-D188 HydrophobicContact CD1-CB 4.27Å; I183-I191 HydrophobicContact CD1-CD1 3.85Å
184V93.4Very high96.4Very high24 Ų2432.7 Ų32.715%0.14519%0.187CC..  trans-129.4174.8168.6-67.20000109.1H187 K402 W403V184-H187 WeakPolarHBondContact O-CB 3.44Å; V184-H187 PolarHBondContact O-N 3.46Å; V184-K402 HydrophobicContact CG1-CB 4.1Å; V184-K402 HydrophobicContact CG1-CD 4.04Å; V184-K402 HydrophobicContact CG1-CG 4Å; V184-W403 HydrophobicContact CG1-CE3 4.28Å; V184-W403 HydrophobicContact CG1-CZ3 4.38Å
185S90.3Very high96.4Very high81 Ų8131.9 Ų31.957%0.56618%0.184SC*.THydrogen-bonded Turntrans-56.6139.6172.2178.20000111.3D188S185-D188 WeakPolarHBondContact CA-OD1 3.2Å
186P93.5Very high96.4Very high85 Ų8537.8 Ų37.855%0.55221%0.211SC*.THydrogen-bonded Turncis-91.338.936.7-36.8000115.5D188 S189 G190P186-D188 PolarHBondContact O-N 3.12Å; P186-S189 PolarHBondContact O-N 2.94Å; P186-G190 PolarHBondContact O-N 3.48Å
187H96.6Very high96.4Very high45 Ų4543.4 Ų43.421%0.20824%0.237CC..Hα-helixtrans-65.5-40.9-173-63.4-49.5000112.9Y87 W177 I183 V184 S189 G190 I191Y87-H187 HydrophobicContact CE1-CB 4.17Å; Y87-H187 AromaticContact CE1-ND1 3.61Å; Y87-H187 AromaticContact CZ-ND1 3.77Å; Y87-H187 PolarHBondContact OH-ND1 3.35Å; W177-H187 AromaticContact CD1-NE2 3.94Å; W177-H187 AromaticContact CE2-CE1 3.66Å; W177-H187 AromaticContact CE2-NE2 3.69Å; W177-H187 AromaticContact CZ2-CE1 3.59Å; W177-H187 AromaticContact CZ2-ND1 3.88Å; W177-H187 AromaticContact NE1-CE1 3.88Å; W177-H187 AromaticContact NE1-NE2 3.59Å; I183-H187 HydrophobicContact CB-CB 4.23Å; I183-H187 HydrophobicContact CG2-CB 4.39Å; V184-H187 WeakPolarHBondContact O-CB 3.44Å; V184-H187 PolarHBondContact O-N 3.46Å; H187-S189 PolarHBondContact O-N 3.18Å; H187-G190 PolarHBondContact O-N 3.43Å; H187-I191 WeakPolarHBondContact O-CB 3.45Å; H187-I191 WeakPolarHBondContact O-CD1 3.37Å; H187-I191 WeakPolarHBondContact O-CG1 3.27Å; H187-I191 PolarHBondContact O-N 2.94Å
188D93.9Very high96.3Very high24 Ų2443.7 Ų43.713%0.12824%0.24CC..Hα-helixtrans-53.7-51.1176.560.1-12.7000112.7T58 I183 S185 P186 I191 S192T58-D188 HydrophobicContact CG2-CB 3.91Å; T58-D188 WeakPolarHBondContact CG2-OD2 3.12Å; I183-D188 HydrophobicContact CD1-CB 4.27Å; S185-D188 WeakPolarHBondContact CA-OD1 3.2Å; P186-D188 PolarHBondContact O-N 3.12Å; D188-I191 PolarHBondContact O-N 3.13Å; D188-S192 WeakPolarHBondContact O-CB 3.34Å; D188-S192 PolarHBondContact O-N 3.2Å
189S94.1Very high96.3Very high74 Ų7442.2 Ų42.252%0.51723%0.234SC..Hα-helixtrans-69.7-38.8-178.4-56.40000111.5P186 H187 S192 K193P186-S189 PolarHBondContact O-N 2.94Å; H187-S189 PolarHBondContact O-N 3.18Å; S189-S192 PolarHBondContact O-N 3.15Å; S189-K193 WeakPolarHBondContact O-CB 3.17Å; S189-K193 PolarHBondContact O-N 2.97Å
190G97.7Very high96.3Very high21 Ų2146.9 Ų46.922%0.21626%0.256CS..Hα-helixtrans-63.5-43.3175.400000112.7P186 H187 A194P186-G190 PolarHBondContact O-N 3.48Å; H187-G190 PolarHBondContact O-N 3.43Å; G190-A194 WeakPolarHBondContact O-CB 3.48Å; G190-A194 PolarHBondContact O-N 3.13Å
191I98.1Very high96.4Very high0 Ų047.8 Ų47.80%026%0.261CS..Hα-helixtrans-65.6-47.4175.3-65.9165.3000110.2F56 F84 Y87 I183 H187 D188 K193 A194 I195F56-I191 HydrophobicContact CD1-CB 4.1Å; F56-I191 HydrophobicContact CD1-CG2 3.78Å; F56-I191 HydrophobicContact CD2-CG2 4.44Å; F56-I191 HydrophobicContact CE1-CB 3.85Å; F56-I191 HydrophobicContact CE1-CD1 4.06Å; F56-I191 HydrophobicContact CE1-CG2 3.49Å; F56-I191 VanDerWaalsContact CE1-CG2 3.49Å; F56-I191 HydrophobicContact CE2-CG2 4.22Å; F56-I191 HydrophobicContact CG-CG2 4.26Å; F56-I191 HydrophobicContact CZ-CD1 4.45Å; F56-I191 HydrophobicContact CZ-CG2 3.75Å; F84-I191 HydrophobicContact CB-CG2 4.27Å; F84-I191 HydrophobicContact CD2-CD1 3.64Å; F84-I191 HydrophobicContact CD2-CG1 3.86Å; F84-I191 HydrophobicContact CD2-CG2 4.25Å; F84-I191 HydrophobicContact CE2-CD1 3.66Å; F84-I191 HydrophobicContact CE2-CG1 4.29Å; Y87-I191 HydrophobicContact CD1-CD1 4.12Å; Y87-I191 HydrophobicContact CD1-CG1 3.35Å; Y87-I191 HydrophobicContact CE1-CD1 4.45Å; Y87-I191 HydrophobicContact CE1-CG1 3.91Å; Y87-I191 HydrophobicContact CG-CG1 3.78Å; I183-I191 HydrophobicContact CD1-CD1 3.85Å; H187-I191 WeakPolarHBondContact O-CB 3.45Å; H187-I191 WeakPolarHBondContact O-CD1 3.37Å; H187-I191 WeakPolarHBondContact O-CG1 3.27Å; H187-I191 PolarHBondContact O-N 2.94Å; D188-I191 PolarHBondContact O-N 3.13Å; I191-K193 VanDerWaalsContact C-N 3.33Å; I191-K193 PolarHBondContact O-N 3.24Å; I191-A194 PolarHBondContact O-N 3.33Å; I191-A194 VanDerWaalsContact O-N 3.07Å; I191-I195 HydrophobicContact CG2-CD1 3.85Å; I191-I195 HydrophobicContact CG2-CG1 4.28Å; I191-I195 VanDerWaalsContact O-CG1 3.29Å; I191-I195 WeakPolarHBondContact O-CG1 3.43Å; I191-I195 PolarHBondContact O-N 3.42Å
192S96.9Very high96.4Very high28 Ų2849.4 Ų49.420%0.19627%0.267CS..Hα-helixtrans-53.7-49.5178.3-172.50000111.6D188 S189 A194 I195 E196D188-S192 WeakPolarHBondContact O-CB 3.34Å; D188-S192 PolarHBondContact O-N 3.2Å; S189-S192 PolarHBondContact O-N 3.15Å; S192-A194 PolarHBondContact O-N 2.99Å; S192-I195 WeakPolarHBondContact O-CB 3.45Å; S192-I195 PolarHBondContact O-N 2.85Å; S192-E196 PolarHBondContact O-N 2.98Å
193K97.8Very high96.2Very high126 Ų12654.4 Ų54.455%0.54830%0.302SS..Hα-helixtrans-58.7-46.1174.7-179.6178.6171.7-177.90112.4S189 I191 I195 E196 E197S189-K193 WeakPolarHBondContact O-CB 3.17Å; S189-K193 PolarHBondContact O-N 2.97Å; I191-K193 VanDerWaalsContact C-N 3.33Å; I191-K193 PolarHBondContact O-N 3.24Å; K193-I195 VanDerWaalsContact C-N 3.25Å; K193-I195 PolarHBondContact O-N 2.85Å; K193-E196 PolarHBondContact O-N 3.3Å; K193-E197 WeakPolarHBondContact CE-OE1 3.41Å; K193-E197 IonicContact NZ-OE1 3.91Å; K193-E197 WeakPolarHBondContact O-CG 3.35Å; K193-E197 PolarHBondContact O-N 3.24Å; K193-E197 VanDerWaalsContact O-N 3.09Å
194A98.4Very high96.1Very high3 Ų356.5 Ų56.53%0.02532%0.319CS..Hα-helixtrans-63.3-31.3179.200000112.6G83 G190 I191 S192 E197 N198G83-A194 VanDerWaalsContact CA-C 3.47Å; G83-A194 WeakPolarHBondContact CA-O 3.06Å; G83-A194 VanDerWaalsContact O-CB 3.23Å; G83-A194 WeakPolarHBondContact O-CB 3.48Å; G190-A194 WeakPolarHBondContact O-CB 3.48Å; G190-A194 PolarHBondContact O-N 3.13Å; I191-A194 PolarHBondContact O-N 3.33Å; I191-A194 VanDerWaalsContact O-N 3.07Å; S192-A194 PolarHBondContact O-N 2.99Å; A194-E197 PolarHBondContact O-N 3.07Å; A194-N198 WeakPolarHBondContact O-CB 3.47Å; A194-N198 PolarHBondContact O-N 3.09Å; A194-N198 PolarHBondContact O-ND2 2.76Å
195I98.1Very high96.2Very high9 Ų955.3 Ų55.35%0.04631%0.312CS..Hα-helixtrans-64.9-48.2173.8-65.6167.2000110.4F56 T80 I191 S192 K193 E197 N198 L199F56-I195 HydrophobicContact CB-CD1 3.93Å; F56-I195 HydrophobicContact CD2-CD1 3.65Å; F56-I195 HydrophobicContact CE2-CD1 4.36Å; F56-I195 HydrophobicContact CG-CD1 3.82Å; T80-I195 HydrophobicContact CG2-CD1 3.83Å; I191-I195 HydrophobicContact CG2-CD1 3.85Å; I191-I195 HydrophobicContact CG2-CG1 4.28Å; I191-I195 VanDerWaalsContact O-CG1 3.29Å; I191-I195 WeakPolarHBondContact O-CG1 3.43Å; I191-I195 PolarHBondContact O-N 3.42Å; S192-I195 WeakPolarHBondContact O-CB 3.45Å; S192-I195 PolarHBondContact O-N 2.85Å; K193-I195 VanDerWaalsContact C-N 3.25Å; K193-I195 PolarHBondContact O-N 2.85Å; I195-E197 PolarHBondContact O-N 3.13Å; I195-N198 CarbonylContact O-C 3.5Å; I195-N198 PolarHBondContact O-N 3.39Å; I195-L199 HydrophobicContact CG2-CD2 4.41Å; I195-L199 WeakPolarHBondContact O-CD2 3.23Å
196E96.8Very high96.5Very high126 Ų12652.9 Ų52.959%0.58929%0.29SS*.Hα-helixtrans-61-32.5178.6-66.4-173.516400112.7S192 K193 N198 L199S192-E196 PolarHBondContact O-N 2.98Å; K193-E196 PolarHBondContact O-N 3.3Å; E196-N198 VanDerWaalsContact C-N 3.31Å; E196-N198 PolarHBondContact O-N 3.36Å; E196-L199 WeakPolarHBondContact O-CG 3.45Å
197E97.9Very high96.6Very high118 Ų11851.2 Ų51.255%0.55128%0.277SS*.THydrogen-bonded Turntrans-77.9-11.8176.7-68.9173.9171.900113.7K193 A194 I195K193-E197 WeakPolarHBondContact CE-OE1 3.41Å; K193-E197 IonicContact NZ-OE1 3.91Å; K193-E197 WeakPolarHBondContact O-CG 3.35Å; K193-E197 PolarHBondContact O-N 3.24Å; K193-E197 VanDerWaalsContact O-N 3.09Å; A194-E197 PolarHBondContact O-N 3.07Å; I195-E197 PolarHBondContact O-N 3.13Å
198N97.4Very high96.5Very high25 Ų2550.4 Ų50.413%0.13428%0.275CS..THydrogen-bonded Turntrans-130.444.1-172.5-68-95.3000112.9Q82 R86 A194 I195 E196Q82-N198 HydrophobicContact CB-CB 4.15Å; Q82-N198 PolarHBondContact NE2-O 3.14Å; R86-N198 WeakPolarHBondContact CG-OD1 3.22Å; A194-N198 WeakPolarHBondContact O-CB 3.47Å; A194-N198 PolarHBondContact O-N 3.09Å; A194-N198 PolarHBondContact O-ND2 2.76Å; I195-N198 CarbonylContact O-C 3.5Å; I195-N198 PolarHBondContact O-N 3.39Å; E196-N198 VanDerWaalsContact C-N 3.31Å; E196-N198 PolarHBondContact O-N 3.36Å
199L96.7Very high96.6Very high47 Ų4755.9 Ų55.925%0.24630%0.3CS..  trans-76.7-26.9-177-64.6179.6000114.7R53 Q79 I195 E196 P201R53-L199 VanDerWaalsContact NH2-CD2 3.27Å; Q79-L199 HydrophobicContact CB-CD2 4.35Å; Q79-L199 HydrophobicContact CG-CD2 4.44Å; Q79-L199 WeakPolarHBondContact CG-O 3.19Å; Q79-L199 PolarHBondContact NE2-O 3.34Å; I195-L199 HydrophobicContact CG2-CD2 4.41Å; I195-L199 WeakPolarHBondContact O-CD2 3.23Å; E196-L199 WeakPolarHBondContact O-CG 3.45Å; L199-P201 WeakPolarHBondContact O-CD 3.34Å
200E97.8Very high96.7Very high128 Ų12858.5 Ų58.560%0.59830%0.304SS*.SBendtrans-74.2124.9175.9-175.6167.5-166.300110Y24 Q82 W202Y24-E200 HydrophobicContact CE1-CB 4.37Å; Y24-E200 HydrophobicContact CE1-CG 3.84Å; Q82-E200 PolarHBondContact NE2-O 3.27Å; E200-W202 PolarHBondContact O-N 3.41Å
201P98.2Very high96.6Very high18 Ų1857.8 Ų57.812%0.11730%0.296CS..PPolyproline II helixtrans-61.6129.7178.4-25.736.3000112.4Y24 L75 I78 L199Y24-P201 HydrophobicContact CG-CG 4.33Å; L75-P201 HydrophobicContact CD1-CG 3.49Å; L75-P201 VanDerWaalsContact CD1-CG 3.49Å; I78-P201 HydrophobicContact CG2-CB 4.17Å; L199-P201 WeakPolarHBondContact O-CD 3.34Å
202W97.8Very high96.4Very high35 Ų3561.1 Ų61.113%0.13331%0.313CS..PPolyproline II helixtrans-63.4151.5173.5-59.9-20.8000111.3Q82 C85 R86 V126 R130 E200 A204 S205Q82-W202 HydrophobicContact CB-CD2 4.48Å; Q82-W202 HydrophobicContact CB-CH2 3.86Å; Q82-W202 HydrophobicContact CB-CZ2 3.78Å; Q82-W202 HydrophobicContact CB-CZ3 4.22Å; Q82-W202 HydrophobicContact CG-CD2 3.73Å; Q82-W202 HydrophobicContact CG-CE3 3.73Å; Q82-W202 HydrophobicContact CG-CG 4.35Å; Q82-W202 HydrophobicContact CG-CH2 3.95Å; Q82-W202 HydrophobicContact CG-CZ2 3.95Å; Q82-W202 HydrophobicContact CG-CZ3 3.81Å; C85-W202 HydrophobicContact CB-CH2 4.23Å; C85-W202 HydrophobicContact CB-CZ3 4.47Å; R86-W202 HydrophobicContact CG-CH2 4.25Å; R86-W202 HydrophobicContact CG-CZ2 3.99Å; V126-W202 HydrophobicContact CG1-CE3 4.14Å; V126-W202 HydrophobicContact CG1-CZ3 3.72Å; R130-W202 HydrophobicContact CG-CE3 3.75Å; R130-W202 HydrophobicContact CG-CH2 3.88Å; R130-W202 HydrophobicContact CG-CZ3 3.17Å; E200-W202 PolarHBondContact O-N 3.41Å; W202-A204 VanDerWaalsContact C-N 3.26Å; W202-A204 PolarHBondContact O-N 3.06Å; W202-S205 PolarHBondContact N-OG 3.22Å; W202-S205 PolarHBondContact O-N 3.14Å; W202-S205 VanDerWaalsContact O-N 3.08Å; W202-S205 PolarHBondContact O-OG 2.58Å
203P93.1Very high96.4Very high124 Ų12467.9 Ų67.981%0.80534%0.339SS*.THydrogen-bonded Turntrans-53-37.2-171.4-30.936.4000115.6
204A94.3Very high96.4Very high45 Ų4563.2 Ų63.237%0.37232%0.324SS..THydrogen-bonded Turntrans-101.21.2-177.200000114.7W202 W206 N207W202-A204 VanDerWaalsContact C-N 3.26Å; W202-A204 PolarHBondContact O-N 3.06Å; A204-W206 PolarHBondContact O-N 3.35Å; A204-N207 PolarHBondContact O-N 3.07Å; A204-N207 VanDerWaalsContact O-N 3.09Å
205S94.3Very high96.4Very high0 Ų068 Ų680%036%0.364CS..THydrogen-bonded Turntrans-66.6-20.2-175.658.40000114.3I78 Q82 W202I78-S205 WeakPolarHBondContact CG2-OG 3.31Å; Q82-S205 PolarHBondContact OE1-OG 3.28Å; W202-S205 PolarHBondContact N-OG 3.22Å; W202-S205 PolarHBondContact O-N 3.14Å; W202-S205 VanDerWaalsContact O-N 3.08Å; W202-S205 PolarHBondContact O-OG 2.58Å
206W96.9Very high96.4Very high29 Ų2970.5 Ų70.511%0.1138%0.377CS..THydrogen-bonded Turntrans-87.7-11.4176.4-70.291.8000113.9Y24 D25 R26 D74 L75 I78 L122 A204 T208Y24-W206 VanDerWaalsContact O-CZ2 3.25Å; Y24-W206 WeakPolarHBondContact O-CZ2 3.44Å; D25-W206 WeakPolarHBondContact OD1-CH2 3.19Å; R26-W206 HydrophobicContact CB-CD2 3.9Å; R26-W206 HydrophobicContact CB-CE3 3.76Å; R26-W206 HydrophobicContact CB-CH2 4.03Å; R26-W206 HydrophobicContact CB-CZ2 4.14Å; R26-W206 HydrophobicContact CB-CZ3 3.82Å; R26-W206 HydrophobicContact CG-CD2 3.9Å; R26-W206 HydrophobicContact CG-CE3 4.29Å; R26-W206 HydrophobicContact CG-CG 4.33Å; R26-W206 HydrophobicContact CG-CH2 4.46Å; R26-W206 HydrophobicContact CG-CZ2 4.06Å; D74-W206 HydrophobicContact CB-CH2 3.9Å; D74-W206 HydrophobicContact CB-CZ3 3.65Å; L75-W206 HydrophobicContact CB-CH2 4.28Å; L75-W206 HydrophobicContact CB-CZ2 4.35Å; L75-W206 HydrophobicContact CD1-CZ2 4.09Å; I78-W206 HydrophobicContact CD1-CD2 3.33Å; I78-W206 HydrophobicContact CD1-CE3 3.6Å; I78-W206 HydrophobicContact CD1-CG 3.88Å; I78-W206 HydrophobicContact CD1-CH2 3.79Å; I78-W206 HydrophobicContact CD1-CZ2 3.54Å; I78-W206 HydrophobicContact CD1-CZ3 3.83Å; L122-W206 HydrophobicContact CD2-CE3 4.44Å; A204-W206 PolarHBondContact O-N 3.35Å; W206-T208 PolarHBondContact O-N 3.22Å
207N95.4Very high96.5Very high51 Ų5166.3 Ų66.327%0.27336%0.358SS..  trans-88.174.6-169.6-162.4-17000112.1A204 E209 E210 A211A204-N207 PolarHBondContact O-N 3.07Å; A204-N207 VanDerWaalsContact O-N 3.09Å; N207-E209 VanDerWaalsContact C-N 3.31Å; N207-E209 PolarHBondContact O-N 2.96Å; N207-E210 WeakPolarHBondContact ND2-CG 3.42Å; N207-E210 PolarHBondContact ND2-OE1 3.1Å; N207-E210 PolarHBondContact ND2-OE2 3.49Å; N207-E210 PolarHBondContact OD1-N 2.85Å; N207-E210 VanDerWaalsContact OD1-N 3.12Å; N207-A211 WeakPolarHBondContact O-CB 3.49Å; N207-A211 PolarHBondContact O-N 2.84Å
208T96.1Very high96.5Very high28 Ų2866.2 Ų66.217%0.17236%0.356CS..Hα-helixtrans-66.4-33.2178.557.30000112.4F121 L122 A125 W206 A211 L212F121-T208 HydrophobicContact CB-CG2 4.06Å; L122-T208 HydrophobicContact CD2-CG2 3.62Å; L122-T208 HydrophobicContact CG-CG2 4.02Å; A125-T208 HydrophobicContact CB-CG2 4.3Å; W206-T208 PolarHBondContact O-N 3.22Å; T208-A211 PolarHBondContact O-N 3.22Å; T208-L212 WeakPolarHBondContact O-CB 3.23Å; T208-L212 WeakPolarHBondContact O-CG 3.48Å; T208-L212 PolarHBondContact O-N 3.49Å
209E96Very high96.5Very high138 Ų13869 Ų6965%0.64537%0.371SS*.Hα-helixtrans-65.8-42.1-177.7-66.9-175.9-16900113.2N207N207-E209 VanDerWaalsContact C-N 3.31Å; N207-E209 PolarHBondContact O-N 2.96Å
210E95.1Very high96.6Very high130 Ų13067.1 Ų67.161%0.60736%0.362SS*.Hα-helixtrans-71.5-41.5173.9-75.7176.6-161.300111.5N207 L212 K213 A214N207-E210 WeakPolarHBondContact ND2-CG 3.42Å; N207-E210 PolarHBondContact ND2-OE1 3.1Å; N207-E210 PolarHBondContact ND2-OE2 3.49Å; N207-E210 PolarHBondContact OD1-N 2.85Å; N207-E210 VanDerWaalsContact OD1-N 3.12Å; E210-L212 VanDerWaalsContact C-N 3.27Å; E210-L212 PolarHBondContact O-N 3.28Å; E210-K213 PolarHBondContact O-N 2.83Å; E210-A214 PolarHBondContact O-N 2.8Å
211A95.6Very high96.5Very high6 Ų662.5 Ų62.55%0.0534%0.339CS..Hα-helixtrans-59.1-39.6178.200000112.2A125 I128 N207 T208 K213 A214A125-A211 HydrophobicContact CB-CB 3.67Å; I128-A211 HydrophobicContact CB-CB 4.45Å; I128-A211 HydrophobicContact CD1-CB 4.09Å; I128-A211 WeakPolarHBondContact CD1-O 3.2Å; I128-A211 HydrophobicContact CG2-CB 4.42Å; N207-A211 WeakPolarHBondContact O-CB 3.49Å; N207-A211 PolarHBondContact O-N 2.84Å; T208-A211 PolarHBondContact O-N 3.22Å; A211-K213 PolarHBondContact O-N 2.79Å; A211-A214 WeakPolarHBondContact O-CB 3.31Å; A211-A214 PolarHBondContact O-N 3.04Å; A211-A214 VanDerWaalsContact O-N 3.16Å
212L94.7Very high96.4Very high69 Ų6969.2 Ų69.236%0.36137%0.369SS..THydrogen-bonded Turntrans-66.4-14177.4-71.1171000114.4F121 L136 T208 E210 L217F121-L212 HydrophobicContact CD1-CD2 4.38Å; F121-L212 HydrophobicContact CD2-CD1 3.67Å; F121-L212 HydrophobicContact CD2-CD2 4.22Å; F121-L212 HydrophobicContact CD2-CG 4.45Å; F121-L212 HydrophobicContact CE1-CD2 4.36Å; F121-L212 HydrophobicContact CE2-CD1 3.72Å; F121-L212 HydrophobicContact CE2-CD2 4.19Å; F121-L212 HydrophobicContact CG-CD1 4.41Å; F121-L212 HydrophobicContact CG-CD2 4.29Å; F121-L212 HydrophobicContact CZ-CD2 4.24Å; L136-L212 HydrophobicContact CD2-CD2 3.86Å; T208-L212 WeakPolarHBondContact O-CB 3.23Å; T208-L212 WeakPolarHBondContact O-CG 3.48Å; T208-L212 PolarHBondContact O-N 3.49Å; E210-L212 VanDerWaalsContact C-N 3.27Å; E210-L212 PolarHBondContact O-N 3.28Å; L212-L217 HydrophobicContact CD2-CD2 3.9Å
213K96.7Very high96.4Very high170 Ų17071.4 Ų71.474%0.73938%0.384SS*.THydrogen-bonded Turntrans-108.2-2.8177.6-61.8169.1-171.31660112.5E210 A211E210-K213 PolarHBondContact O-N 2.83Å; A211-K213 PolarHBondContact O-N 2.79Å
214A97.3Very high96.6Very high29 Ų2965.5 Ų65.524%0.2435%0.345CS..  trans-71.1142.1-175.300000111.2I128 E210 A211 L216 L217I128-A214 HydrophobicContact CD1-CB 4.35Å; I128-A214 HydrophobicContact CG2-CB 3.66Å; E210-A214 PolarHBondContact O-N 2.8Å; A211-A214 WeakPolarHBondContact O-CB 3.31Å; A211-A214 PolarHBondContact O-N 3.04Å; A211-A214 VanDerWaalsContact O-N 3.16Å; A214-L216 PolarHBondContact O-N 2.8Å; A214-L216 VanDerWaalsContact O-N 3.09Å; A214-L217 WeakPolarHBondContact O-CB 3.46Å; A214-L217 PolarHBondContact O-N 2.65Å
215A97.8Very high96.7Very high103 Ų10365.2 Ų65.285%0.85134%0.338SS*.THydrogen-bonded Turntrans-62.9-16.617600000113.9L217A215-L217 VanDerWaalsContact C-N 3.31Å
216L98.1Very high96.9Very high61 Ų6168.6 Ų68.632%0.31936%0.358SS..THydrogen-bonded Turntrans-78.4-13.9175.5-69.5176.2000113.2I128 P133 V134 A214I128-L216 HydrophobicContact CG1-CB 4.32Å; P133-L216 WeakPolarHBondContact CA-O 3.35Å; P133-L216 HydrophobicContact CG-CD2 4.14Å; V134-L216 PolarHBondContact N-O 2.96Å; A214-L216 PolarHBondContact O-N 2.8Å; A214-L216 VanDerWaalsContact O-N 3.09Å
217L98.5Very high96.9Very high38 Ų3870 Ų7020%0.19937%0.366CS..EExtended strand (participates in β ladder)trans-88.5131.1177.2-168.174.7000110.4A124 I128 V134 L136 L212 A214 A215A124-L217 HydrophobicContact CB-CD1 4.41Å; I128-L217 HydrophobicContact CD1-CB 3.95Å; I128-L217 HydrophobicContact CD1-CD1 3.85Å; I128-L217 HydrophobicContact CD1-CG 4.46Å; V134-L217 HydrophobicContact CB-CD1 4Å; V134-L217 HydrophobicContact CG1-CD1 3.98Å; V134-L217 CarbonylContact O-C 3.52Å; V134-L217 WeakPolarHBondContact O-CA 3.14Å; L136-L217 HydrophobicContact CB-CD1 3.58Å; L136-L217 HydrophobicContact CB-CG 4.48Å; L136-L217 HydrophobicContact CD2-CD1 4.03Å; L136-L217 HydrophobicContact CD2-CD2 4.41Å; L136-L217 HydrophobicContact CG-CD1 4.48Å; L212-L217 HydrophobicContact CD2-CD2 3.9Å; A214-L217 WeakPolarHBondContact O-CB 3.46Å; A214-L217 PolarHBondContact O-N 2.65Å; A215-L217 VanDerWaalsContact C-N 3.31Å
218K98.2Very high97.1Very high117 Ų11767.6 Ų67.651%0.50935%0.353SS..EExtended strand (participates in β ladder)trans-128.2142.7172.8-63.3176.6-176.3172.80109.1V134 H135 L136 P220V134-K218 PolarHBondContact O-N 2.9Å; H135-K218 CarbonylContact C-O 3.51Å; H135-K218 VanDerWaalsContact CA-O 3.27Å; H135-K218 WeakPolarHBondContact CA-O 3.27Å; L136-K218 PolarHBondContact N-O 3.18Å; K218-P220 WeakPolarHBondContact O-CD 3.36Å
219D98.1Very high97.2Very high83 Ų8367 Ų6744%0.44435%0.348SS..  trans-94.9112.1169.5178.812.8000109.4S138 F221S138-D219 WeakPolarHBondContact CB-OD2 3.42Å; S138-D219 PolarHBondContact N-OD1 3.16Å; S138-D219 VanDerWaalsContact OG-CG 3.29Å; S138-D219 PolarHBondContact OG-OD1 2.84Å; S138-D219 PolarHBondContact OG-OD2 3.11Å; D219-F221 VanDerWaalsContact C-N 3.32Å; D219-F221 WeakPolarHBondContact OD1-CB 3.13Å; D219-F221 PolarHBondContact OD1-N 3.09Å
220P97.9Very high97.3Very high8 Ų864.9 Ų64.95%0.05234%0.338CS..  trans-84.7-3.5-179.237.4-37.8000113.3H135 L136 F137 K218 Q222 D223 V224H135-P220 HydrophobicContact CB-CB 4.31Å; H135-P220 HydrophobicContact CB-CG 4.04Å; L136-P220 WeakPolarHBondContact O-CD 3.24Å; F137-P220 HydrophobicContact CD1-CG 3.79Å; F137-P220 HydrophobicContact CD2-CG 4.23Å; F137-P220 HydrophobicContact CE1-CB 4.42Å; F137-P220 HydrophobicContact CE1-CG 3.73Å; F137-P220 HydrophobicContact CE2-CG 4.15Å; F137-P220 HydrophobicContact CG-CG 4.07Å; F137-P220 HydrophobicContact CZ-CG 3.91Å; K218-P220 WeakPolarHBondContact O-CD 3.36Å; P220-Q222 PolarHBondContact O-N 2.99Å; P220-D223 PolarHBondContact O-N 2.9Å; P220-V224 HydrophobicContact CB-CG2 3.8Å; P220-V224 WeakPolarHBondContact O-CB 2.85Å; P220-V224 WeakPolarHBondContact O-CG2 3.28Å; P220-V224 PolarHBondContact O-N 3.06Å
221F96.9Very high97.4Very high30 Ų3059.1 Ų59.113%0.13231%0.313CS..Hα-helixtrans-52.9-55.4-163.2-178.3-105.7000114.3F137 E139 T141 D219 D223 N225 F261F137-F221 HydrophobicContact CD1-CB 4.01Å; F137-F221 AromaticContact CD1-CD2 3.98Å; F137-F221 HydrophobicContact CD1-CD2 3.98Å; F137-F221 HydrophobicContact CE1-CD2 4.5Å; E139-F221 HydrophobicContact CB-CD2 4.21Å; E139-F221 HydrophobicContact CB-CE2 4Å; E139-F221 HydrophobicContact CB-CZ 4.22Å; E139-F221 HydrophobicContact CG-CE1 4.43Å; E139-F221 HydrophobicContact CG-CZ 4.47Å; T141-F221 HydrophobicContact CG2-CD2 3.96Å; T141-F221 HydrophobicContact CG2-CE2 4.1Å; D219-F221 VanDerWaalsContact C-N 3.32Å; D219-F221 WeakPolarHBondContact OD1-CB 3.13Å; D219-F221 PolarHBondContact OD1-N 3.09Å; F221-D223 PolarHBondContact O-N 3.06Å; F221-N225 WeakPolarHBondContact O-CB 3.34Å; F221-N225 PolarHBondContact O-N 2.91Å; F221-F261 HydrophobicContact CE2-CE1 4.26Å; F221-F261 HydrophobicContact CE2-CZ 4.09Å
222Q96.2Very high97.5Very high160 Ų16058.9 Ų58.975%0.74831%0.311SS*.Hα-helixtrans-65.9-42.8-174.2-67.6-173.8-8.800113.3P220 T226P220-Q222 PolarHBondContact O-N 2.99Å; Q222-T226 PolarHBondContact O-N 3.13Å; Q222-T226 PolarHBondContact O-OG1 3.41Å
223D96.8Very high97.6Very high81 Ų8159.1 Ų59.143%0.43331%0.31SS..Hα-helixtrans-67.9-51.3179.8-178.850.9000110.3P220 F221 N225 T226 Q227P220-D223 PolarHBondContact O-N 2.9Å; F221-D223 PolarHBondContact O-N 3.06Å; D223-N225 VanDerWaalsContact C-N 3.31Å; D223-N225 PolarHBondContact O-N 2.88Å; D223-T226 WeakPolarHBondContact O-CB 3.36Å; D223-T226 PolarHBondContact O-N 2.69Å; D223-T226 VanDerWaalsContact O-N 3.09Å; D223-Q227 VanDerWaalsContact O-CG 3.24Å; D223-Q227 WeakPolarHBondContact O-CG 3.49Å; D223-Q227 PolarHBondContact O-N 3.04Å
224V97.8Very high97.5Very high0 Ų058.8 Ų58.80%031%0.309CS..Hα-helixtrans-58.8-43.3177.8168.70000111.6F137 F145 F148 T149 P220 T226 Q227 Y228F137-V224 HydrophobicContact CE1-CB 4.09Å; F137-V224 HydrophobicContact CE1-CG1 4.09Å; F137-V224 HydrophobicContact CE1-CG2 4.44Å; F137-V224 HydrophobicContact CZ-CB 4.25Å; F137-V224 HydrophobicContact CZ-CG1 3.95Å; F137-V224 HydrophobicContact CZ-CG2 4.33Å; F145-V224 HydrophobicContact CD1-CG1 3.67Å; F145-V224 HydrophobicContact CE1-CG1 4.12Å; F145-V224 HydrophobicContact CG-CG1 4.25Å; F148-V224 HydrophobicContact CD1-CG1 3.92Å; F148-V224 HydrophobicContact CE1-CG1 4.26Å; T149-V224 HydrophobicContact CG2-CG2 3.76Å; T149-V224 WeakPolarHBondContact OG1-CG1 3.46Å; T149-V224 WeakPolarHBondContact OG1-CG2 3.47Å; P220-V224 HydrophobicContact CB-CG2 3.8Å; P220-V224 WeakPolarHBondContact O-CB 2.85Å; P220-V224 WeakPolarHBondContact O-CG2 3.28Å; P220-V224 PolarHBondContact O-N 3.06Å; V224-T226 VanDerWaalsContact C-N 3.28Å; V224-T226 PolarHBondContact O-N 3.34Å; V224-Q227 PolarHBondContact O-N 2.89Å; V224-Y228 WeakPolarHBondContact O-CB 3.49Å; V224-Y228 PolarHBondContact O-N 3.31Å
225N96.6Very high97.5Very high39 Ų3958.9 Ų58.921%0.20930%0.304CS..Hα-helixtrans-57.5-45177.9-171.377.2000111.2F145 F221 D223 F229F145-N225 HydrophobicContact CE1-CB 4.14Å; F221-N225 WeakPolarHBondContact O-CB 3.34Å; F221-N225 PolarHBondContact O-N 2.91Å; D223-N225 VanDerWaalsContact C-N 3.31Å; D223-N225 PolarHBondContact O-N 2.88Å; N225-F229 WeakPolarHBondContact O-CD2 3.3Å; N225-F229 PolarHBondContact O-N 3Å; N225-F229 VanDerWaalsContact OD1-CE2 3.23Å; N225-F229 WeakPolarHBondContact OD1-CE2 3.24Å
226T97.4Very high97.5Very high70 Ų7054.9 Ų54.943%0.42927%0.269SS..Hα-helixtrans-63.4-49.8177.1-57.90000111.5Q222 D223 V224 F229 Q230Q222-T226 PolarHBondContact O-N 3.13Å; Q222-T226 PolarHBondContact O-OG1 3.41Å; D223-T226 WeakPolarHBondContact O-CB 3.36Å; D223-T226 PolarHBondContact O-N 2.69Å; D223-T226 VanDerWaalsContact O-N 3.09Å; V224-T226 VanDerWaalsContact C-N 3.28Å; V224-T226 PolarHBondContact O-N 3.34Å; T226-F229 PolarHBondContact O-N 3.09Å; T226-Q230 VanDerWaalsContact O-CG 3.3Å; T226-Q230 WeakPolarHBondContact O-CG 3.34Å; T226-Q230 PolarHBondContact O-N 2.77Å
227Q98.3Very high97.4Very high59 Ų5953.9 Ų53.928%0.27626%0.263SS..Hα-helixtrans-67.8-39.8-175.7-64-69.9-1.500112.4F148 H152 D223 V224 Q230 A231F148-Q227 HydrophobicContact CE1-CB 3.98Å; F148-Q227 HydrophobicContact CZ-CB 4.01Å; H152-Q227 WeakPolarHBondContact NE2-CG 3.24Å; D223-Q227 VanDerWaalsContact O-CG 3.24Å; D223-Q227 WeakPolarHBondContact O-CG 3.49Å; D223-Q227 PolarHBondContact O-N 3.04Å; V224-Q227 PolarHBondContact O-N 2.89Å; Q227-Q230 PolarHBondContact O-N 3.05Å; Q227-A231 WeakPolarHBondContact O-CB 3.37Å; Q227-A231 PolarHBondContact O-N 2.72Å
228Y98.5Very high97.4Very high1 Ų153.3 Ų53.30%0.00426%0.259CS..Hα-helixtrans-60.6-49.7176.1172-93.3000110.7F145 F148 V224 Q230 A231 I232 V434 D438 V440 S441F145-Y228 HydrophobicContact CD2-CD1 4.28Å; F145-Y228 HydrophobicContact CD2-CD2 4.19Å; F145-Y228 HydrophobicContact CD2-CE2 4.4Å; F145-Y228 HydrophobicContact CD2-CG 4.13Å; F145-Y228 AromaticContact CE2-CD1 3.37Å; F145-Y228 HydrophobicContact CE2-CD1 3.37Å; F145-Y228 HydrophobicContact CE2-CD2 4.06Å; F145-Y228 AromaticContact CE2-CE1 3.66Å; F145-Y228 HydrophobicContact CE2-CE1 3.66Å; F145-Y228 HydrophobicContact CE2-CE2 4.3Å; F145-Y228 AromaticContact CE2-CG 3.59Å; F145-Y228 HydrophobicContact CE2-CG 3.59Å; F145-Y228 AromaticContact CZ-CD1 3.75Å; F145-Y228 HydrophobicContact CZ-CD1 3.75Å; F145-Y228 HydrophobicContact CZ-CE1 4.39Å; F145-Y228 HydrophobicContact CZ-CG 4.02Å; F148-Y228 HydrophobicContact CB-CD2 4.33Å; F148-Y228 HydrophobicContact CD1-CD2 4.34Å; F148-Y228 HydrophobicContact CD2-CD2 4.08Å; F148-Y228 AromaticContact CG-CD2 3.98Å; F148-Y228 HydrophobicContact CG-CD2 3.98Å; F148-Y228 VanDerWaalsContact CZ-CA 3.48Å; V224-Y228 WeakPolarHBondContact O-CB 3.49Å; V224-Y228 PolarHBondContact O-N 3.31Å; Y228-Q230 VanDerWaalsContact C-N 3.32Å; Y228-Q230 PolarHBondContact O-N 3.16Å; Y228-A231 WeakPolarHBondContact O-CB 3.06Å; Y228-A231 PolarHBondContact O-N 2.93Å; Y228-A231 VanDerWaalsContact O-N 3.07Å; Y228-I232 HydrophobicContact CE1-CD1 4.17Å; Y228-I232 HydrophobicContact CE1-CG2 4.16Å; Y228-I232 HydrophobicContact CE2-CG2 4.08Å; Y228-I232 PolarHBondContact O-N 2.96Å; Y228-V434 HydrophobicContact CE2-CG2 4.07Å; Y228-D438 VanDerWaalsContact CE2-OD2 3.29Å; Y228-D438 WeakPolarHBondContact CE2-OD2 3.36Å; Y228-D438 PolarHBondContact OH-OD1 2.64Å; Y228-D438 PolarHBondContact OH-OD2 3.3Å; Y228-V440 HydrophobicContact CE1-CG1 4.15Å; Y228-S441 PolarHBondContact OH-N 3.01Å
229F98.3Very high97.4Very high14 Ų1451.1 Ų51.16%0.06125%0.248CC..Hα-helixtrans-66.6-34.9179.7-72.2-55.6000112.4F145 N225 T226 A231 I232 Q233 F261 A265 A268 V440F145-F229 HydrophobicContact CZ-CE2 4.39Å; F145-F229 HydrophobicContact CZ-CZ 4.46Å; N225-F229 WeakPolarHBondContact O-CD2 3.3Å; N225-F229 PolarHBondContact O-N 3Å; N225-F229 VanDerWaalsContact OD1-CE2 3.23Å; N225-F229 WeakPolarHBondContact OD1-CE2 3.24Å; T226-F229 PolarHBondContact O-N 3.09Å; F229-A231 VanDerWaalsContact C-N 3.32Å; F229-A231 PolarHBondContact O-N 3Å; F229-I232 HydrophobicContact CD1-CD1 3.74Å; F229-I232 HydrophobicContact CD1-CG1 4.26Å; F229-I232 HydrophobicContact CE1-CD1 4.18Å; F229-I232 WeakPolarHBondContact O-CG1 3.26Å; F229-Q233 WeakPolarHBondContact O-CG 3.27Å; F229-Q233 PolarHBondContact O-N 3.17Å; F229-Q233 VanDerWaalsContact O-N 3.12Å; F229-F261 HydrophobicContact CZ-CB 4.35Å; F229-F261 HydrophobicContact CZ-CD1 4.31Å; F229-F261 WeakPolarHBondContact CZ-O 3.49Å; F229-A265 HydrophobicContact CD1-CB 4.42Å; F229-A265 HydrophobicContact CE1-CB 3.86Å; F229-A268 HydrophobicContact CB-CB 4.34Å; F229-A268 HydrophobicContact CD1-CB 4.38Å; F229-V440 HydrophobicContact CE1-CG1 4.27Å
230Q97.8Very high97.4Very high95 Ų9552.2 Ų52.244%0.44425%0.25SS..Hα-helixtrans-64.3-35.3170.7-73.4176.33.300112.9T226 Q227 Y228T226-Q230 VanDerWaalsContact O-CG 3.3Å; T226-Q230 WeakPolarHBondContact O-CG 3.34Å; T226-Q230 PolarHBondContact O-N 2.77Å; Q227-Q230 PolarHBondContact O-N 3.05Å; Y228-Q230 VanDerWaalsContact C-N 3.32Å; Y228-Q230 PolarHBondContact O-N 3.16Å
231A97.9Very high97.4Very high9 Ų953.8 Ų53.87%0.07426%0.258CS..Hα-helixtrans-66.8-48.9177.400000111.3F148 Q227 Y228 F229 Q233 K234F148-A231 HydrophobicContact CE2-CB 3.78Å; F148-A231 HydrophobicContact CZ-CB 4.24Å; Q227-A231 WeakPolarHBondContact O-CB 3.37Å; Q227-A231 PolarHBondContact O-N 2.72Å; Y228-A231 WeakPolarHBondContact O-CB 3.06Å; Y228-A231 PolarHBondContact O-N 2.93Å; Y228-A231 VanDerWaalsContact O-N 3.07Å; F229-A231 VanDerWaalsContact C-N 3.32Å; F229-A231 PolarHBondContact O-N 3Å; A231-Q233 VanDerWaalsContact C-N 3.28Å; A231-Q233 PolarHBondContact O-N 3.43Å; A231-K234 WeakPolarHBondContact O-CB 3.31Å; A231-K234 PolarHBondContact O-N 3.32Å
232I97.8Very high97.5Very high1 Ų152.4 Ų52.41%0.00525%0.252CS..Hα-helixtrans-68.9-26.6-179.371.1167.5000112.5Y228 F229 K234 H235 A265 F269Y228-I232 HydrophobicContact CE1-CD1 4.17Å; Y228-I232 HydrophobicContact CE1-CG2 4.16Å; Y228-I232 HydrophobicContact CE2-CG2 4.08Å; Y228-I232 PolarHBondContact O-N 2.96Å; F229-I232 HydrophobicContact CD1-CD1 3.74Å; F229-I232 HydrophobicContact CD1-CG1 4.26Å; F229-I232 HydrophobicContact CE1-CD1 4.18Å; F229-I232 WeakPolarHBondContact O-CG1 3.26Å; I232-K234 PolarHBondContact O-N 2.93Å; I232-K234 VanDerWaalsContact O-N 3.1Å; I232-H235 WeakPolarHBondContact O-CB 3.27Å; I232-H235 PolarHBondContact O-N 2.67Å; I232-A265 HydrophobicContact CD1-CB 3.92Å; I232-F269 HydrophobicContact CB-CE2 4.38Å; I232-F269 HydrophobicContact CD1-CE2 4.22Å; I232-F269 HydrophobicContact CG1-CE2 4.05Å; I232-F269 VanDerWaalsContact O-CE2 3.26Å; I232-F269 WeakPolarHBondContact O-CE2 3.46Å; I232-F269 WeakPolarHBondContact O-CZ 3.27Å
233Q96.8Very high97.6Very high74 Ų7449.2 Ų49.235%0.34624%0.235SC..G310 helixtrans-57.4-24.8176-83.5175.115.500113.8F229 A231 H235 C236 A268F229-Q233 WeakPolarHBondContact O-CG 3.27Å; F229-Q233 PolarHBondContact O-N 3.17Å; F229-Q233 VanDerWaalsContact O-N 3.12Å; A231-Q233 VanDerWaalsContact C-N 3.28Å; A231-Q233 PolarHBondContact O-N 3.43Å; Q233-H235 PolarHBondContact O-N 3.42Å; Q233-C236 WeakPolarHBondContact O-CB 3.43Å; Q233-C236 PolarHBondContact O-N 2.9Å; Q233-C236 VanDerWaalsContact O-N 3.09Å; Q233-A268 HydrophobicContact CG-CB 3.74Å; Q233-A268 VanDerWaalsContact CG-O 3.31Å; Q233-A268 WeakPolarHBondContact CG-O 3.34Å
234K95.6Very high97.6Very high162 Ų16253 Ų5370%0.70425%0.248SC*.G310 helixtrans-65.7-15.1175.9-60.3175.7-175.5173.10112.8A231 I232A231-K234 WeakPolarHBondContact O-CB 3.31Å; A231-K234 PolarHBondContact O-N 3.32Å; I232-K234 PolarHBondContact O-N 2.93Å; I232-K234 VanDerWaalsContact O-N 3.1Å
235H96.4Very high97.5Very high32 Ų3253.6 Ų53.615%0.14825%0.252CS..G310 helixtrans-102.112.3176.1-59-81000113I232 Q233 H237 F269 C431 I445I232-H235 WeakPolarHBondContact O-CB 3.27Å; I232-H235 PolarHBondContact O-N 2.67Å; Q233-H235 PolarHBondContact O-N 3.42Å; H235-H237 PolarHBondContact O-CD2 3.41Å; H235-H237 PolarHBondContact O-NE2 2.76Å; H235-F269 HydrophobicContact CB-CZ 4.36Å; H235-C431 VanDerWaalsContact CD2-SG 3.56Å; H235-C431 PolarHBondContact NE2-SG 2.94Å; H235-I445 HydrophobicContact CB-CD1 4.22Å
236C97.6Very high97.5Very high18 Ų1860.4 Ų60.412%0.12228%0.283CS..  trans-91.7108.6170.1173.90000108.7Q233 F269 E448Q233-C236 WeakPolarHBondContact O-CB 3.43Å; Q233-C236 PolarHBondContact O-N 2.9Å; Q233-C236 VanDerWaalsContact O-N 3.09Å; C236-F269 HydrophobicContact CB-CB 4.5Å; C236-F269 HydrophobicContact CB-CD1 3.81Å; C236-F269 HydrophobicContact CB-CD2 3.99Å; C236-F269 HydrophobicContact CB-CE1 3.9Å; C236-F269 HydrophobicContact CB-CE2 4.08Å; C236-F269 HydrophobicContact CB-CG 3.84Å; C236-F269 HydrophobicContact CB-CZ 4.03Å; C236-E448 PolarHBondContact SG-OE2 3.38Å
237H97.1Very high97.4Very high41 Ų4158.6 Ų58.619%0.1927%0.272CS..  trans-100.6-24.1-172.9-60.4-84.4000112.6H235 C357 Q361 E448H235-H237 PolarHBondContact O-CD2 3.41Å; H235-H237 PolarHBondContact O-NE2 2.76Å; H237-C357 HydrophobicContact CB-CB 4.03Å; H237-C357 VanDerWaalsContact CD2-CB 3.46Å; H237-C357 WeakPolarHBondContact CD2-CB 3.35Å; H237-Q361 VanDerWaalsContact ND1-CD 3.27Å; H237-Q361 PolarHBondContact ND1-NE2 2.99Å; H237-Q361 PolarHBondContact ND1-OE1 3.36Å; H237-E448 IonicContact CD2-OE1 3.4Å; H237-E448 PolarHBondContact N-OE1 3.07Å; H237-E448 PolarHBondContact N-OE2 2.96Å; H237-E448 VanDerWaalsContact N-OE2 3.11Å
238H97.7Very high97.4Very high26 Ų2659.8 Ų59.812%0.1228%0.276CS..  trans-126.946.3-171.8-61.1-82.4000113.4E240 I241 N242 W353 E360 E448 Y452H238-E240 VanDerWaalsContact C-N 3.27Å; H238-E240 PolarHBondContact O-N 2.79Å; H238-E240 VanDerWaalsContact O-N 3.11Å; H238-I241 HydrophobicContact CB-CB 4.1Å; H238-I241 HydrophobicContact CB-CD1 4.02Å; H238-I241 HydrophobicContact CB-CG1 4.25Å; H238-I241 WeakPolarHBondContact O-CA 3.19Å; H238-I241 WeakPolarHBondContact O-CB 3.43Å; H238-I241 PolarHBondContact O-N 2.81Å; H238-N242 PolarHBondContact O-N 2.92Å; H238-N242 PolarHBondContact O-OD1 3.16Å; H238-W353 AromaticContact CD2-CH2 3.34Å; H238-W353 WeakPolarHBondContact CD2-CH2 3.04Å; H238-W353 AromaticContact CD2-CZ2 3.58Å; H238-W353 AromaticContact NE2-CH2 3.58Å; H238-E360 IonicContact CE1-OE2 3.69Å; H238-E360 PolarHBondContact CE1-OE2 2.93Å; H238-E360 IonicContact NE2-OE2 3.63Å; H238-E360 PolarHBondContact NE2-OE2 2.92Å; H238-E448 HydrophobicContact CB-CG 4.13Å; H238-E448 PolarHBondContact N-OE2 3.37Å; H238-Y452 AromaticContact CE1-CD2 3.79Å; H238-Y452 AromaticContact CE1-CE2 3.73Å; H238-Y452 AromaticContact ND1-CD2 3.9Å; H238-Y452 AromaticContact NE2-CD2 3.89Å
239R97.7Very high97.4Very high70 Ų7060.2 Ų60.226%0.26428%0.278SS..Hα-helixtrans-50.1-39.4-177.3-167.1169.5-73.3-84.6-4.2115.1N242 K243 A268 D270R239-N242 WeakPolarHBondContact O-CB 3.49Å; R239-N242 PolarHBondContact O-N 3.17Å; R239-K243 WeakPolarHBondContact O-CG 2.96Å; R239-K243 PolarHBondContact O-N 2.88Å; R239-K243 VanDerWaalsContact O-N 3.13Å; R239-A268 PolarHBondContact NH1-O 3.35Å; R239-A268 PolarHBondContact NH2-O 2.85Å; R239-D270 WeakPolarHBondContact CD-OD2 3.31Å; R239-D270 HydrophobicContact CG-CB 4.01Å; R239-D270 WeakPolarHBondContact CG-OD2 3.27Å; R239-D270 IonicContact CZ-OD2 3.27Å; R239-D270 IonicContact NE-OD2 3.77Å; R239-D270 IonicContact NH1-OD1 2.87Å; R239-D270 PolarHBondContact NH1-OD1 3.43Å; R239-D270 IonicContact NH1-OD2 3.66Å; R239-D270 PolarHBondContact NH1-OD2 3.01Å
240E98.1Very high97.4Very high106 Ų10659.5 Ų59.550%0.49528%0.275SS..Hα-helixtrans-73.4-27.1178.4-68.4-56.4122.200113.6H238 K243 K244H238-E240 VanDerWaalsContact C-N 3.27Å; H238-E240 PolarHBondContact O-N 2.79Å; H238-E240 VanDerWaalsContact O-N 3.11Å; E240-K243 IonicContact OE1-NZ 2.77Å; E240-K243 PolarHBondContact OE1-NZ 2.98Å; E240-K244 WeakPolarHBondContact O-CG 3.24Å
241I98.3Very high97.5Very high42 Ų4255 Ų5522%0.21525%0.254CS..Hα-helixtrans-71.1-44.7170.7-63.4-179000108.9H238 K243 K244 S245 Y452 T455H238-I241 HydrophobicContact CB-CB 4.1Å; H238-I241 HydrophobicContact CB-CD1 4.02Å; H238-I241 HydrophobicContact CB-CG1 4.25Å; H238-I241 WeakPolarHBondContact O-CA 3.19Å; H238-I241 WeakPolarHBondContact O-CB 3.43Å; H238-I241 PolarHBondContact O-N 2.81Å; I241-K243 VanDerWaalsContact C-N 3.35Å; I241-K243 PolarHBondContact O-N 3.3Å; I241-K244 CarbonylContact O-C 3.57Å; I241-K244 PolarHBondContact O-N 3.48Å; I241-K244 VanDerWaalsContact O-N 3.09Å; I241-S245 PolarHBondContact O-N 3.03Å; I241-Y452 HydrophobicContact CD1-CD2 3.93Å; I241-T455 HydrophobicContact CD1-CG2 4.21Å; I241-T455 HydrophobicContact CG1-CG2 4.39Å; I241-T455 HydrophobicContact CG2-CG2 3.56Å
242N98.4Very high97.5Very high0 Ų054.6 Ų54.60%025%0.251CS..Hα-helixtrans-55.4-48.5-180-62.2-13.4000111.9H238 R239 K244 S245 F269 D270 L271 E448H238-N242 PolarHBondContact O-N 2.92Å; H238-N242 PolarHBondContact O-OD1 3.16Å; R239-N242 WeakPolarHBondContact O-CB 3.49Å; R239-N242 PolarHBondContact O-N 3.17Å; N242-K244 PolarHBondContact O-N 3.18Å; N242-S245 WeakPolarHBondContact O-CB 3.33Å; N242-S245 PolarHBondContact O-N 3.41Å; N242-F269 WeakPolarHBondContact CB-O 3.42Å; N242-F269 PolarHBondContact ND2-O 2.86Å; N242-D270 CarbonylContact C-O 3.31Å; N242-D270 VanDerWaalsContact C-O 3.31Å; N242-L271 HydrophobicContact CB-CD2 3.54Å; N242-L271 HydrophobicContact CB-CG 3.85Å; N242-E448 PolarHBondContact ND2-OE2 2.79Å; N242-E448 WeakPolarHBondContact OD1-CG 3.45Å
243K98.1Very high97.5Very high93 Ų9354.6 Ų54.640%0.40425%0.25SS..Hα-helixtrans-59.7-31.6178.3-72.1173.4-172.61670114.2R239 E240 I241 D270R239-K243 WeakPolarHBondContact O-CG 2.96Å; R239-K243 PolarHBondContact O-N 2.88Å; R239-K243 VanDerWaalsContact O-N 3.13Å; E240-K243 IonicContact OE1-NZ 2.77Å; E240-K243 PolarHBondContact OE1-NZ 2.98Å; I241-K243 VanDerWaalsContact C-N 3.35Å; I241-K243 PolarHBondContact O-N 3.3Å; K243-D270 WeakPolarHBondContact CA-O 3.24Å; K243-D270 HydrophobicContact CD-CB 4.37Å; K243-D270 WeakPolarHBondContact CE-OD2 3.48Å; K243-D270 HydrophobicContact CG-CB 3.63Å; K243-D270 PolarHBondContact N-O 2.95Å; K243-D270 IonicContact NZ-OD2 3.8Å
244K97.7Very high97.4Very high161 Ų16151 Ų5170%0.723%0.234SC*.Hα-helixtrans-97.7-4-176.5-65.7176-174.4171.60112.6E240 I241 N242 E246E240-K244 WeakPolarHBondContact O-CG 3.24Å; I241-K244 CarbonylContact O-C 3.57Å; I241-K244 PolarHBondContact O-N 3.48Å; I241-K244 VanDerWaalsContact O-N 3.09Å; N242-K244 PolarHBondContact O-N 3.18Å; K244-E246 PolarHBondContact O-N 3.28Å
245S96.3Very high97.5Very high12 Ų1243.7 Ų43.78%0.08420%0.202CC..  trans-68122.2-174.6-172.20000110.5I241 N242 V247 H272 S451I241-S245 PolarHBondContact O-N 3.03Å; N242-S245 WeakPolarHBondContact O-CB 3.33Å; N242-S245 PolarHBondContact O-N 3.41Å; S245-V247 VanDerWaalsContact C-N 3.31Å; S245-V247 PolarHBondContact OG-N 3.02Å; S245-H272 PolarHBondContact O-CE1 2.69Å; S245-H272 PolarHBondContact O-ND1 3.37Å; S245-S451 WeakPolarHBondContact CB-OG 3.24Å; S245-S451 VanDerWaalsContact OG-CB 3.3Å; S245-S451 WeakPolarHBondContact OG-CB 3.43Å; S245-S451 PolarHBondContact OG-OG 2.86Å
246E95.1Very high97.6Very high183 Ų18342.2 Ų42.286%0.85520%0.195SC*.  trans-92.44.7172.1-61-171.5144.700112.1K244 K248K244-E246 PolarHBondContact O-N 3.28Å; E246-K248 PolarHBondContact O-N 3.2Å
247V96.1Very high97.6Very high32 Ų3241.6 Ų41.619%0.19419%0.191CC..  trans-68.1121.8-180-173.50000109.6S245 I249 I450 A454S245-V247 VanDerWaalsContact C-N 3.31Å; S245-V247 PolarHBondContact OG-N 3.02Å; V247-I249 HydrophobicContact CG1-CG1 4.31Å; V247-I450 HydrophobicContact CB-CG2 4.33Å; V247-I450 HydrophobicContact CG1-CG2 3.63Å; V247-A454 HydrophobicContact CG2-CB 3.37Å
248K97.8Very high97.6Very high84 Ų8439.6 Ų39.637%0.36518%0.182SC..  trans-87.2128174.8-61.3-174.8-176.3-1740110.1E246 Y275 E312 A314E246-K248 PolarHBondContact O-N 3.2Å; K248-Y275 HydrophobicContact CB-CD2 4.31Å; K248-Y275 HydrophobicContact CB-CE2 3.77Å; K248-Y275 HydrophobicContact CD-CE2 3.92Å; K248-Y275 HydrophobicContact CG-CE2 3.81Å; K248-E312 WeakPolarHBondContact CD-O 3.39Å; K248-E312 PolarHBondContact NZ-O 3.38Å; K248-A314 HydrophobicContact CB-CB 3.82Å; K248-A314 WeakPolarHBondContact O-CA 3.48Å; K248-A314 VanDerWaalsContact O-CB 3.27Å; K248-A314 WeakPolarHBondContact O-CB 3.33Å
249I98.7Very high97.6Very high9 Ų939.7 Ų39.75%0.04618%0.182CC..EExtended strand (participates in β ladder)trans-121.8132.7-179.7-63.6170.9000108.2V247 F266 P274 Y275 V316 L318 I450V247-I249 HydrophobicContact CG1-CG1 4.31Å; I249-F266 HydrophobicContact CD1-CE1 4.05Å; I249-F266 HydrophobicContact CD1-CZ 4.35Å; I249-P274 HydrophobicContact CB-CB 4.23Å; I249-P274 HydrophobicContact CG2-CB 4.04Å; I249-P274 CarbonylContact O-C 3.6Å; I249-P274 VanDerWaalsContact O-CA 3.22Å; I249-P274 WeakPolarHBondContact O-CA 3.43Å; I249-P274 WeakPolarHBondContact O-CB 3.49Å; I249-Y275 WeakPolarHBondContact O-CD2 3.48Å; I249-Y275 PolarHBondContact O-N 2.85Å; I249-V316 HydrophobicContact CG1-CB 4.49Å; I249-L318 HydrophobicContact CG2-CD1 3.78Å; I249-L318 HydrophobicContact CG2-CG 3.69Å; I249-I450 HydrophobicContact CD1-CD1 4.12Å; I249-I450 HydrophobicContact CD1-CG2 4.26Å
250V98.9Very high97.6Very high0 Ų040.8 Ų40.80%020%0.197CC..EExtended strand (participates in β ladder)trans-93.8141.9169.7163.10000109.8Y275 V277 L308 A309 A314 V316 V317 L318V250-Y275 CarbonylContact C-O 3.43Å; V250-Y275 WeakPolarHBondContact CA-O 3.5Å; V250-V277 HydrophobicContact CG1-CG2 3.78Å; V250-L308 HydrophobicContact CG1-CD2 3.91Å; V250-L308 HydrophobicContact CG1-CG 4.4Å; V250-L308 HydrophobicContact CG2-CB 4.37Å; V250-L308 HydrophobicContact CG2-CD2 3.97Å; V250-L308 HydrophobicContact CG2-CG 3.83Å; V250-A309 HydrophobicContact CB-CB 4.41Å; V250-A309 HydrophobicContact CG2-CB 3.86Å; V250-A314 HydrophobicContact CG2-CB 3.92Å; V250-V316 PolarHBondContact N-O 2.88Å; V250-V317 HydrophobicContact CB-CG2 4.06Å; V250-V317 HydrophobicContact CG1-CG2 4.16Å; V250-V317 CarbonylContact O-C 3.58Å; V250-V317 WeakPolarHBondContact O-CA 3.38Å; V250-L318 PolarHBondContact O-N 2.79Å
251H98.7Very high97.6Very high1 Ų136.1 Ų36.11%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-124.9136.2174.2177.1-114.7000111.7S253 P274 Y275 P276 V277 L318 N320H251-S253 PolarHBondContact CE1-OG 2.92Å; H251-P274 HydrophobicContact CB-CB 3.79Å; H251-P274 HydrophobicContact CB-CG 3.78Å; H251-Y275 PolarHBondContact N-O 3.17Å; H251-P276 WeakPolarHBondContact O-CA 3.25Å; H251-V277 PolarHBondContact O-N 2.79Å; H251-L318 VanDerWaalsContact CA-O 3.32Å; H251-L318 WeakPolarHBondContact CA-O 3.21Å; H251-N320 PolarHBondContact NE2-OD1 3.12Å
252T98.6Very high97.6Very high0 Ų034.1 Ų34.10%017%0.165CC..EExtended strand (participates in β ladder)trans-124.7140.8166.2-177.70000110.7V254 Q280 L302 S305 L318 A319 N320T252-V254 HydrophobicContact CG2-CG2 4.04Å; T252-V254 PolarHBondContact OG1-N 2.91Å; T252-V254 VanDerWaalsContact OG1-N 3.13Å; T252-Q280 VanDerWaalsContact OG1-CB 3.28Å; T252-Q280 WeakPolarHBondContact OG1-CB 3.22Å; T252-Q280 PolarHBondContact OG1-OE1 2.85Å; T252-L302 HydrophobicContact CG2-CD2 4.08Å; T252-S305 VanDerWaalsContact CG2-OG 3.3Å; T252-S305 WeakPolarHBondContact CG2-OG 3.08Å; T252-L318 PolarHBondContact N-O 3.07Å; T252-A319 HydrophobicContact CG2-CB 3.5Å; T252-A319 VanDerWaalsContact CG2-CB 3.5Å; T252-A319 WeakPolarHBondContact O-CA 3.46Å; T252-N320 PolarHBondContact O-N 2.61Å; T252-N320 VanDerWaalsContact O-N 3.09Å
253S97.2Very high97.6Very high0 Ų036.1 Ų36.10%017%0.174CC..  trans-100.50.6171-59.60000112.5H251 H255 G256 H259H251-S253 PolarHBondContact CE1-OG 2.92Å; S253-H255 VanDerWaalsContact C-N 3.26Å; S253-H255 PolarHBondContact O-N 2.72Å; S253-G256 VanDerWaalsContact O-CA 3.26Å; S253-G256 WeakPolarHBondContact O-CA 3.31Å; S253-G256 PolarHBondContact O-N 2.95Å; S253-H259 VanDerWaalsContact OG-CA 3.27Å; S253-H259 WeakPolarHBondContact OG-CA 3.38Å; S253-H259 WeakPolarHBondContact OG-CB 3.44Å; S253-H259 PolarHBondContact OG-N 3.01Å
254V96.3Very high97.6Very high0 Ų033.4 Ų33.40%017%0.167CC..THydrogen-bonded Turntrans50.347.3-179.1-161.80000111.6T252 G256 Q280 F287 V290 P293 V301 N320T252-V254 HydrophobicContact CG2-CG2 4.04Å; T252-V254 PolarHBondContact OG1-N 2.91Å; T252-V254 VanDerWaalsContact OG1-N 3.13Å; V254-G256 PolarHBondContact O-N 2.84Å; V254-Q280 PolarHBondContact N-O 3.01Å; V254-F287 WeakPolarHBondContact O-CD1 3.48Å; V254-V290 HydrophobicContact CG1-CG1 4.17Å; V254-V290 HydrophobicContact CG1-CG2 3.73Å; V254-P293 HydrophobicContact CG1-CB 3.95Å; V254-V301 HydrophobicContact CG1-CG1 3.84Å; V254-V301 HydrophobicContact CG2-CG1 3.88Å; V254-N320 WeakPolarHBondContact CG2-O 3.43Å
255H97.4Very high97.7Very high7 Ų725.7 Ų25.73%0.03213%0.133CC..THydrogen-bonded Turntrans62.420.8-174.6-49.1-83.7000114.8S253 E279 Q280 D282 P283 D284 F287 T289S253-H255 VanDerWaalsContact C-N 3.26Å; S253-H255 PolarHBondContact O-N 2.72Å; H255-E279 PolarHBondContact CE1-O 3.05Å; H255-Q280 PolarHBondContact N-O 3.45Å; H255-D282 WeakPolarHBondContact CA-O 3.5Å; H255-P283 VanDerWaalsContact O-CA 3.25Å; H255-P283 WeakPolarHBondContact O-CA 3.23Å; H255-D284 HydrophobicContact CB-CB 3.98Å; H255-D284 PolarHBondContact O-N 2.86Å; H255-F287 HydrophobicContact CB-CD1 3.77Å; H255-F287 HydrophobicContact CB-CE1 4.28Å; H255-T289 WeakPolarHBondContact NE2-CG2 3.02Å; H255-T289 PolarHBondContact NE2-OG1 2.55Å
256G97.1Very high97.8Very high1 Ų125.2 Ų25.21%0.0113%0.13CC..SBendtrans-91.2-174.2177.200000114.4S253 V254 G258 P322S253-G256 VanDerWaalsContact O-CA 3.26Å; S253-G256 WeakPolarHBondContact O-CA 3.31Å; S253-G256 PolarHBondContact O-N 2.95Å; V254-G256 PolarHBondContact O-N 2.84Å; G256-G258 VanDerWaalsContact C-N 3.33Å; G256-P322 CarbonylContact C-O 3.54Å; G256-P322 VanDerWaalsContact CA-O 3.27Å; G256-P322 WeakPolarHBondContact CA-O 3.37Å
257V97.4Very high98Very high5 Ų524.2 Ų24.23%0.0312%0.122CC..SBendtrans-80-13.2-179.6-51.60000113.4D105 I140 P142 H259 F261 P322 A324D105-V257 HydrophobicContact CB-CG1 4.08Å; I140-V257 HydrophobicContact CB-CG1 4.08Å; I140-V257 HydrophobicContact CD1-CB 4.48Å; I140-V257 HydrophobicContact CD1-CG1 4.14Å; I140-V257 HydrophobicContact CG1-CG1 4.44Å; P142-V257 HydrophobicContact CB-CG2 3.96Å; V257-H259 PolarHBondContact O-N 2.84Å; V257-F261 WeakPolarHBondContact O-CD2 3.26Å; V257-P322 WeakPolarHBondContact CG2-O 3.36Å; V257-P322 PolarHBondContact N-O 2.79Å; V257-A324 HydrophobicContact CG2-CB 4.25Å
258G97.5Very high98.1Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-64.8-25.5-162.800000117.1G256 T260 F261 V262G256-G258 VanDerWaalsContact C-N 3.33Å; G258-T260 PolarHBondContact O-N 3.12Å; G258-F261 PolarHBondContact O-N 3.05Å; G258-V262 WeakPolarHBondContact O-CG2 3.22Å; G258-V262 PolarHBondContact O-N 3.19Å
259H97.9Very high98.1Very high28 Ų2819 Ų1913%0.1310%0.098CC..Hα-helixtrans-58.2-60-164.7174.959.4000112.8S253 V257 F261 V262 Q263 P276 K281S253-H259 VanDerWaalsContact OG-CA 3.27Å; S253-H259 WeakPolarHBondContact OG-CA 3.38Å; S253-H259 WeakPolarHBondContact OG-CB 3.44Å; S253-H259 PolarHBondContact OG-N 3.01Å; V257-H259 PolarHBondContact O-N 2.84Å; H259-F261 PolarHBondContact O-N 3.42Å; H259-V262 PolarHBondContact O-N 2.98Å; H259-Q263 PolarHBondContact CE1-NE2 3.04Å; H259-Q263 VanDerWaalsContact O-CG 3.25Å; H259-Q263 WeakPolarHBondContact O-CG 3.48Å; H259-Q263 PolarHBondContact O-N 3.48Å; H259-P276 VanDerWaalsContact CE1-CB 3.47Å; H259-P276 WeakPolarHBondContact CE1-CB 3.3Å; H259-K281 HydrophobicContact CB-CB 4.26Å; H259-K281 WeakPolarHBondContact CB-O 3.45Å
260T97.4Very high98.1Very high93 Ų9321.2 Ų21.257%0.57111%0.11SC*.Hα-helixtrans-57.9-35.4-178.9-55.50000112.3G258 S264G258-T260 PolarHBondContact O-N 3.12Å; T260-S264 WeakPolarHBondContact O-CB 3.18Å; T260-S264 PolarHBondContact O-N 3.24Å; T260-S264 VanDerWaalsContact O-N 3.1Å; T260-S264 PolarHBondContact O-OG 3.13Å
261F98.4Very high98.1Very high8 Ų821.7 Ų21.74%0.03511%0.113CC..Hα-helixtrans-76.8-38.5-178-59.6-86000112.1P142 F145 F221 F229 V257 G258 H259 S264 A265 V440P142-F261 VanDerWaalsContact CD-CE2 3.5Å; P142-F261 VanDerWaalsContact CD-CZ 3.41Å; P142-F261 HydrophobicContact CG-CB 4.41Å; P142-F261 HydrophobicContact CG-CD1 3.9Å; P142-F261 HydrophobicContact CG-CD2 4.09Å; P142-F261 HydrophobicContact CG-CE1 4.18Å; P142-F261 HydrophobicContact CG-CE2 4.38Å; P142-F261 HydrophobicContact CG-CG 3.85Å; P142-F261 HydrophobicContact CG-CZ 4.41Å; F145-F261 HydrophobicContact CD1-CE1 4.41Å; F145-F261 HydrophobicContact CE1-CD1 4.11Å; F145-F261 AromaticContact CE1-CE1 3.72Å; F145-F261 HydrophobicContact CE1-CE1 3.72Å; F145-F261 AromaticContact CE2-CD1 3.86Å; F145-F261 HydrophobicContact CE2-CD1 3.86Å; F145-F261 HydrophobicContact CE2-CE1 4.23Å; F145-F261 AromaticContact CZ-CD1 3.5Å; F145-F261 HydrophobicContact CZ-CD1 3.5Å; F145-F261 AromaticContact CZ-CE1 3.62Å; F145-F261 HydrophobicContact CZ-CE1 3.62Å; F221-F261 HydrophobicContact CE2-CE1 4.26Å; F221-F261 HydrophobicContact CE2-CZ 4.09Å; F229-F261 HydrophobicContact CZ-CB 4.35Å; F229-F261 HydrophobicContact CZ-CD1 4.31Å; F229-F261 WeakPolarHBondContact CZ-O 3.49Å; V257-F261 WeakPolarHBondContact O-CD2 3.26Å; G258-F261 PolarHBondContact O-N 3.05Å; H259-F261 PolarHBondContact O-N 3.42Å; F261-S264 PolarHBondContact O-N 2.95Å; F261-A265 WeakPolarHBondContact O-CB 3.17Å; F261-A265 PolarHBondContact O-N 3.2Å; F261-V440 HydrophobicContact CB-CG1 3.97Å; F261-V440 HydrophobicContact CB-CG2 3.97Å
262V98.7Very high98Very high0 Ų026.8 Ų26.80%014%0.136CC..Hα-helixtrans-67.4-40.7173.7170.80000111.2G258 H259 S264 A265 F266 P274 N320 A443G258-V262 WeakPolarHBondContact O-CG2 3.22Å; G258-V262 PolarHBondContact O-N 3.19Å; H259-V262 PolarHBondContact O-N 2.98Å; V262-S264 VanDerWaalsContact C-N 3.25Å; V262-S264 PolarHBondContact O-N 3.14Å; V262-A265 PolarHBondContact O-N 2.9Å; V262-F266 HydrophobicContact CG1-CD2 3.78Å; V262-F266 HydrophobicContact CG1-CE2 3.78Å; V262-F266 VanDerWaalsContact O-CD2 3.3Å; V262-F266 WeakPolarHBondContact O-CD2 3.29Å; V262-F266 PolarHBondContact O-N 3.22Å; V262-P274 HydrophobicContact CG1-CG 4.21Å; V262-N320 VanDerWaalsContact CG2-OD1 3.27Å; V262-N320 WeakPolarHBondContact CG2-OD1 3.37Å; V262-A443 HydrophobicContact CG1-CB 4.13Å; V262-A443 HydrophobicContact CG2-CB 4.12Å
263Q98.6Very high98Very high41 Ų4130.9 Ų30.919%0.19216%0.163CC..Hα-helixtrans-57-42.9172.6-66.4-66.1-34.300111.2H259 K267 P274H259-Q263 PolarHBondContact CE1-NE2 3.04Å; H259-Q263 VanDerWaalsContact O-CG 3.25Å; H259-Q263 WeakPolarHBondContact O-CG 3.48Å; H259-Q263 PolarHBondContact O-N 3.48Å; Q263-K267 WeakPolarHBondContact O-CB 3.25Å; Q263-K267 PolarHBondContact O-N 3.2Å; Q263-P274 PolarHBondContact NE2-O 2.88Å
264S98.4Very high98Very high36 Ų3631 Ų3125%0.25216%0.164SC..Hα-helixtrans-69.5-36.4177.3-60.90000112.9T260 F261 V262 K267 A268T260-S264 WeakPolarHBondContact O-CB 3.18Å; T260-S264 PolarHBondContact O-N 3.24Å; T260-S264 VanDerWaalsContact O-N 3.1Å; T260-S264 PolarHBondContact O-OG 3.13Å; F261-S264 PolarHBondContact O-N 2.95Å; V262-S264 VanDerWaalsContact C-N 3.25Å; V262-S264 PolarHBondContact O-N 3.14Å; S264-K267 PolarHBondContact O-N 3.07Å; S264-A268 WeakPolarHBondContact O-CB 3.25Å; S264-A268 PolarHBondContact O-N 3.27Å
265A98.6Very high98.1Very high0 Ų034.9 Ų34.90%018%0.179CC..Hα-helixtrans-66.1-42.4175.500000111.8F229 I232 F261 V262 A268 F269 V440 A444F229-A265 HydrophobicContact CD1-CB 4.42Å; F229-A265 HydrophobicContact CE1-CB 3.86Å; I232-A265 HydrophobicContact CD1-CB 3.92Å; F261-A265 WeakPolarHBondContact O-CB 3.17Å; F261-A265 PolarHBondContact O-N 3.2Å; V262-A265 PolarHBondContact O-N 2.9Å; A265-A268 WeakPolarHBondContact O-CB 3.4Å; A265-A268 PolarHBondContact O-N 3.11Å; A265-F269 PolarHBondContact O-N 2.91Å; A265-V440 HydrophobicContact CB-CG1 3.83Å; A265-A444 HydrophobicContact CB-CB 3.77Å
266F98.8Very high98.2Very high1 Ų136 Ų360%0.00419%0.187CC..Hα-helixtrans-62-46.1173.7-89.9-117.2000111.3I249 V262 A268 F269 D270 L271 H272 P274 L318 A443 A444I249-F266 HydrophobicContact CD1-CE1 4.05Å; I249-F266 HydrophobicContact CD1-CZ 4.35Å; V262-F266 HydrophobicContact CG1-CD2 3.78Å; V262-F266 HydrophobicContact CG1-CE2 3.78Å; V262-F266 VanDerWaalsContact O-CD2 3.3Å; V262-F266 WeakPolarHBondContact O-CD2 3.29Å; V262-F266 PolarHBondContact O-N 3.22Å; F266-A268 VanDerWaalsContact C-N 3.29Å; F266-A268 PolarHBondContact O-N 2.84Å; F266-F269 CarbonylContact O-C 3.43Å; F266-F269 PolarHBondContact O-N 3.16Å; F266-D270 PolarHBondContact O-N 3.47Å; F266-L271 HydrophobicContact CB-CB 4.11Å; F266-L271 HydrophobicContact CD1-CB 3.57Å; F266-L271 HydrophobicContact CD1-CD1 3.91Å; F266-L271 HydrophobicContact CD1-CG 4.35Å; F266-L271 HydrophobicContact CE1-CB 4.34Å; F266-L271 HydrophobicContact CE1-CD1 4.16Å; F266-L271 HydrophobicContact CG-CB 4.13Å; F266-L271 HydrophobicContact CG-CD1 4.21Å; F266-L271 PolarHBondContact O-N 3.11Å; F266-H272 VanDerWaalsContact CD1-O 3.29Å; F266-H272 WeakPolarHBondContact CD1-O 3.38Å; F266-P274 HydrophobicContact CD1-CG 4.19Å; F266-P274 HydrophobicContact CD2-CG 4.36Å; F266-P274 HydrophobicContact CE1-CB 4.22Å; F266-P274 HydrophobicContact CE1-CG 4.14Å; F266-P274 HydrophobicContact CE2-CG 4.33Å; F266-P274 HydrophobicContact CG-CG 4.29Å; F266-P274 HydrophobicContact CZ-CB 4.43Å; F266-P274 HydrophobicContact CZ-CG 4.22Å; F266-L318 HydrophobicContact CE2-CD1 3.98Å; F266-L318 HydrophobicContact CZ-CD1 3.59Å; F266-A443 HydrophobicContact CE2-CB 4.26Å; F266-A443 WeakPolarHBondContact CE2-O 3.33Å; F266-A444 HydrophobicContact CD2-CB 4.42Å
267K98.6Very high98.2Very high162 Ų16236 Ų3670%0.70419%0.187SC*.Hα-helixtrans-58.1-41.8174-177.6-179.6179.1-178.50112Q263 S264 F269 D270Q263-K267 WeakPolarHBondContact O-CB 3.25Å; Q263-K267 PolarHBondContact O-N 3.2Å; S264-K267 PolarHBondContact O-N 3.07Å; K267-F269 PolarHBondContact O-N 2.88Å; K267-D270 PolarHBondContact O-N 3.5Å
268A98.3Very high98.3Very high6 Ų641 Ų415%0.0521%0.21CC..Hα-helixtrans-60-30.5177.600000112.5F229 Q233 R239 S264 A265 F266F229-A268 HydrophobicContact CB-CB 4.34Å; F229-A268 HydrophobicContact CD1-CB 4.38Å; Q233-A268 HydrophobicContact CG-CB 3.74Å; Q233-A268 VanDerWaalsContact CG-O 3.31Å; Q233-A268 WeakPolarHBondContact CG-O 3.34Å; R239-A268 PolarHBondContact NH1-O 3.35Å; R239-A268 PolarHBondContact NH2-O 2.85Å; S264-A268 WeakPolarHBondContact O-CB 3.25Å; S264-A268 PolarHBondContact O-N 3.27Å; A265-A268 WeakPolarHBondContact O-CB 3.4Å; A265-A268 PolarHBondContact O-N 3.11Å; F266-A268 VanDerWaalsContact C-N 3.29Å; F266-A268 PolarHBondContact O-N 2.84Å
269F98.6Very high98.3Very high0 Ų046.4 Ų46.40%024%0.235CC..THydrogen-bonded Turntrans-91.84.6178.4-81.5-136.4000113.1I232 H235 C236 N242 A265 F266 K267 L271 A444 I445 E448I232-F269 HydrophobicContact CB-CE2 4.38Å; I232-F269 HydrophobicContact CD1-CE2 4.22Å; I232-F269 HydrophobicContact CG1-CE2 4.05Å; I232-F269 VanDerWaalsContact O-CE2 3.26Å; I232-F269 WeakPolarHBondContact O-CE2 3.46Å; I232-F269 WeakPolarHBondContact O-CZ 3.27Å; H235-F269 HydrophobicContact CB-CZ 4.36Å; C236-F269 HydrophobicContact CB-CB 4.5Å; C236-F269 HydrophobicContact CB-CD1 3.81Å; C236-F269 HydrophobicContact CB-CD2 3.99Å; C236-F269 HydrophobicContact CB-CE1 3.9Å; C236-F269 HydrophobicContact CB-CE2 4.08Å; C236-F269 HydrophobicContact CB-CG 3.84Å; C236-F269 HydrophobicContact CB-CZ 4.03Å; N242-F269 WeakPolarHBondContact CB-O 3.42Å; N242-F269 PolarHBondContact ND2-O 2.86Å; A265-F269 PolarHBondContact O-N 2.91Å; F266-F269 CarbonylContact O-C 3.43Å; F266-F269 PolarHBondContact O-N 3.16Å; K267-F269 PolarHBondContact O-N 2.88Å; F269-L271 HydrophobicContact CB-CD1 3.81Å; F269-L271 HydrophobicContact CB-CG 4.04Å; F269-L271 PolarHBondContact O-N 3.29Å; F269-A444 HydrophobicContact CD1-CB 4.06Å; F269-A444 HydrophobicContact CD2-CB 4.1Å; F269-A444 HydrophobicContact CE1-CB 4.23Å; F269-A444 HydrophobicContact CE2-CB 4.28Å; F269-A444 HydrophobicContact CG-CB 4.01Å; F269-A444 HydrophobicContact CZ-CB 4.35Å; F269-I445 HydrophobicContact CE1-CG1 3.73Å; F269-I445 HydrophobicContact CZ-CG1 3.85Å; F269-E448 HydrophobicContact CD1-CB 4.17Å
270D98.5Very high98.3Very high56 Ų5645.1 Ų45.130%0.29923%0.229SC..THydrogen-bonded Turntrans53.332-169.9-59.9-32.4000113.6R239 N242 K243 F266 K267R239-D270 WeakPolarHBondContact CD-OD2 3.31Å; R239-D270 HydrophobicContact CG-CB 4.01Å; R239-D270 WeakPolarHBondContact CG-OD2 3.27Å; R239-D270 IonicContact CZ-OD2 3.27Å; R239-D270 IonicContact NE-OD2 3.77Å; R239-D270 IonicContact NH1-OD1 2.87Å; R239-D270 PolarHBondContact NH1-OD1 3.43Å; R239-D270 IonicContact NH1-OD2 3.66Å; R239-D270 PolarHBondContact NH1-OD2 3.01Å; N242-D270 CarbonylContact C-O 3.31Å; N242-D270 VanDerWaalsContact C-O 3.31Å; K243-D270 WeakPolarHBondContact CA-O 3.24Å; K243-D270 HydrophobicContact CD-CB 4.37Å; K243-D270 WeakPolarHBondContact CE-OD2 3.48Å; K243-D270 HydrophobicContact CG-CB 3.63Å; K243-D270 PolarHBondContact N-O 2.95Å; K243-D270 IonicContact NZ-OD2 3.8Å; F266-D270 PolarHBondContact O-N 3.47Å; K267-D270 PolarHBondContact O-N 3.5Å
271L98.6Very high98.3Very high11 Ų1142.4 Ų42.46%0.05821%0.21CC..PPolyproline II helixtrans-83.6150.8171.3-70.3161.9000110.3N242 F266 F269 A444 S451N242-L271 HydrophobicContact CB-CD2 3.54Å; N242-L271 HydrophobicContact CB-CG 3.85Å; F266-L271 HydrophobicContact CB-CB 4.11Å; F266-L271 HydrophobicContact CD1-CB 3.57Å; F266-L271 HydrophobicContact CD1-CD1 3.91Å; F266-L271 HydrophobicContact CD1-CG 4.35Å; F266-L271 HydrophobicContact CE1-CB 4.34Å; F266-L271 HydrophobicContact CE1-CD1 4.16Å; F266-L271 HydrophobicContact CG-CB 4.13Å; F266-L271 HydrophobicContact CG-CD1 4.21Å; F266-L271 PolarHBondContact O-N 3.11Å; F269-L271 HydrophobicContact CB-CD1 3.81Å; F269-L271 HydrophobicContact CB-CG 4.04Å; F269-L271 PolarHBondContact O-N 3.29Å; L271-A444 WeakPolarHBondContact CD1-O 3.04Å; L271-S451 WeakPolarHBondContact CD2-OG 3.27Å
272H97.5Very high98.2Very high107 Ų10746.2 Ų46.250%0.49523%0.23SC..PPolyproline II helixtrans-63.2136.4167.7-67.6144.4000110.8S245 F266S245-H272 PolarHBondContact O-CE1 2.69Å; S245-H272 PolarHBondContact O-ND1 3.37Å; F266-H272 VanDerWaalsContact CD1-O 3.29Å; F266-H272 WeakPolarHBondContact CD1-O 3.38Å
273P97.6Very high98.1Very high86 Ų8648.8 Ų48.856%0.55825%0.247SC*.PPolyproline II helixtrans-58.9134.3-178.523.7-33000110.8
274P98.3Very high98.1Very high3 Ų349.3 Ų49.32%0.01925%0.251CS..PPolyproline II helixtrans-70.5147.3178.229.7-32.3000110.1I249 H251 V262 Q263 F266 P276I249-P274 HydrophobicContact CB-CB 4.23Å; I249-P274 HydrophobicContact CG2-CB 4.04Å; I249-P274 CarbonylContact O-C 3.6Å; I249-P274 VanDerWaalsContact O-CA 3.22Å; I249-P274 WeakPolarHBondContact O-CA 3.43Å; I249-P274 WeakPolarHBondContact O-CB 3.49Å; H251-P274 HydrophobicContact CB-CB 3.79Å; H251-P274 HydrophobicContact CB-CG 3.78Å; V262-P274 HydrophobicContact CG1-CG 4.21Å; Q263-P274 PolarHBondContact NE2-O 2.88Å; F266-P274 HydrophobicContact CD1-CG 4.19Å; F266-P274 HydrophobicContact CD2-CG 4.36Å; F266-P274 HydrophobicContact CE1-CB 4.22Å; F266-P274 HydrophobicContact CE1-CG 4.14Å; F266-P274 HydrophobicContact CE2-CG 4.33Å; F266-P274 HydrophobicContact CG-CG 4.29Å; F266-P274 HydrophobicContact CZ-CB 4.43Å; F266-P274 HydrophobicContact CZ-CG 4.22Å; P274-P276 WeakPolarHBondContact O-CD 3.5Å
275Y98.7Very high97.9Very high81 Ų8149.2 Ų49.232%0.31825%0.249SC..EExtended strand (participates in β ladder)trans-66.8117.8177.7-68.2-91.5000110K248 I249 V250 H251 E312K248-Y275 HydrophobicContact CB-CD2 4.31Å; K248-Y275 HydrophobicContact CB-CE2 3.77Å; K248-Y275 HydrophobicContact CD-CE2 3.92Å; K248-Y275 HydrophobicContact CG-CE2 3.81Å; I249-Y275 WeakPolarHBondContact O-CD2 3.48Å; I249-Y275 PolarHBondContact O-N 2.85Å; V250-Y275 CarbonylContact C-O 3.43Å; V250-Y275 WeakPolarHBondContact CA-O 3.5Å; H251-Y275 PolarHBondContact N-O 3.17Å; Y275-E312 HydrophobicContact CD1-CB 4.33Å; Y275-E312 HydrophobicContact CD1-CG 3.79Å; Y275-E312 HydrophobicContact CE1-CB 4.38Å; Y275-E312 HydrophobicContact CE1-CG 4.15Å; Y275-E312 HydrophobicContact CG-CB 4.41Å; Y275-E312 HydrophobicContact CG-CG 4.1Å
276P98.3Very high97.7Very high32 Ų3252.9 Ų52.921%0.20827%0.267CS..EExtended strand (participates in β ladder)trans-77.9139.7-179.230.6-33.3000111.8H251 H259 P274 E278 K281 L308H251-P276 WeakPolarHBondContact O-CA 3.25Å; H259-P276 VanDerWaalsContact CE1-CB 3.47Å; H259-P276 WeakPolarHBondContact CE1-CB 3.3Å; P274-P276 WeakPolarHBondContact O-CD 3.5Å; P276-E278 WeakPolarHBondContact CG-OE1 3.43Å; P276-E278 PolarHBondContact O-N 3.28Å; P276-K281 HydrophobicContact CB-CB 4.09Å; P276-K281 HydrophobicContact CB-CD 3.95Å; P276-K281 HydrophobicContact CG-CD 4.29Å; P276-L308 WeakPolarHBondContact O-CD2 3.26Å
277V98.5Very high97.6Very high0 Ų053.3 Ų53.30%027%0.268CS..  trans-71.197.8161.9-177.30000107.9V250 H251 E279 Q280 K281 L304 L308V250-V277 HydrophobicContact CG1-CG2 3.78Å; H251-V277 PolarHBondContact O-N 2.79Å; V277-E279 PolarHBondContact O-N 3.06Å; V277-E279 VanDerWaalsContact O-N 3.13Å; V277-Q280 HydrophobicContact CB-CB 4.27Å; V277-Q280 HydrophobicContact CG1-CB 4.01Å; V277-Q280 HydrophobicContact CG1-CG 3.97Å; V277-Q280 CarbonylContact O-C 3.6Å; V277-Q280 PolarHBondContact O-N 3.26Å; V277-K281 WeakPolarHBondContact O-CB 3.48Å; V277-K281 PolarHBondContact O-N 3.16Å; V277-L304 HydrophobicContact CG1-CB 3.79Å; V277-L308 HydrophobicContact CB-CD2 4.42Å; V277-L308 HydrophobicContact CG2-CD2 3.88Å
278E98.1Very high97.4Very high109 Ų10949.7 Ų49.751%0.50926%0.262SS..THydrogen-bonded Turntrans-49.9-39.7-175.4-69.9-62.4142.900112.9P276 Q280 K281P276-E278 WeakPolarHBondContact CG-OE1 3.43Å; P276-E278 PolarHBondContact O-N 3.28Å; E278-Q280 PolarHBondContact O-N 3.13Å; E278-K281 WeakPolarHBondContact OE2-CE 3.49Å
279E97.9Very high97.3Very high114 Ų11452.2 Ų52.253%0.53328%0.276SS..THydrogen-bonded Turntrans-72.6-10.2-179.7-5789.3159.100114.1H255 V277 T289 L304H255-E279 PolarHBondContact CE1-O 3.05Å; V277-E279 PolarHBondContact O-N 3.06Å; V277-E279 VanDerWaalsContact O-N 3.13Å; E279-T289 HydrophobicContact CB-CG2 4.35Å; E279-L304 HydrophobicContact CB-CD1 4.09Å
280Q97.6Very high97Very high1 Ų153.3 Ų53.31%0.00528%0.283CS..THydrogen-bonded Turntrans-132.40.2-174.7-62.8-173.8-47.800113.8T252 V254 H255 V277 E278 T289 L304T252-Q280 VanDerWaalsContact OG1-CB 3.28Å; T252-Q280 WeakPolarHBondContact OG1-CB 3.22Å; T252-Q280 PolarHBondContact OG1-OE1 2.85Å; V254-Q280 PolarHBondContact N-O 3.01Å; H255-Q280 PolarHBondContact N-O 3.45Å; V277-Q280 HydrophobicContact CB-CB 4.27Å; V277-Q280 HydrophobicContact CG1-CB 4.01Å; V277-Q280 HydrophobicContact CG1-CG 3.97Å; V277-Q280 CarbonylContact O-C 3.6Å; V277-Q280 PolarHBondContact O-N 3.26Å; E278-Q280 PolarHBondContact O-N 3.13Å; Q280-T289 HydrophobicContact CG-CG2 4.48Å; Q280-T289 PolarHBondContact NE2-OG1 3.12Å; Q280-L304 HydrophobicContact CG-CD1 4.02Å
281K97.4Very high96.5Very high37 Ų3760.9 Ų60.916%0.16131%0.313CS..SBendtrans-76.4-34-174.373.8177.2179.562.10112.7H259 P276 V277 E278H259-K281 HydrophobicContact CB-CB 4.26Å; H259-K281 WeakPolarHBondContact CB-O 3.45Å; P276-K281 HydrophobicContact CB-CB 4.09Å; P276-K281 HydrophobicContact CB-CD 3.95Å; P276-K281 HydrophobicContact CG-CD 4.29Å; V277-K281 WeakPolarHBondContact O-CB 3.48Å; V277-K281 PolarHBondContact O-N 3.16Å; E278-K281 WeakPolarHBondContact OE2-CE 3.49Å
282D97.3Very high96Very high88 Ų8863.4 Ų63.447%0.47132%0.322SS..SBendtrans-90.7141-175.8-63.1-45.5000110.4H255 D284H255-D282 WeakPolarHBondContact CA-O 3.5Å; D282-D284 PolarHBondContact O-N 3.13Å
283P96.9Very high95.7Very high53 Ų5358.4 Ų58.434%0.34430%0.299SS..  trans-62.6125.8178.2-11.115.2000112.8A106 I140 H255A106-P283 HydrophobicContact CB-CB 3.41Å; A106-P283 VanDerWaalsContact CB-CB 3.41Å; I140-P283 HydrophobicContact CD1-CB 3.93Å; I140-P283 HydrophobicContact CD1-CG 3.21Å; H255-P283 VanDerWaalsContact O-CA 3.25Å; H255-P283 WeakPolarHBondContact O-CA 3.23Å
284D96.8Very high95.5Very high53 Ų5354.5 Ų54.528%0.28327%0.274SS..  trans-137.3115.1177.3-173.1-23.7000110.2H255 D282 E286 F287 P288H255-D284 HydrophobicContact CB-CB 3.98Å; H255-D284 PolarHBondContact O-N 2.86Å; D282-D284 PolarHBondContact O-N 3.13Å; D284-E286 PolarHBondContact O-N 3.33Å; D284-E286 VanDerWaalsContact O-N 3.14Å; D284-E286 WeakPolarHBondContact OD1-CB 3.23Å; D284-E286 PolarHBondContact OD1-N 3.08Å; D284-F287 PolarHBondContact O-N 2.96Å; D284-F287 VanDerWaalsContact O-N 3.16Å; D284-P288 WeakPolarHBondContact OD2-CD 3.29Å; D284-P288 WeakPolarHBondContact OD2-CG 3.39Å
285P95.3Very high95.3Very high33 Ų3354.3 Ų54.321%0.21427%0.273CS..THydrogen-bonded Turntrans-64.3-16.9-178.527.9-36000114.1A108 K168 F287A108-P285 HydrophobicContact CB-CB 3.85Å; A108-P285 HydrophobicContact CB-CG 4.06Å; K168-P285 WeakPolarHBondContact CB-O 3.49Å; P285-F287 VanDerWaalsContact O-CD2 3.28Å; P285-F287 WeakPolarHBondContact O-CD2 3.19Å; P285-F287 WeakPolarHBondContact O-CE2 3.38Å
286E95.3Very high94.8Very high78 Ų7854.5 Ų54.536%0.36428%0.276SS..THydrogen-bonded Turntrans-86.4-13.2179.4-66.7-60.6135.500113.4K168 D284K168-E286 WeakPolarHBondContact CD-O 3.47Å; K168-E286 IonicContact NZ-OE2 3.15Å; K168-E286 PolarHBondContact NZ-OE2 3.33Å; D284-E286 PolarHBondContact O-N 3.33Å; D284-E286 VanDerWaalsContact O-N 3.14Å; D284-E286 WeakPolarHBondContact OD1-CB 3.23Å; D284-E286 PolarHBondContact OD1-N 3.08Å
287F94.8Very high94.3Very high9 Ų958.4 Ų58.44%0.03929%0.292CS..  trans4653.6-176.7-54.9-85000113K168 V254 H255 D284 P285 T289 V290 P293 P322K168-F287 HydrophobicContact CB-CD2 3.6Å; K168-F287 HydrophobicContact CB-CE2 3.88Å; V254-F287 WeakPolarHBondContact O-CD1 3.48Å; H255-F287 HydrophobicContact CB-CD1 3.77Å; H255-F287 HydrophobicContact CB-CE1 4.28Å; D284-F287 PolarHBondContact O-N 2.96Å; D284-F287 VanDerWaalsContact O-N 3.16Å; P285-F287 VanDerWaalsContact O-CD2 3.28Å; P285-F287 WeakPolarHBondContact O-CD2 3.19Å; P285-F287 WeakPolarHBondContact O-CE2 3.38Å; F287-T289 PolarHBondContact O-N 3.25Å; F287-V290 HydrophobicContact CB-CG2 3.98Å; F287-V290 PolarHBondContact O-N 2.87Å; F287-V290 VanDerWaalsContact O-N 3.09Å; F287-P293 HydrophobicContact CD1-CB 3.42Å; F287-P293 VanDerWaalsContact CD1-CB 3.42Å; F287-P293 HydrophobicContact CD1-CG 3.79Å; F287-P293 HydrophobicContact CD2-CG 4.29Å; F287-P293 HydrophobicContact CE1-CB 3.74Å; F287-P293 HydrophobicContact CE1-CG 3.87Å; F287-P293 HydrophobicContact CE2-CG 4.31Å; F287-P293 HydrophobicContact CG-CB 3.99Å; F287-P293 HydrophobicContact CG-CG 4.02Å; F287-P293 HydrophobicContact CZ-CB 4.48Å; F287-P293 HydrophobicContact CZ-CG 4.11Å; F287-P322 HydrophobicContact CD1-CG 4.47Å; F287-P322 HydrophobicContact CE1-CB 3.89Å; F287-P322 HydrophobicContact CE1-CG 3.56Å; F287-P322 HydrophobicContact CZ-CB 4.13Å; F287-P322 HydrophobicContact CZ-CG 4.03Å
288P95.9Very high93.8Very high87 Ų8758.8 Ų58.857%0.56530%0.296SS*.THydrogen-bonded Turntrans-63-20.9-159.824.7-36.9000115.3D284D284-P288 WeakPolarHBondContact OD2-CD 3.29Å; D284-P288 WeakPolarHBondContact OD2-CG 3.39Å
289T95.3Very high93.3Very high58 Ų5859 Ų5936%0.35630%0.295SS..THydrogen-bonded Turntrans-96.7-4.7-177.475.90000113.7H255 E279 Q280 F287 L304H255-T289 WeakPolarHBondContact NE2-CG2 3.02Å; H255-T289 PolarHBondContact NE2-OG1 2.55Å; E279-T289 HydrophobicContact CB-CG2 4.35Å; Q280-T289 HydrophobicContact CG-CG2 4.48Å; Q280-T289 PolarHBondContact NE2-OG1 3.12Å; F287-T289 PolarHBondContact O-N 3.25Å; T289-L304 HydrophobicContact CG2-CD1 3.99Å
290V93.1Very high92.8Very high23 Ų2356.5 Ų56.514%0.13930%0.301CS..  trans-138.9146.2-175.5-68.80000111.9V254 F287 P293 V301V254-V290 HydrophobicContact CG1-CG1 4.17Å; V254-V290 HydrophobicContact CG1-CG2 3.73Å; F287-V290 HydrophobicContact CB-CG2 3.98Å; F287-V290 PolarHBondContact O-N 2.87Å; F287-V290 VanDerWaalsContact O-N 3.09Å; V290-P293 HydrophobicContact CG2-CB 4.18Å; V290-V301 HydrophobicContact CG1-CB 4.48Å; V290-V301 HydrophobicContact CG1-CG1 4.21Å; V290-V301 HydrophobicContact CG1-CG2 4.37Å
291K88.1Confident92.6Very high215 Ų21557 Ų5794%0.93530%0.303SS*.SBendtrans-74.4-37.4173.9-176.1179.3176.8-174.90112
292Y87.4Confident92.5Very high64 Ų6455.3 Ų55.325%0.25130%0.296SS..SBendtrans-138.1119.8-178.1-165.6-120.1000108.3H165 P167 N294 E297 V301H165-Y292 AromaticContact CD2-CE1 3.79Å; H165-Y292 AromaticContact CD2-CZ 3.73Å; H165-Y292 PolarHBondContact CD2-OH 2.98Å; H165-Y292 VanDerWaalsContact O-CE2 3.22Å; H165-Y292 WeakPolarHBondContact O-CE2 3.2Å; H165-Y292 PolarHBondContact O-OH 2.89Å; P167-Y292 HydrophobicContact CG-CD2 4.35Å; P167-Y292 HydrophobicContact CG-CE2 3.94Å; Y292-N294 HydrophobicContact CD1-CB 3.31Å; Y292-N294 HydrophobicContact CE1-CB 3.31Å; Y292-N294 HydrophobicContact CG-CB 4.37Å; Y292-N294 PolarHBondContact O-N 3.28Å; Y292-E297 HydrophobicContact CD1-CG 3.94Å; Y292-V301 WeakPolarHBondContact O-CG2 3.25Å
293P91.3Very high92.5Very high2 Ų255.2 Ų55.21%0.01330%0.299CS..  trans-83.659.4-174.836.9-37.2000110.7V254 F287 V290 P322V254-P293 HydrophobicContact CG1-CB 3.95Å; F287-P293 HydrophobicContact CD1-CB 3.42Å; F287-P293 VanDerWaalsContact CD1-CB 3.42Å; F287-P293 HydrophobicContact CD1-CG 3.79Å; F287-P293 HydrophobicContact CD2-CG 4.29Å; F287-P293 HydrophobicContact CE1-CB 3.74Å; F287-P293 HydrophobicContact CE1-CG 3.87Å; F287-P293 HydrophobicContact CE2-CG 4.31Å; F287-P293 HydrophobicContact CG-CB 3.99Å; F287-P293 HydrophobicContact CG-CG 4.02Å; F287-P293 HydrophobicContact CZ-CB 4.48Å; F287-P293 HydrophobicContact CZ-CG 4.11Å; V290-P293 HydrophobicContact CG2-CB 4.18Å; P293-P322 HydrophobicContact CB-CG 3.65Å; P293-P322 HydrophobicContact CG-CG 3.86Å; P293-P322 WeakPolarHBondContact O-CD 3.05Å
294N93.8Very high92.5Very high4 Ų455.4 Ų55.42%0.02130%0.297CS..  trans-125.3110.1179.5-176.215.2000109.9H165 Y292 E296 E297 V301H165-N294 HydrophobicContact CB-CB 3.87Å; Y292-N294 HydrophobicContact CD1-CB 3.31Å; Y292-N294 HydrophobicContact CE1-CB 3.31Å; Y292-N294 HydrophobicContact CG-CB 4.37Å; Y292-N294 PolarHBondContact O-N 3.28Å; N294-E296 PolarHBondContact ND2-OE2 3.42Å; N294-E296 PolarHBondContact O-N 3.38Å; N294-E296 VanDerWaalsContact O-N 3.12Å; N294-E296 VanDerWaalsContact OD1-CB 3.3Å; N294-E296 WeakPolarHBondContact OD1-CB 3.36Å; N294-E296 PolarHBondContact OD1-N 3.08Å; N294-E297 HydrophobicContact CB-CG 4.02Å; N294-E297 WeakPolarHBondContact O-CB 3.11Å; N294-E297 WeakPolarHBondContact O-CG 3.46Å; N294-E297 PolarHBondContact O-N 3.31Å; N294-E297 VanDerWaalsContact O-N 3.08Å; N294-V301 WeakPolarHBondContact O-CG2 3.29Å
295P93Very high92.6Very high0 Ų052.9 Ų52.90%028%0.283CS..G310 helixtrans-65.9-14.4-179.427.5-34.1000113.4E297 G298 A319 D321 A328 I426P295-E297 PolarHBondContact O-N 3.06Å; P295-G298 PolarHBondContact O-N 3.12Å; P295-G298 VanDerWaalsContact O-N 3.16Å; P295-A319 HydrophobicContact CB-CB 3.76Å; P295-D321 HydrophobicContact CG-CB 4.2Å; P295-A328 HydrophobicContact CB-CB 3.77Å; P295-A328 HydrophobicContact CG-CB 4.39Å; P295-I426 HydrophobicContact CG-CD1 3.76Å
296E89.3Confident92.8Very high84 Ų8452.4 Ų52.439%0.39328%0.278SS..G310 helixtrans-63.7-23.4171.5-163-172.9165.100113.2N294 G298 R326 I426N294-E296 PolarHBondContact ND2-OE2 3.42Å; N294-E296 PolarHBondContact O-N 3.38Å; N294-E296 VanDerWaalsContact O-N 3.12Å; N294-E296 VanDerWaalsContact OD1-CB 3.3Å; N294-E296 WeakPolarHBondContact OD1-CB 3.36Å; N294-E296 PolarHBondContact OD1-N 3.08Å; E296-G298 PolarHBondContact O-N 3.24Å; E296-G298 VanDerWaalsContact O-N 3.13Å; E296-R326 IonicContact OE2-NH1 2.76Å; E296-I426 HydrophobicContact CB-CD1 3.85Å; E296-I426 HydrophobicContact CB-CG1 4.27Å
297E87.4Confident92.9Very high114 Ų11451.7 Ų51.753%0.53329%0.285SS..G310 helixtrans-67.1-10.7175.1-57.2-63.5133.100112.4Y292 N294 P295 V301Y292-E297 HydrophobicContact CD1-CG 3.94Å; N294-E297 HydrophobicContact CB-CG 4.02Å; N294-E297 WeakPolarHBondContact O-CB 3.11Å; N294-E297 WeakPolarHBondContact O-CG 3.46Å; N294-E297 PolarHBondContact O-N 3.31Å; N294-E297 VanDerWaalsContact O-N 3.08Å; P295-E297 PolarHBondContact O-N 3.06Å; E297-V301 HydrophobicContact CB-CG2 3.97Å; E297-V301 HydrophobicContact CG-CG2 4.47Å
298G88.5Confident93.1Very high8 Ų851.9 Ų51.98%0.08229%0.287CS..THydrogen-bonded Turntrans71.6-130172.600000113.4P295 E296 G300 V301 L302P295-G298 PolarHBondContact O-N 3.12Å; P295-G298 VanDerWaalsContact O-N 3.16Å; E296-G298 PolarHBondContact O-N 3.24Å; E296-G298 VanDerWaalsContact O-N 3.13Å; G298-G300 PolarHBondContact O-N 3.26Å; G298-V301 PolarHBondContact O-N 3.36Å; G298-V301 VanDerWaalsContact O-N 3.08Å; G298-L302 WeakPolarHBondContact O-CG 3.39Å; G298-L302 PolarHBondContact O-N 3.21Å
299K87.3Confident93.2Very high113 Ų11347.8 Ų47.849%0.49126%0.26SS..Hα-helixtrans-54.8-35.6-164-66.5-172.3176.3-176.10113.9V301 L302 T303 F306 W338 V340K299-V301 VanDerWaalsContact C-N 3.34Å; K299-V301 PolarHBondContact O-N 3.01Å; K299-L302 PolarHBondContact O-N 2.84Å; K299-T303 PolarHBondContact O-N 2.88Å; K299-T303 PolarHBondContact O-OG1 3.12Å; K299-T303 VanDerWaalsContact O-OG1 3.12Å; K299-F306 HydrophobicContact CB-CE2 4.21Å; K299-F306 HydrophobicContact CG-CE2 4.06Å; K299-W338 VanDerWaalsContact CE-O 3.24Å; K299-W338 WeakPolarHBondContact CE-O 3.27Å; K299-V340 HydrophobicContact CG-CG2 4.15Å
300G87.1Confident93.3Very high63 Ų6349.3 Ų49.365%0.64926%0.263SS*.Hα-helixtrans-58.9-44.1-179.800000112.8G298 T303G298-G300 PolarHBondContact O-N 3.26Å; G300-T303 PolarHBondContact O-OG1 3.16Å
301V92.8Very high93.5Very high11 Ų1156.5 Ų56.57%0.06729%0.288CS..Hα-helixtrans-78.1-25.6-179172.30000112.2V254 V290 Y292 N294 E297 G298 K299V254-V301 HydrophobicContact CG1-CG1 3.84Å; V254-V301 HydrophobicContact CG2-CG1 3.88Å; V290-V301 HydrophobicContact CG1-CB 4.48Å; V290-V301 HydrophobicContact CG1-CG1 4.21Å; V290-V301 HydrophobicContact CG1-CG2 4.37Å; Y292-V301 WeakPolarHBondContact O-CG2 3.25Å; N294-V301 WeakPolarHBondContact O-CG2 3.29Å; E297-V301 HydrophobicContact CB-CG2 3.97Å; E297-V301 HydrophobicContact CG-CG2 4.47Å; G298-V301 PolarHBondContact O-N 3.36Å; G298-V301 VanDerWaalsContact O-N 3.08Å; K299-V301 VanDerWaalsContact C-N 3.34Å; K299-V301 PolarHBondContact O-N 3.01Å
302L96.8Very high94Very high1 Ų148.6 Ų48.61%0.00525%0.254CS..Hα-helixtrans-97.16.3-173.7-59179.7000114.9T252 G298 K299 L304 S305 F306 V317 A319 A330 V340T252-L302 HydrophobicContact CG2-CD2 4.08Å; G298-L302 WeakPolarHBondContact O-CG 3.39Å; G298-L302 PolarHBondContact O-N 3.21Å; K299-L302 PolarHBondContact O-N 2.84Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-L304 PolarHBondContact O-N 2.95Å; L302-S305 WeakPolarHBondContact O-CA 3.35Å; L302-S305 WeakPolarHBondContact O-CB 3.48Å; L302-S305 PolarHBondContact O-N 3.01Å; L302-F306 HydrophobicContact CB-CD1 4.42Å; L302-F306 HydrophobicContact CB-CD2 4.41Å; L302-F306 HydrophobicContact CB-CE1 3.86Å; L302-F306 HydrophobicContact CB-CE2 3.86Å; L302-F306 HydrophobicContact CB-CZ 3.55Å; L302-F306 HydrophobicContact CD1-CE1 4.19Å; L302-F306 HydrophobicContact CD1-CZ 3.93Å; L302-F306 HydrophobicContact CG-CZ 4.4Å; L302-F306 WeakPolarHBondContact O-CD2 3.45Å; L302-F306 WeakPolarHBondContact O-CG 3.36Å; L302-F306 PolarHBondContact O-N 3.06Å; L302-V317 HydrophobicContact CD2-CG1 4.25Å; L302-A319 HydrophobicContact CD2-CB 3.54Å; L302-A330 HydrophobicContact CD1-CB 4.14Å; L302-V340 HydrophobicContact CD1-CG1 4.43Å; L302-V340 HydrophobicContact CD1-CG2 4.05Å
303T96.5Very high94.4Very high86 Ų8648.4 Ų48.453%0.52827%0.271SS..Hα-helixtrans-55.1-46.4-176.1-610000112.5K299 G300 S305 F306 A307K299-T303 PolarHBondContact O-N 2.88Å; K299-T303 PolarHBondContact O-OG1 3.12Å; K299-T303 VanDerWaalsContact O-OG1 3.12Å; G300-T303 PolarHBondContact O-OG1 3.16Å; T303-S305 VanDerWaalsContact C-N 3.34Å; T303-F306 PolarHBondContact O-N 3.13Å; T303-A307 PolarHBondContact O-N 2.97Å; T303-A307 VanDerWaalsContact O-N 3.09Å
304L97.9Very high94.7Very high58 Ų5848.4 Ų48.430%0.30427%0.272SS..Hα-helixtrans-66.4-37.7177.6-65.9174.9000111.8V277 E279 Q280 T289 L302 A307 L308V277-L304 HydrophobicContact CG1-CB 3.79Å; E279-L304 HydrophobicContact CB-CD1 4.09Å; Q280-L304 HydrophobicContact CG-CD1 4.02Å; T289-L304 HydrophobicContact CG2-CD1 3.99Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-L304 PolarHBondContact O-N 2.95Å; L304-A307 PolarHBondContact O-N 3.03Å; L304-L308 PolarHBondContact O-N 2.93Å
305S98.3Very high94.8Very high0 Ų050.8 Ų50.80%029%0.288CS..Hα-helixtrans-63.9-41.6176.6-43.40000112.2T252 L302 T303 L308 A309T252-S305 VanDerWaalsContact CG2-OG 3.3Å; T252-S305 WeakPolarHBondContact CG2-OG 3.08Å; L302-S305 WeakPolarHBondContact O-CA 3.35Å; L302-S305 WeakPolarHBondContact O-CB 3.48Å; L302-S305 PolarHBondContact O-N 3.01Å; T303-S305 VanDerWaalsContact C-N 3.34Å; S305-L308 PolarHBondContact O-N 2.88Å; S305-A309 VanDerWaalsContact O-CB 3.3Å; S305-A309 WeakPolarHBondContact O-CB 3.44Å; S305-A309 PolarHBondContact O-N 3.42Å
306F98.3Very high95Very high23 Ų2350.9 Ų50.910%0.10129%0.289CS..Hα-helixtrans-64.7-45.1174.8-60.1-28.4000111.3K299 L302 T303 L308 A309 E310 V317 A330 W338 V340K299-F306 HydrophobicContact CB-CE2 4.21Å; K299-F306 HydrophobicContact CG-CE2 4.06Å; L302-F306 HydrophobicContact CB-CD1 4.42Å; L302-F306 HydrophobicContact CB-CD2 4.41Å; L302-F306 HydrophobicContact CB-CE1 3.86Å; L302-F306 HydrophobicContact CB-CE2 3.86Å; L302-F306 HydrophobicContact CB-CZ 3.55Å; L302-F306 HydrophobicContact CD1-CE1 4.19Å; L302-F306 HydrophobicContact CD1-CZ 3.93Å; L302-F306 HydrophobicContact CG-CZ 4.4Å; L302-F306 WeakPolarHBondContact O-CD2 3.45Å; L302-F306 WeakPolarHBondContact O-CG 3.36Å; L302-F306 PolarHBondContact O-N 3.06Å; T303-F306 PolarHBondContact O-N 3.13Å; F306-L308 VanDerWaalsContact C-N 3.32Å; F306-L308 PolarHBondContact O-N 2.74Å; F306-A309 PolarHBondContact O-N 3.17Å; F306-A309 VanDerWaalsContact O-N 3.15Å; F306-E310 WeakPolarHBondContact O-CG 3.16Å; F306-E310 PolarHBondContact O-N 3Å; F306-V317 HydrophobicContact CD1-CG2 4.04Å; F306-V317 HydrophobicContact CE1-CG2 4.34Å; F306-A330 HydrophobicContact CE1-CB 3.68Å; F306-A330 HydrophobicContact CZ-CB 4.13Å; F306-W338 HydrophobicContact CB-CD2 4.44Å; F306-W338 HydrophobicContact CB-CG 4.36Å; F306-W338 HydrophobicContact CD1-CB 4.1Å; F306-W338 AromaticContact CD1-CD1 3.99Å; F306-W338 AromaticContact CD1-CD2 3.28Å; F306-W338 HydrophobicContact CD1-CD2 3.28Å; F306-W338 AromaticContact CD1-CE2 3.69Å; F306-W338 AromaticContact CD1-CE3 3.57Å; F306-W338 HydrophobicContact CD1-CE3 3.57Å; F306-W338 AromaticContact CD1-CG 3.52Å; F306-W338 HydrophobicContact CD1-CG 3.52Å; F306-W338 HydrophobicContact CD1-CZ2 4.29Å; F306-W338 HydrophobicContact CD1-CZ3 4.18Å; F306-W338 HydrophobicContact CD2-CB 4.25Å; F306-W338 HydrophobicContact CD2-CG 4.11Å; F306-W338 HydrophobicContact CE1-CB 3.84Å; F306-W338 AromaticContact CE1-CD2 3.61Å; F306-W338 HydrophobicContact CE1-CD2 3.61Å; F306-W338 AromaticContact CE1-CE3 3.56Å; F306-W338 HydrophobicContact CE1-CE3 3.56Å; F306-W338 AromaticContact CE1-CG 3.75Å; F306-W338 HydrophobicContact CE1-CG 3.75Å; F306-W338 HydrophobicContact CE1-CZ3 4.35Å; F306-W338 HydrophobicContact CE2-CB 3.98Å; F306-W338 HydrophobicContact CE2-CG 4.29Å; F306-W338 HydrophobicContact CG-CB 4.32Å; F306-W338 AromaticContact CG-CD1 3.8Å; F306-W338 AromaticContact CG-CD2 3.92Å; F306-W338 HydrophobicContact CG-CD2 3.92Å; F306-W338 AromaticContact CG-CG 3.74Å; F306-W338 HydrophobicContact CG-CG 3.74Å; F306-W338 HydrophobicContact CZ-CB 3.77Å; F306-W338 HydrophobicContact CZ-CD2 4.44Å; F306-W338 HydrophobicContact CZ-CG 4.12Å; F306-V340 HydrophobicContact CZ-CG2 4.1Å
307A97.9Very high95.5Very high62 Ų6247 Ų4751%0.51227%0.271SS..Hα-helixtrans-59.7-42.3177.600000112.3T303 L304 R311T303-A307 PolarHBondContact O-N 2.97Å; T303-A307 VanDerWaalsContact O-N 3.09Å; L304-A307 PolarHBondContact O-N 3.03Å; A307-R311 PolarHBondContact O-N 3.09Å; A307-R311 VanDerWaalsContact O-N 3.17Å
308L98.6Very high96Very high14 Ų1441.5 Ų41.57%0.07325%0.245CC..Hα-helixtrans-63.9-45.1173.7178.261.8000111.6V250 P276 V277 L304 S305 F306 E310 R311 E312V250-L308 HydrophobicContact CG1-CD2 3.91Å; V250-L308 HydrophobicContact CG1-CG 4.4Å; V250-L308 HydrophobicContact CG2-CB 4.37Å; V250-L308 HydrophobicContact CG2-CD2 3.97Å; V250-L308 HydrophobicContact CG2-CG 3.83Å; P276-L308 WeakPolarHBondContact O-CD2 3.26Å; V277-L308 HydrophobicContact CB-CD2 4.42Å; V277-L308 HydrophobicContact CG2-CD2 3.88Å; L304-L308 PolarHBondContact O-N 2.93Å; S305-L308 PolarHBondContact O-N 2.88Å; F306-L308 VanDerWaalsContact C-N 3.32Å; F306-L308 PolarHBondContact O-N 2.74Å; L308-E310 VanDerWaalsContact C-N 3.3Å; L308-E310 PolarHBondContact O-N 2.92Å; L308-R311 VanDerWaalsContact CD1-CZ 3.48Å; L308-R311 WeakPolarHBondContact O-CB 3.43Å; L308-R311 PolarHBondContact O-N 2.77Å; L308-E312 HydrophobicContact CD1-CG 3.68Å; L308-E312 HydrophobicContact CG-CG 4.2Å; L308-E312 WeakPolarHBondContact O-CG 3.37Å; L308-E312 PolarHBondContact O-N 2.83Å
309A98.3Very high96.5Very high0 Ų041.1 Ų41.10%024%0.241CC..Hα-helixtrans-61.6-39.5-179.400000112V250 S305 F306 R311 G313 A314 V317 W338V250-A309 HydrophobicContact CB-CB 4.41Å; V250-A309 HydrophobicContact CG2-CB 3.86Å; S305-A309 VanDerWaalsContact O-CB 3.3Å; S305-A309 WeakPolarHBondContact O-CB 3.44Å; S305-A309 PolarHBondContact O-N 3.42Å; F306-A309 PolarHBondContact O-N 3.17Å; F306-A309 VanDerWaalsContact O-N 3.15Å; A309-R311 PolarHBondContact O-N 3.16Å; A309-G313 CarbonylContact O-C 3.6Å; A309-G313 WeakPolarHBondContact O-CA 3.43Å; A309-G313 PolarHBondContact O-N 2.85Å; A309-A314 HydrophobicContact CB-CB 3.98Å; A309-A314 PolarHBondContact O-N 3.26Å; A309-V317 HydrophobicContact CB-CG2 4.14Å; A309-W338 HydrophobicContact CB-CH2 3.5Å; A309-W338 VanDerWaalsContact CB-CH2 3.5Å; A309-W338 HydrophobicContact CB-CZ2 3.43Å; A309-W338 VanDerWaalsContact CB-CZ2 3.43Å
310E97.3Very high97Very high90 Ų9035.8 Ų35.842%0.42122%0.218SC..Hα-helixtrans-60.4-42.8171.8-67.8-57.9148.800112.3F306 L308 K332 W338F306-E310 WeakPolarHBondContact O-CG 3.16Å; F306-E310 PolarHBondContact O-N 3Å; L308-E310 VanDerWaalsContact C-N 3.3Å; L308-E310 PolarHBondContact O-N 2.92Å; E310-K332 WeakPolarHBondContact OE1-CD 3.42Å; E310-K332 WeakPolarHBondContact OE1-CE 3.49Å; E310-K332 IonicContact OE1-NZ 3.09Å; E310-K332 PolarHBondContact OE1-NZ 2.89Å; E310-K332 IonicContact OE2-NZ 3.39Å; E310-K332 PolarHBondContact OE2-NZ 3.41Å; E310-W338 PolarHBondContact OE1-NE1 3.15Å; E310-W338 VanDerWaalsContact OE1-NE1 3.15Å
311R97.9Very high97.5Very high175 Ų17532.8 Ų32.866%0.6619%0.187SC*.Hα-helixtrans-66.5-44.2180-172.4-178.473.7-163.27112.7A307 L308 A309 G313A307-R311 PolarHBondContact O-N 3.09Å; A307-R311 VanDerWaalsContact O-N 3.17Å; L308-R311 VanDerWaalsContact CD1-CZ 3.48Å; L308-R311 WeakPolarHBondContact O-CB 3.43Å; L308-R311 PolarHBondContact O-N 2.77Å; A309-R311 PolarHBondContact O-N 3.16Å; R311-G313 VanDerWaalsContact C-N 3.34Å
312E97.8Very high97.7Very high49 Ų4932.4 Ų32.423%0.22919%0.185CC..Hα-helixtrans-84-11.7-177.3-57.2-54.214500112.8K248 Y275 L308K248-E312 WeakPolarHBondContact CD-O 3.39Å; K248-E312 PolarHBondContact NZ-O 3.38Å; Y275-E312 HydrophobicContact CD1-CB 4.33Å; Y275-E312 HydrophobicContact CD1-CG 3.79Å; Y275-E312 HydrophobicContact CE1-CB 4.38Å; Y275-E312 HydrophobicContact CE1-CG 4.15Å; Y275-E312 HydrophobicContact CG-CB 4.41Å; Y275-E312 HydrophobicContact CG-CG 4.1Å; L308-E312 HydrophobicContact CD1-CG 3.68Å; L308-E312 HydrophobicContact CG-CG 4.2Å; L308-E312 WeakPolarHBondContact O-CG 3.37Å; L308-E312 PolarHBondContact O-N 2.83Å
313G96.7Very high97.7Very high59 Ų5932.3 Ų32.361%0.60819%0.185SC*.THydrogen-bonded Turntrans7230.7-171.900000113A309 R311A309-G313 CarbonylContact O-C 3.6Å; A309-G313 WeakPolarHBondContact O-CA 3.43Å; A309-G313 PolarHBondContact O-N 2.85Å; R311-G313 VanDerWaalsContact C-N 3.34Å
314A97.8Very high97.8Very high3 Ų328.2 Ų28.23%0.02516%0.159CC..  trans-81.3142.3173.700000111.3K248 V250 A309K248-A314 HydrophobicContact CB-CB 3.82Å; K248-A314 WeakPolarHBondContact O-CA 3.48Å; K248-A314 VanDerWaalsContact O-CB 3.27Å; K248-A314 WeakPolarHBondContact O-CB 3.33Å; V250-A314 HydrophobicContact CG2-CB 3.92Å; A309-A314 HydrophobicContact CB-CB 3.98Å; A309-A314 PolarHBondContact O-N 3.26Å
315S95Very high97.7Very high53 Ų5325.6 Ų25.637%0.37115%0.145SC..SBendtrans-101.2-11.6178.7550000113.2E331 K332S315-E331 WeakPolarHBondContact O-CA 3.44Å; S315-K332 PolarHBondContact O-N 3.22Å
316V98.4Very high97.7Very high3 Ų327.1 Ų27.12%0.01815%0.151CC..EExtended strand (participates in β ladder)trans-132.3139.3-176.4-1760000111.4I249 V250 L318 I329 A330 I450 L460I249-V316 HydrophobicContact CG1-CB 4.49Å; V250-V316 PolarHBondContact N-O 2.88Å; V316-L318 HydrophobicContact CG1-CD2 4.24Å; V316-I329 HydrophobicContact CG1-CG2 3.72Å; V316-A330 WeakPolarHBondContact CA-O 3.37Å; V316-I450 HydrophobicContact CB-CD1 4.35Å; V316-I450 HydrophobicContact CG1-CD1 3.71Å; V316-I450 HydrophobicContact CG2-CD1 4.34Å; V316-I450 HydrophobicContact CG2-CG2 4.32Å; V316-L460 HydrophobicContact CG1-CD1 4.38Å; V316-L460 HydrophobicContact CG2-CD1 4.36Å
317V98.8Very high97.7Very high1 Ų126 Ų261%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-115.8132.7170.7170.20000108.9V250 L302 F306 A309 I329 A330 W338V250-V317 HydrophobicContact CB-CG2 4.06Å; V250-V317 HydrophobicContact CG1-CG2 4.16Å; V250-V317 CarbonylContact O-C 3.58Å; V250-V317 WeakPolarHBondContact O-CA 3.38Å; L302-V317 HydrophobicContact CD2-CG1 4.25Å; F306-V317 HydrophobicContact CD1-CG2 4.04Å; F306-V317 HydrophobicContact CE1-CG2 4.34Å; A309-V317 HydrophobicContact CB-CG2 4.14Å; V317-I329 VanDerWaalsContact O-CA 3.29Å; V317-I329 WeakPolarHBondContact O-CA 3.27Å; V317-A330 HydrophobicContact CB-CB 4.33Å; V317-A330 PolarHBondContact N-O 2.9Å; V317-A330 PolarHBondContact O-N 2.93Å; V317-W338 HydrophobicContact CB-CZ3 4.45Å; V317-W338 HydrophobicContact CG2-CH2 3.95Å; V317-W338 HydrophobicContact CG2-CZ3 3.84Å
318L98.8Very high97.8Very high0 Ų023.2 Ų23.20%012%0.123CC..EExtended strand (participates in β ladder)trans-108.4137.9167.1-56.1-176.9000109.3I249 V250 H251 T252 F266 V316 L327 I329 A443 A446 I450I249-L318 HydrophobicContact CG2-CD1 3.78Å; I249-L318 HydrophobicContact CG2-CG 3.69Å; V250-L318 PolarHBondContact O-N 2.79Å; H251-L318 VanDerWaalsContact CA-O 3.32Å; H251-L318 WeakPolarHBondContact CA-O 3.21Å; T252-L318 PolarHBondContact N-O 3.07Å; F266-L318 HydrophobicContact CE2-CD1 3.98Å; F266-L318 HydrophobicContact CZ-CD1 3.59Å; V316-L318 HydrophobicContact CG1-CD2 4.24Å; L318-L327 HydrophobicContact CB-CD1 4.18Å; L318-I329 HydrophobicContact CD2-CB 4.25Å; L318-I329 HydrophobicContact CD2-CD1 3.69Å; L318-I329 HydrophobicContact CD2-CG1 3.59Å; L318-I329 HydrophobicContact CD2-CG2 3.99Å; L318-A443 HydrophobicContact CD1-CB 4.2Å; L318-A446 HydrophobicContact CD2-CB 4.5Å; L318-I450 HydrophobicContact CD2-CD1 4.5Å
319A98.6Very high97.8Very high0 Ų022.5 Ų22.50%012%0.119CC..EExtended strand (participates in β ladder)trans-137.6128.1178.700000111.7T252 P295 L302 L327 A328T252-A319 HydrophobicContact CG2-CB 3.5Å; T252-A319 VanDerWaalsContact CG2-CB 3.5Å; T252-A319 WeakPolarHBondContact O-CA 3.46Å; P295-A319 HydrophobicContact CB-CB 3.76Å; L302-A319 HydrophobicContact CD2-CB 3.54Å; A319-L327 CarbonylContact O-C 3.55Å; A319-L327 WeakPolarHBondContact O-CA 3.38Å; A319-A328 HydrophobicContact CB-CB 4.42Å; A319-A328 PolarHBondContact N-O 2.77Å; A319-A328 PolarHBondContact O-N 2.88Å
320N98.3Very high97.8Very high0 Ų022.5 Ų22.50%012%0.119CC..EExtended strand (participates in β ladder)trans-100.1156.2170.7-63.1113.1000111.1H251 T252 V254 V262 A324 R326 G439H251-N320 PolarHBondContact NE2-OD1 3.12Å; T252-N320 PolarHBondContact O-N 2.61Å; T252-N320 VanDerWaalsContact O-N 3.09Å; V254-N320 WeakPolarHBondContact CG2-O 3.43Å; V262-N320 VanDerWaalsContact CG2-OD1 3.27Å; V262-N320 WeakPolarHBondContact CG2-OD1 3.37Å; N320-A324 HydrophobicContact CB-CB 4.15Å; N320-R326 WeakPolarHBondContact CA-O 3.16Å; N320-R326 PolarHBondContact ND2-O 3.23Å; N320-G439 PolarHBondContact ND2-O 2.88Å
321D96.8Very high97.8Very high0 Ų018.7 Ų18.70%010%0.101CC..  trans-79.9172.3165.677.4-40.3000111.1S164 H165 P295 D323 A324 D325 R326S164-D321 PolarHBondContact OG-OD2 3.07Å; H165-D321 HydrophobicContact CB-CB 4.19Å; P295-D321 HydrophobicContact CG-CB 4.2Å; D321-D323 VanDerWaalsContact C-N 3.3Å; D321-D323 PolarHBondContact O-N 2.84Å; D321-D323 VanDerWaalsContact O-N 3.16Å; D321-A324 WeakPolarHBondContact O-CA 3.48Å; D321-A324 PolarHBondContact O-N 2.64Å; D321-A324 PolarHBondContact OD1-N 2.76Å; D321-D325 PolarHBondContact OD1-N 3.18Å; D321-D325 VanDerWaalsContact OD1-N 3.14Å; D321-R326 HydrophobicContact CB-CB 4.21Å; D321-R326 WeakPolarHBondContact OD1-CB 3.28Å; D321-R326 PolarHBondContact OD1-N 2.65Å; D321-R326 WeakPolarHBondContact OD2-CD 3.1Å; D321-R326 IonicContact OD2-NE 2.83Å
322P96.4Very high97.8Very high3 Ų313.8 Ų13.82%0.0199%0.085CC..THydrogen-bonded Turntrans-59.7-31-167.1-3238.3000116.6S164 G256 V257 F287 P293S164-P322 WeakPolarHBondContact O-CB 3.49Å; S164-P322 WeakPolarHBondContact O-CD 3.47Å; S164-P322 WeakPolarHBondContact O-CG 3.33Å; G256-P322 CarbonylContact C-O 3.54Å; G256-P322 VanDerWaalsContact CA-O 3.27Å; G256-P322 WeakPolarHBondContact CA-O 3.37Å; V257-P322 WeakPolarHBondContact CG2-O 3.36Å; V257-P322 PolarHBondContact N-O 2.79Å; F287-P322 HydrophobicContact CD1-CG 4.47Å; F287-P322 HydrophobicContact CE1-CB 3.89Å; F287-P322 HydrophobicContact CE1-CG 3.56Å; F287-P322 HydrophobicContact CZ-CB 4.13Å; F287-P322 HydrophobicContact CZ-CG 4.03Å; P293-P322 HydrophobicContact CB-CG 3.65Å; P293-P322 HydrophobicContact CG-CG 3.86Å; P293-P322 WeakPolarHBondContact O-CD 3.05Å
323D97.3Very high97.7Very high0 Ų013.7 Ų13.70%09%0.085CC..THydrogen-bonded Turntrans-99.76.6175.769.5-29.5000113.4P142 T143 M160 T162 S164 K174 D321 D325P142-D323 WeakPolarHBondContact CA-O 3.32Å; T143-D323 PolarHBondContact N-O 3.03Å; T143-D323 WeakPolarHBondContact OG1-CB 3.4Å; T143-D323 VanDerWaalsContact OG1-CG 3.27Å; T143-D323 PolarHBondContact OG1-OD2 2.88Å; M160-D323 HydrophobicContact CE-CB 4.41Å; T162-D323 HydrophobicContact CG2-CB 4.17Å; T162-D323 WeakPolarHBondContact CG2-OD2 3.26Å; T162-D323 WeakPolarHBondContact OG1-CB 3.36Å; S164-D323 VanDerWaalsContact CA-OD1 3.22Å; S164-D323 WeakPolarHBondContact CA-OD1 3.32Å; S164-D323 VanDerWaalsContact CB-OD1 3.27Å; S164-D323 WeakPolarHBondContact CB-OD1 3.4Å; S164-D323 WeakPolarHBondContact CB-OD2 3.38Å; S164-D323 PolarHBondContact OG-OD1 2.95Å; K174-D323 IonicContact NZ-OD2 3.95Å; K174-D323 PolarHBondContact NZ-OD2 2.93Å; D321-D323 VanDerWaalsContact C-N 3.3Å; D321-D323 PolarHBondContact O-N 2.84Å; D321-D323 VanDerWaalsContact O-N 3.16Å; D323-D325 PolarHBondContact O-N 3.18Å
324A97.9Very high97.4Very high0 Ų019.4 Ų19.40%010%0.1CC..SBendtrans55.630.8173.700000115.3P142 V257 N320 D321 G439 V440P142-A324 HydrophobicContact CB-CB 3.94Å; V257-A324 HydrophobicContact CG2-CB 4.25Å; N320-A324 HydrophobicContact CB-CB 4.15Å; D321-A324 WeakPolarHBondContact O-CA 3.48Å; D321-A324 PolarHBondContact O-N 2.64Å; D321-A324 PolarHBondContact OD1-N 2.76Å; A324-G439 WeakPolarHBondContact O-CA 3.22Å; A324-G439 PolarHBondContact O-N 3.35Å; A324-G439 VanDerWaalsContact O-N 3.14Å; A324-V440 HydrophobicContact CB-CG2 4Å
325D97.5Very high97.2Very high2 Ų223.5 Ų23.51%0.01113%0.129CC..  trans-86.2-16170.882.14.4000112.2T143 K174 D321 D323 K437 G439T143-D325 HydrophobicContact CG2-CB 4.08Å; K174-D325 IonicContact NZ-OD2 2.97Å; K174-D325 PolarHBondContact NZ-OD2 3.09Å; D321-D325 PolarHBondContact OD1-N 3.18Å; D321-D325 VanDerWaalsContact OD1-N 3.14Å; D323-D325 PolarHBondContact O-N 3.18Å; D325-K437 HydrophobicContact CB-CB 4.11Å; D325-K437 CarbonylContact O-C 3.55Å; D325-K437 WeakPolarHBondContact O-CB 3.2Å; D325-K437 WeakPolarHBondContact OD1-CE 3.22Å; D325-K437 WeakPolarHBondContact OD2-CE 3.36Å; D325-K437 IonicContact OD2-NZ 3.85Å; D325-K437 PolarHBondContact OD2-NZ 2.95Å; D325-G439 PolarHBondContact O-N 2.73Å
326R97.9Very high97.1Very high33 Ų3322.6 Ų22.613%0.12513%0.128CC..BIsolated β-bridgetrans-112.9160.2178.3-68.8161.6-168.4-136.7-7.5113.9H165 E296 N320 D321 I426H165-R326 PolarHBondContact CE1-NH1 3.49Å; H165-R326 VanDerWaalsContact CE1-NH1 3.32Å; H165-R326 PolarHBondContact CE1-NH2 2.85Å; H165-R326 VanDerWaalsContact ND1-CZ 3.31Å; H165-R326 PolarHBondContact ND1-NH1 3.35Å; E296-R326 IonicContact OE2-NH1 2.76Å; N320-R326 WeakPolarHBondContact CA-O 3.16Å; N320-R326 PolarHBondContact ND2-O 3.23Å; D321-R326 HydrophobicContact CB-CB 4.21Å; D321-R326 WeakPolarHBondContact OD1-CB 3.28Å; D321-R326 PolarHBondContact OD1-N 2.65Å; D321-R326 WeakPolarHBondContact OD2-CD 3.1Å; D321-R326 IonicContact OD2-NE 2.83Å; R326-I426 VanDerWaalsContact CA-O 3.29Å; R326-I426 WeakPolarHBondContact CA-O 3.49Å; R326-I426 HydrophobicContact CB-CD1 3.83Å; R326-I426 HydrophobicContact CB-CG1 3.87Å; R326-I426 WeakPolarHBondContact CB-O 3.34Å; R326-I426 HydrophobicContact CG-CD1 4.33Å; R326-I426 HydrophobicContact CG-CG1 3.96Å
327L98.5Very high96.9Very high0 Ų028.2 Ų28.20%015%0.154CC..EExtended strand (participates in β ladder)trans-137.8124.5174.1179.168.6000111.5L318 A319 I329 I426 Y428 A442 A443 A446L318-L327 HydrophobicContact CB-CD1 4.18Å; A319-L327 CarbonylContact O-C 3.55Å; A319-L327 WeakPolarHBondContact O-CA 3.38Å; L327-I329 HydrophobicContact CD2-CD1 4.11Å; L327-I329 HydrophobicContact CD2-CG1 4.23Å; L327-I329 HydrophobicContact CG-CG1 4.15Å; L327-I426 PolarHBondContact N-O 3.33Å; L327-I426 WeakPolarHBondContact O-CB 3.31Å; L327-Y428 HydrophobicContact CB-CD2 4.13Å; L327-Y428 HydrophobicContact CB-CE2 4.14Å; L327-Y428 VanDerWaalsContact O-CE2 3.31Å; L327-Y428 WeakPolarHBondContact O-CE2 3.28Å; L327-A442 HydrophobicContact CB-CB 4.39Å; L327-A442 HydrophobicContact CD2-CB 3.74Å; L327-A443 HydrophobicContact CD1-CB 4.06Å; L327-A443 HydrophobicContact CD2-CB 4.45Å; L327-A446 HydrophobicContact CD2-CB 4.36Å
328A98.4Very high96.9Very high2 Ų229.2 Ų29.22%0.01716%0.158CC..EExtended strand (participates in β ladder)trans-105.4151.9162.400000110.4P295 A319 I426P295-A328 HydrophobicContact CB-CB 3.77Å; P295-A328 HydrophobicContact CG-CB 4.39Å; A319-A328 HydrophobicContact CB-CB 4.42Å; A319-A328 PolarHBondContact N-O 2.77Å; A319-A328 PolarHBondContact O-N 2.88Å; A328-I426 HydrophobicContact CB-CD1 4.45Å
329I98.6Very high96.8Very high0 Ų032.5 Ų32.50%017%0.17CC..EExtended strand (participates in β ladder)trans-131.2139.1175.6-51.3-172.3000108.8V316 V317 L318 L327 F341 L346 A446 L460V316-I329 HydrophobicContact CG1-CG2 3.72Å; V317-I329 VanDerWaalsContact O-CA 3.29Å; V317-I329 WeakPolarHBondContact O-CA 3.27Å; L318-I329 HydrophobicContact CD2-CB 4.25Å; L318-I329 HydrophobicContact CD2-CD1 3.69Å; L318-I329 HydrophobicContact CD2-CG1 3.59Å; L318-I329 HydrophobicContact CD2-CG2 3.99Å; L327-I329 HydrophobicContact CD2-CD1 4.11Å; L327-I329 HydrophobicContact CD2-CG1 4.23Å; L327-I329 HydrophobicContact CG-CG1 4.15Å; I329-F341 HydrophobicContact CG2-CD2 4.42Å; I329-F341 WeakPolarHBondContact O-CD2 3.22Å; I329-F341 PolarHBondContact O-N 2.77Å; I329-L346 HydrophobicContact CB-CD1 4.03Å; I329-L346 HydrophobicContact CB-CD2 3.84Å; I329-L346 HydrophobicContact CD1-CD2 3.98Å; I329-L346 HydrophobicContact CG1-CD1 3.92Å; I329-L346 HydrophobicContact CG1-CD2 4.03Å; I329-A446 HydrophobicContact CD1-CB 3.62Å; I329-L460 HydrophobicContact CG2-CD1 3.84Å
330A98.5Very high96.7Very high0 Ų034.4 Ų34.40%018%0.181CC..EExtended strand (participates in β ladder)trans-129.2145.5170.400000110.9L302 F306 V316 V317 W338 R339 V340L302-A330 HydrophobicContact CD1-CB 4.14Å; F306-A330 HydrophobicContact CE1-CB 3.68Å; F306-A330 HydrophobicContact CZ-CB 4.13Å; V316-A330 WeakPolarHBondContact CA-O 3.37Å; V317-A330 HydrophobicContact CB-CB 4.33Å; V317-A330 PolarHBondContact N-O 2.9Å; V317-A330 PolarHBondContact O-N 2.93Å; A330-W338 HydrophobicContact CB-CE3 4.13Å; A330-R339 CarbonylContact C-O 3.49Å; A330-R339 WeakPolarHBondContact CA-O 3.29Å; A330-R339 WeakPolarHBondContact CB-O 3.22Å; A330-V340 HydrophobicContact CB-CG2 4.09Å
331E98Very high96.7Very high9 Ų934.6 Ų34.64%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-126.7136-179.9176.6-176.7-10700110.9S315 Q333 W338 R339 F341 S459 L460 S461S315-E331 WeakPolarHBondContact O-CA 3.44Å; E331-Q333 PolarHBondContact O-N 3.31Å; E331-Q333 PolarHBondContact O-NE2 3.33Å; E331-Q333 PolarHBondContact OE2-NE2 2.7Å; E331-W338 VanDerWaalsContact C-CE3 3.47Å; E331-R339 PolarHBondContact N-O 3.07Å; E331-R339 PolarHBondContact O-N 2.67Å; E331-F341 HydrophobicContact CB-CE2 3.65Å; E331-F341 HydrophobicContact CB-CZ 4.14Å; E331-S459 WeakPolarHBondContact OE1-CA 3.14Å; E331-S459 WeakPolarHBondContact OE1-CB 3.42Å; E331-S459 PolarHBondContact OE1-OG 2.65Å; E331-S459 PolarHBondContact OE2-OG 3.46Å; E331-L460 WeakPolarHBondContact OE1-CB 3.4Å; E331-L460 PolarHBondContact OE1-N 3.29Å; E331-S461 WeakPolarHBondContact OE2-CB 3.46Å; E331-S461 PolarHBondContact OE2-N 3.06Å; E331-S461 PolarHBondContact OE2-OG 2.55Å; E331-S461 VanDerWaalsContact OE2-OG 3.11Å
332K97.3Very high96.7Very high73 Ų7336.8 Ų36.832%0.31720%0.197SC..EExtended strand (participates in β ladder)trans-73116.1170.3-169175.2-179.7177.30110.1E310 S315 W338E310-K332 WeakPolarHBondContact OE1-CD 3.42Å; E310-K332 WeakPolarHBondContact OE1-CE 3.49Å; E310-K332 IonicContact OE1-NZ 3.09Å; E310-K332 PolarHBondContact OE1-NZ 2.89Å; E310-K332 IonicContact OE2-NZ 3.39Å; E310-K332 PolarHBondContact OE2-NZ 3.41Å; S315-K332 PolarHBondContact O-N 3.22Å; K332-W338 HydrophobicContact CB-CD2 4.15Å; K332-W338 HydrophobicContact CB-CE3 4.17Å; K332-W338 HydrophobicContact CB-CH2 3.85Å; K332-W338 HydrophobicContact CB-CZ2 3.81Å; K332-W338 HydrophobicContact CB-CZ3 4.04Å; K332-W338 HydrophobicContact CD-CZ2 4.2Å; K332-W338 HydrophobicContact CG-CZ2 4.31Å
333Q95.9Very high96.7Very high47 Ų4736.9 Ų36.922%0.2220%0.199CC..  trans-78162.8179.4-56-57.9-76.700111.2E331 S335 G336 Q337 R339 S461E331-Q333 PolarHBondContact O-N 3.31Å; E331-Q333 PolarHBondContact O-NE2 3.33Å; E331-Q333 PolarHBondContact OE2-NE2 2.7Å; Q333-S335 PolarHBondContact O-N 3.2Å; Q333-S335 VanDerWaalsContact O-N 3.1Å; Q333-G336 WeakPolarHBondContact O-CA 3.36Å; Q333-G336 PolarHBondContact O-N 3.14Å; Q333-Q337 WeakPolarHBondContact CB-O 3.4Å; Q333-Q337 WeakPolarHBondContact CG-O 3.22Å; Q333-Q337 PolarHBondContact N-O 2.71Å; Q333-R339 HydrophobicContact CG-CB 3.81Å; Q333-S461 PolarHBondContact NE2-OG 3.09Å; Q333-S461 VanDerWaalsContact NE2-OG 3.15Å; Q333-S461 PolarHBondContact OE1-OG 3.49Å
334L91.1Very high96.7Very high179 Ų17937.3 Ų37.394%0.93720%0.201SC*.THydrogen-bonded Turntrans-57.9-24.9175.8-64.4177.3000113.3G336L334-G336 PolarHBondContact O-N 3.17Å
335S93.2Very high96.8Very high89 Ų8939.1 Ų39.162%0.62221%0.21SC*.THydrogen-bonded Turntrans-72-4.5173.2610000114Q333 Q337Q333-S335 PolarHBondContact O-N 3.2Å; Q333-S335 VanDerWaalsContact O-N 3.1Å; S335-Q337 PolarHBondContact O-N 2.63Å; S335-Q337 PolarHBondContact OG-N 2.87Å
336G92.9Very high96.8Very high34 Ų3439.1 Ų39.135%0.35121%0.21SC..SBendtrans80.9-5.1-172.100000114.2Q333 L334Q333-G336 WeakPolarHBondContact O-CA 3.36Å; Q333-G336 PolarHBondContact O-N 3.14Å; L334-G336 PolarHBondContact O-N 3.17Å
337Q95Very high96.8Very high121 Ų12137.5 Ų37.557%0.56520%0.204SC*.PPolyproline II helixtrans-84.2144.4178.7-64.5-62.3-46.400111.8Q333 S335Q333-Q337 WeakPolarHBondContact CB-O 3.4Å; Q333-Q337 WeakPolarHBondContact CG-O 3.22Å; Q333-Q337 PolarHBondContact N-O 2.71Å; S335-Q337 PolarHBondContact O-N 2.63Å; S335-Q337 PolarHBondContact OG-N 2.87Å
338W96.8Very high96.8Very high22 Ų2237.7 Ų37.78%0.08321%0.205CC..EExtended strand (participates in β ladder)trans-82.1125.4172.4-73.890.7000111.3K299 F306 A309 E310 V317 A330 E331 K332K299-W338 VanDerWaalsContact CE-O 3.24Å; K299-W338 WeakPolarHBondContact CE-O 3.27Å; F306-W338 HydrophobicContact CB-CD2 4.44Å; F306-W338 HydrophobicContact CB-CG 4.36Å; F306-W338 HydrophobicContact CD1-CB 4.1Å; F306-W338 AromaticContact CD1-CD1 3.99Å; F306-W338 AromaticContact CD1-CD2 3.28Å; F306-W338 HydrophobicContact CD1-CD2 3.28Å; F306-W338 AromaticContact CD1-CE2 3.69Å; F306-W338 AromaticContact CD1-CE3 3.57Å; F306-W338 HydrophobicContact CD1-CE3 3.57Å; F306-W338 AromaticContact CD1-CG 3.52Å; F306-W338 HydrophobicContact CD1-CG 3.52Å; F306-W338 HydrophobicContact CD1-CZ2 4.29Å; F306-W338 HydrophobicContact CD1-CZ3 4.18Å; F306-W338 HydrophobicContact CD2-CB 4.25Å; F306-W338 HydrophobicContact CD2-CG 4.11Å; F306-W338 HydrophobicContact CE1-CB 3.84Å; F306-W338 AromaticContact CE1-CD2 3.61Å; F306-W338 HydrophobicContact CE1-CD2 3.61Å; F306-W338 AromaticContact CE1-CE3 3.56Å; F306-W338 HydrophobicContact CE1-CE3 3.56Å; F306-W338 AromaticContact CE1-CG 3.75Å; F306-W338 HydrophobicContact CE1-CG 3.75Å; F306-W338 HydrophobicContact CE1-CZ3 4.35Å; F306-W338 HydrophobicContact CE2-CB 3.98Å; F306-W338 HydrophobicContact CE2-CG 4.29Å; F306-W338 HydrophobicContact CG-CB 4.32Å; F306-W338 AromaticContact CG-CD1 3.8Å; F306-W338 AromaticContact CG-CD2 3.92Å; F306-W338 HydrophobicContact CG-CD2 3.92Å; F306-W338 AromaticContact CG-CG 3.74Å; F306-W338 HydrophobicContact CG-CG 3.74Å; F306-W338 HydrophobicContact CZ-CB 3.77Å; F306-W338 HydrophobicContact CZ-CD2 4.44Å; F306-W338 HydrophobicContact CZ-CG 4.12Å; A309-W338 HydrophobicContact CB-CH2 3.5Å; A309-W338 VanDerWaalsContact CB-CH2 3.5Å; A309-W338 HydrophobicContact CB-CZ2 3.43Å; A309-W338 VanDerWaalsContact CB-CZ2 3.43Å; E310-W338 PolarHBondContact OE1-NE1 3.15Å; E310-W338 VanDerWaalsContact OE1-NE1 3.15Å; V317-W338 HydrophobicContact CB-CZ3 4.45Å; V317-W338 HydrophobicContact CG2-CH2 3.95Å; V317-W338 HydrophobicContact CG2-CZ3 3.84Å; A330-W338 HydrophobicContact CB-CE3 4.13Å; E331-W338 VanDerWaalsContact C-CE3 3.47Å; K332-W338 HydrophobicContact CB-CD2 4.15Å; K332-W338 HydrophobicContact CB-CE3 4.17Å; K332-W338 HydrophobicContact CB-CH2 3.85Å; K332-W338 HydrophobicContact CB-CZ2 3.81Å; K332-W338 HydrophobicContact CB-CZ3 4.04Å; K332-W338 HydrophobicContact CD-CZ2 4.2Å; K332-W338 HydrophobicContact CG-CZ2 4.31Å
339R96.7Very high96.9Very high69 Ų6937.6 Ų37.626%0.2620%0.204SC..EExtended strand (participates in β ladder)trans-98.8124168.2-179.9-175.2-176.1174.43.9108.4A330 E331 Q333 E345 S461A330-R339 CarbonylContact C-O 3.49Å; A330-R339 WeakPolarHBondContact CA-O 3.29Å; A330-R339 WeakPolarHBondContact CB-O 3.22Å; E331-R339 PolarHBondContact N-O 3.07Å; E331-R339 PolarHBondContact O-N 2.67Å; Q333-R339 HydrophobicContact CG-CB 3.81Å; R339-E345 IonicContact CZ-OE1 3.37Å; R339-E345 IonicContact NH2-OE1 2.67Å; R339-E345 PolarHBondContact NH2-OE1 3.19Å; R339-S461 WeakPolarHBondContact CD-OG 3.44Å; R339-S461 PolarHBondContact NH1-OG 3.04Å
340V97.4Very high96.9Very high39 Ų3937.6 Ų37.624%0.23620%0.204CC..EExtended strand (participates in β ladder)trans-92.6125.3166.2-174.80000106.8K299 L302 F306 A330K299-V340 HydrophobicContact CG-CG2 4.15Å; L302-V340 HydrophobicContact CD1-CG1 4.43Å; L302-V340 HydrophobicContact CD1-CG2 4.05Å; F306-V340 HydrophobicContact CZ-CG2 4.1Å; A330-V340 HydrophobicContact CB-CG2 4.09Å
341F97.6Very high96.9Very high4 Ų437.7 Ų37.72%0.01821%0.205CC..PPolyproline II helixtrans-77.5137.8176.3-66-86.5000109.7I329 E331 E345 L346 L349 L460 L464I329-F341 HydrophobicContact CG2-CD2 4.42Å; I329-F341 WeakPolarHBondContact O-CD2 3.22Å; I329-F341 PolarHBondContact O-N 2.77Å; E331-F341 HydrophobicContact CB-CE2 3.65Å; E331-F341 HydrophobicContact CB-CZ 4.14Å; F341-E345 WeakPolarHBondContact CA-OE2 3.19Å; F341-E345 HydrophobicContact CB-CB 4.29Å; F341-E345 HydrophobicContact CD1-CB 4.14Å; F341-L346 HydrophobicContact CB-CD1 4.28Å; F341-L346 HydrophobicContact CB-CD2 3.57Å; F341-L346 HydrophobicContact CB-CG 3.64Å; F341-L346 HydrophobicContact CD2-CD2 4.22Å; F341-L346 HydrophobicContact CG-CD2 3.96Å; F341-L349 HydrophobicContact CD1-CD1 4.33Å; F341-L349 HydrophobicContact CE1-CD1 4.29Å; F341-L460 HydrophobicContact CE2-CB 3.98Å; F341-L460 HydrophobicContact CE2-CD1 4.13Å; F341-L460 HydrophobicContact CZ-CB 3.65Å; F341-L464 HydrophobicContact CD1-CD2 4.04Å; F341-L464 HydrophobicContact CE1-CD2 3.96Å
342S97.1Very high96.9Very high46 Ų4638.5 Ų38.532%0.32221%0.208SC..PPolyproline II helixtrans-66.5158.7168.364.20000110.7N344 E345 L346S342-N344 PolarHBondContact O-N 2.93Å; S342-E345 PolarHBondContact N-OE2 2.66Å; S342-E345 PolarHBondContact O-N 3.48Å; S342-E345 VanDerWaalsContact O-N 3.1Å; S342-E345 VanDerWaalsContact OG-CG 3.23Å; S342-E345 WeakPolarHBondContact OG-CG 3.3Å; S342-E345 PolarHBondContact OG-N 2.58Å; S342-E345 PolarHBondContact OG-OE2 3.39Å; S342-L346 PolarHBondContact O-N 3.32Å
343G97.2Very high97Very high5 Ų535.1 Ų35.15%0.05219%0.193CC..Hα-helixtrans-64-25.5178.800000113.6G347 E424 Y428G343-G347 PolarHBondContact O-N 3.18Å; G343-E424 VanDerWaalsContact CA-O 3.25Å; G343-E424 WeakPolarHBondContact CA-O 3.21Å; G343-Y428 VanDerWaalsContact CA-OH 3.23Å; G343-Y428 WeakPolarHBondContact CA-OH 3.22Å; G343-Y428 PolarHBondContact O-OH 2.91Å
344N98Very high97.1Very high10 Ų1033 Ų335%0.05318%0.183CC..Hα-helixtrans-66.8-45.5170.7-77.4-30.3000113S342 L346 G347 A348 S380 E424 S476S342-N344 PolarHBondContact O-N 2.93Å; N344-L346 VanDerWaalsContact C-N 3.32Å; N344-L346 PolarHBondContact O-N 3.19Å; N344-G347 PolarHBondContact O-N 3.09Å; N344-A348 PolarHBondContact O-N 3.34Å; N344-S380 VanDerWaalsContact CG-CB 3.47Å; N344-S380 WeakPolarHBondContact OD1-CB 3.39Å; N344-S380 PolarHBondContact OD1-N 3.39Å; N344-E424 VanDerWaalsContact OD1-CB 3.25Å; N344-E424 WeakPolarHBondContact OD1-CB 3.48Å; N344-S476 PolarHBondContact ND2-OG 3.02Å
345E98.2Very high97.4Very high38 Ų3825.2 Ų25.218%0.17814%0.142CC..Hα-helixtrans-65.6-37.7177.8-70167.513500111.5R339 F341 S342 A348 L349 L464R339-E345 IonicContact CZ-OE1 3.37Å; R339-E345 IonicContact NH2-OE1 2.67Å; R339-E345 PolarHBondContact NH2-OE1 3.19Å; F341-E345 WeakPolarHBondContact CA-OE2 3.19Å; F341-E345 HydrophobicContact CB-CB 4.29Å; F341-E345 HydrophobicContact CD1-CB 4.14Å; S342-E345 PolarHBondContact N-OE2 2.66Å; S342-E345 PolarHBondContact O-N 3.48Å; S342-E345 VanDerWaalsContact O-N 3.1Å; S342-E345 VanDerWaalsContact OG-CG 3.23Å; S342-E345 WeakPolarHBondContact OG-CG 3.3Å; S342-E345 PolarHBondContact OG-N 2.58Å; S342-E345 PolarHBondContact OG-OE2 3.39Å; E345-A348 WeakPolarHBondContact O-CB 3.48Å; E345-A348 PolarHBondContact O-N 3.27Å; E345-L349 PolarHBondContact O-N 2.9Å; E345-L464 HydrophobicContact CB-CD1 4.35Å; E345-L464 HydrophobicContact CB-CD2 3.8Å; E345-L464 HydrophobicContact CG-CD2 3.79Å
346L98.3Very high97.6Very high1 Ų122.6 Ų22.61%0.00512%0.12CC..Hα-helixtrans-69.4-36.7172.3-67.2-177000112.6I329 F341 S342 N344 A348 L349 L350 Y428I329-L346 HydrophobicContact CB-CD1 4.03Å; I329-L346 HydrophobicContact CB-CD2 3.84Å; I329-L346 HydrophobicContact CD1-CD2 3.98Å; I329-L346 HydrophobicContact CG1-CD1 3.92Å; I329-L346 HydrophobicContact CG1-CD2 4.03Å; F341-L346 HydrophobicContact CB-CD1 4.28Å; F341-L346 HydrophobicContact CB-CD2 3.57Å; F341-L346 HydrophobicContact CB-CG 3.64Å; F341-L346 HydrophobicContact CD2-CD2 4.22Å; F341-L346 HydrophobicContact CG-CD2 3.96Å; S342-L346 PolarHBondContact O-N 3.32Å; N344-L346 VanDerWaalsContact C-N 3.32Å; N344-L346 PolarHBondContact O-N 3.19Å; L346-A348 VanDerWaalsContact C-N 3.25Å; L346-A348 PolarHBondContact O-N 3.26Å; L346-L349 HydrophobicContact CD2-CD1 4.16Å; L346-L349 PolarHBondContact O-N 3.49Å; L346-L350 WeakPolarHBondContact O-CB 3.31Å; L346-L350 WeakPolarHBondContact O-CG 3.35Å; L346-L350 PolarHBondContact O-N 3.27Å; L346-Y428 HydrophobicContact CB-CE1 4.2Å; L346-Y428 WeakPolarHBondContact CB-OH 3.48Å
347G98.4Very high97.8Very high0 Ų021 Ų210%010%0.103CC..Hα-helixtrans-58-38.9170.300000112.2G343 N344 G351 F420G343-G347 PolarHBondContact O-N 3.18Å; N344-G347 PolarHBondContact O-N 3.09Å; G347-G351 WeakPolarHBondContact O-CA 3.38Å; G347-G351 PolarHBondContact O-N 3.47Å; G347-F420 WeakPolarHBondContact O-CE1 3.15Å
348A98.8Very high97.8Very high3 Ų317 Ų173%0.0258%0.083CC..Hα-helixtrans-65.4-49.6173.900000112.2N344 E345 L346 W352 I382 L464 I467N344-A348 PolarHBondContact O-N 3.34Å; E345-A348 WeakPolarHBondContact O-CB 3.48Å; E345-A348 PolarHBondContact O-N 3.27Å; L346-A348 VanDerWaalsContact C-N 3.25Å; L346-A348 PolarHBondContact O-N 3.26Å; A348-W352 VanDerWaalsContact O-CB 3.31Å; A348-W352 WeakPolarHBondContact O-CB 3.3Å; A348-W352 PolarHBondContact O-N 2.87Å; A348-I382 HydrophobicContact CB-CB 4.43Å; A348-I382 HydrophobicContact CB-CG1 3.81Å; A348-I382 HydrophobicContact CB-CG2 3.92Å; A348-L464 HydrophobicContact CB-CD1 3.98Å; A348-I467 HydrophobicContact CB-CG2 4.47Å
349L98.9Very high97.8Very high0 Ų018.1 Ų18.10%09%0.094CC..Hα-helixtrans-62.5-49.6-179.6-77.6163.7000112.1F341 E345 L346 W352 W353 M449 L460 Q463 L464 I467F341-L349 HydrophobicContact CD1-CD1 4.33Å; F341-L349 HydrophobicContact CE1-CD1 4.29Å; E345-L349 PolarHBondContact O-N 2.9Å; L346-L349 HydrophobicContact CD2-CD1 4.16Å; L346-L349 PolarHBondContact O-N 3.49Å; L349-W352 PolarHBondContact O-N 2.79Å; L349-W353 WeakPolarHBondContact O-CB 3.38Å; L349-W353 PolarHBondContact O-N 3.08Å; L349-M449 HydrophobicContact CB-CE 4.23Å; L349-M449 HydrophobicContact CB-SD 4.2Å; L349-L460 HydrophobicContact CD1-CB 4.35Å; L349-L460 HydrophobicContact CD1-CD2 4.4Å; L349-Q463 HydrophobicContact CD2-CB 4.16Å; L349-Q463 HydrophobicContact CD2-CG 4.1Å; L349-L464 HydrophobicContact CD1-CB 4.43Å; L349-L464 HydrophobicContact CD2-CB 4.11Å; L349-L464 HydrophobicContact CG-CB 4.3Å; L349-L464 HydrophobicContact CG-CD1 4.29Å; L349-I467 HydrophobicContact CD2-CD1 3.97Å
350L98.8Very high97.7Very high1 Ų119.9 Ų19.91%0.00511%0.105CC..Hα-helixtrans-67.3-42.8178.8-68.9172.9000111.1L346 W352 W353 M354 F420 Y428 I445 A446 M449L346-L350 WeakPolarHBondContact O-CB 3.31Å; L346-L350 WeakPolarHBondContact O-CG 3.35Å; L346-L350 PolarHBondContact O-N 3.27Å; L350-W352 PolarHBondContact O-N 2.88Å; L350-W353 PolarHBondContact O-N 2.92Å; L350-M354 WeakPolarHBondContact O-CB 3.36Å; L350-M354 WeakPolarHBondContact O-CG 3.29Å; L350-M354 PolarHBondContact O-N 2.7Å; L350-F420 HydrophobicContact CB-CE1 4.41Å; L350-F420 HydrophobicContact CB-CE2 3.78Å; L350-F420 HydrophobicContact CB-CZ 3.61Å; L350-F420 HydrophobicContact CD1-CE2 4.4Å; L350-F420 HydrophobicContact CD1-CZ 4.4Å; L350-Y428 HydrophobicContact CD1-CD1 3.7Å; L350-Y428 HydrophobicContact CD1-CD2 3.98Å; L350-Y428 HydrophobicContact CD1-CE1 4.09Å; L350-Y428 HydrophobicContact CD1-CE2 4.33Å; L350-Y428 HydrophobicContact CD1-CG 3.65Å; L350-I445 HydrophobicContact CD2-CG2 4.29Å; L350-A446 HydrophobicContact CD2-CB 4.45Å; L350-M449 HydrophobicContact CD2-CE 4.39Å
351G98.6Very high97.3Very high1 Ų123.8 Ų23.81%0.0112%0.121CC..Hα-helixtrans-59.6-45175.400000112.6G347 F355 M373G347-G351 WeakPolarHBondContact O-CA 3.38Å; G347-G351 PolarHBondContact O-N 3.47Å; G351-F355 WeakPolarHBondContact O-CB 3.14Å; G351-F355 PolarHBondContact O-N 2.99Å; G351-F355 VanDerWaalsContact O-N 3.07Å; G351-M373 WeakPolarHBondContact O-CE 3.43Å
352W98.7Very high97Very high27 Ų2726.5 Ų26.510%0.10214%0.135CC..Hα-helixtrans-58.9-48.1172.6166.678.8000111.6A348 L349 L350 M354 F355 H356 M449 L453 Q463 I467A348-W352 VanDerWaalsContact O-CB 3.31Å; A348-W352 WeakPolarHBondContact O-CB 3.3Å; A348-W352 PolarHBondContact O-N 2.87Å; L349-W352 PolarHBondContact O-N 2.79Å; L350-W352 PolarHBondContact O-N 2.88Å; W352-M354 PolarHBondContact O-N 2.85Å; W352-F355 PolarHBondContact O-N 3.09Å; W352-H356 HydrophobicContact CZ2-CB 4.32Å; W352-H356 VanDerWaalsContact O-CB 3.24Å; W352-H356 WeakPolarHBondContact O-CB 3.42Å; W352-H356 PolarHBondContact O-N 3.14Å; W352-M449 HydrophobicContact CE3-SD 4.36Å; W352-M449 HydrophobicContact CZ3-CG 4.19Å; W352-M449 HydrophobicContact CZ3-SD 4.26Å; W352-L453 HydrophobicContact CH2-CD2 3.98Å; W352-L453 HydrophobicContact CZ3-CD2 4.26Å; W352-Q463 HydrophobicContact CD2-CG 4.43Å; W352-Q463 HydrophobicContact CE3-CG 4Å; W352-Q463 HydrophobicContact CH2-CG 4.05Å; W352-Q463 HydrophobicContact CZ2-CG 4.45Å; W352-Q463 VanDerWaalsContact CZ2-NE2 3.3Å; W352-Q463 HydrophobicContact CZ3-CG 3.79Å; W352-I467 HydrophobicContact CB-CD1 3.48Å; W352-I467 VanDerWaalsContact CB-CD1 3.48Å; W352-I467 HydrophobicContact CB-CG1 3.98Å; W352-I467 HydrophobicContact CD2-CD1 4.11Å; W352-I467 HydrophobicContact CD2-CG1 4.42Å; W352-I467 HydrophobicContact CE3-CD1 4.41Å; W352-I467 HydrophobicContact CG-CD1 3.68Å; W352-I467 HydrophobicContact CG-CG1 3.85Å
353W98.7Very high96.3Very high1 Ų130.5 Ų30.50%0.00416%0.164CC..Hα-helixtrans-61-47.6-178.5178.9-109.8000112.3H238 L349 L350 F355 H356 C357 E448 M449 Y452H238-W353 AromaticContact CD2-CH2 3.34Å; H238-W353 WeakPolarHBondContact CD2-CH2 3.04Å; H238-W353 AromaticContact CD2-CZ2 3.58Å; H238-W353 AromaticContact NE2-CH2 3.58Å; L349-W353 WeakPolarHBondContact O-CB 3.38Å; L349-W353 PolarHBondContact O-N 3.08Å; L350-W353 PolarHBondContact O-N 2.92Å; W353-F355 VanDerWaalsContact C-N 3.32Å; W353-F355 PolarHBondContact O-N 3.16Å; W353-H356 AromaticContact CZ3-CD2 3.81Å; W353-H356 PolarHBondContact O-N 2.67Å; W353-C357 WeakPolarHBondContact CZ2-SG 3.49Å; W353-C357 PolarHBondContact O-N 2.88Å; W353-E448 HydrophobicContact CZ2-CG 3.77Å; W353-M449 HydrophobicContact CB-CB 4.46Å; W353-M449 HydrophobicContact CB-CG 4.14Å; W353-M449 HydrophobicContact CB-SD 3.75Å; W353-M449 HydrophobicContact CD2-CB 3.61Å; W353-M449 HydrophobicContact CD2-CG 3.77Å; W353-M449 HydrophobicContact CE3-CB 4.05Å; W353-M449 HydrophobicContact CE3-CG 3.82Å; W353-M449 HydrophobicContact CG-CB 3.79Å; W353-M449 HydrophobicContact CG-CG 3.92Å; W353-M449 HydrophobicContact CG-SD 4.13Å; W353-M449 HydrophobicContact CZ2-CB 4.45Å; W353-Y452 VanDerWaalsContact CH2-CB 3.46Å; W353-Y452 HydrophobicContact CH2-CD1 4.08Å; W353-Y452 AromaticContact CH2-CD2 3.8Å; W353-Y452 HydrophobicContact CH2-CD2 3.8Å; W353-Y452 AromaticContact CH2-CG 3.52Å; W353-Y452 HydrophobicContact CH2-CG 3.52Å; W353-Y452 AromaticContact CZ3-CD1 3.54Å; W353-Y452 HydrophobicContact CZ3-CD1 3.54Å; W353-Y452 HydrophobicContact CZ3-CD2 4.02Å; W353-Y452 HydrophobicContact CZ3-CE1 4.13Å; W353-Y452 AromaticContact CZ3-CG 3.5Å; W353-Y452 HydrophobicContact CZ3-CG 3.5Å; W353-Y452 VanDerWaalsContact CZ3-CG 3.5Å
354M98.3Very high95.9Very high4 Ų434.9 Ų34.92%0.0219%0.186CC..Hα-helixtrans-59.9-43.9178.3-66.4-58-64.600111.1L350 W352 W358 M373 L419 F420 C430 I445L350-M354 WeakPolarHBondContact O-CB 3.36Å; L350-M354 WeakPolarHBondContact O-CG 3.29Å; L350-M354 PolarHBondContact O-N 2.7Å; W352-M354 PolarHBondContact O-N 2.85Å; M354-W358 WeakPolarHBondContact O-CB 3.15Å; M354-W358 PolarHBondContact O-N 2.98Å; M354-W358 VanDerWaalsContact O-N 3.1Å; M354-M373 HydrophobicContact CB-CE 4.49Å; M354-L419 HydrophobicContact CB-CD1 4.42Å; M354-L419 HydrophobicContact CB-CD2 4.39Å; M354-L419 HydrophobicContact CB-CG 4.02Å; M354-L419 HydrophobicContact CE-CD1 4.04Å; M354-L419 WeakPolarHBondContact CE-O 3.43Å; M354-F420 HydrophobicContact CB-CB 4.41Å; M354-F420 HydrophobicContact CG-CB 4.32Å; M354-F420 HydrophobicContact CG-CD2 4.2Å; M354-F420 HydrophobicContact CG-CG 4.43Å; M354-C430 HydrophobicContact CE-CB 4.49Å; M354-C430 WeakPolarHBondContact CE-O 3.45Å; M354-C430 HydrophobicContact SD-CB 4.19Å; M354-I445 HydrophobicContact SD-CD1 4.37Å; M354-I445 HydrophobicContact SD-CG2 4.03Å
355F97.9Very high95Very high15 Ų1538.3 Ų38.37%0.06622%0.216CC..Hα-helixtrans-67-42.1175.9-176.7-106.8000112.4G351 W352 W353 W358 S359 V368 L371 M373 E390 F392G351-F355 WeakPolarHBondContact O-CB 3.14Å; G351-F355 PolarHBondContact O-N 2.99Å; G351-F355 VanDerWaalsContact O-N 3.07Å; W352-F355 PolarHBondContact O-N 3.09Å; W353-F355 VanDerWaalsContact C-N 3.32Å; W353-F355 PolarHBondContact O-N 3.16Å; F355-W358 HydrophobicContact CD2-CE3 4.27Å; F355-W358 AromaticContact CE2-CE3 3.95Å; F355-W358 HydrophobicContact CE2-CE3 3.95Å; F355-W358 HydrophobicContact CE2-CZ3 4.07Å; F355-W358 PolarHBondContact O-N 3.13Å; F355-S359 WeakPolarHBondContact O-CB 3.47Å; F355-S359 PolarHBondContact O-N 3.01Å; F355-S359 PolarHBondContact O-OG 3.21Å; F355-V368 HydrophobicContact CE2-CG2 3.98Å; F355-V368 HydrophobicContact CZ-CG2 4.42Å; F355-L371 HydrophobicContact CD2-CD1 4.46Å; F355-L371 HydrophobicContact CE2-CD1 4.36Å; F355-M373 HydrophobicContact CB-CE 3.84Å; F355-E390 HydrophobicContact CD1-CG 4.14Å; F355-E390 HydrophobicContact CE1-CB 3.73Å; F355-E390 HydrophobicContact CE1-CG 3.52Å; F355-E390 WeakPolarHBondContact CE1-OE2 3.31Å; F355-E390 HydrophobicContact CE2-CB 4.2Å; F355-E390 HydrophobicContact CZ-CB 3.54Å; F355-E390 HydrophobicContact CZ-CG 3.92Å; F355-F392 AromaticContact CD2-CD1 3.86Å; F355-F392 HydrophobicContact CD2-CD1 3.86Å; F355-F392 AromaticContact CD2-CE1 3.95Å; F355-F392 HydrophobicContact CD2-CE1 3.95Å; F355-F392 AromaticContact CE2-CD1 3.79Å; F355-F392 HydrophobicContact CE2-CD1 3.79Å; F355-F392 HydrophobicContact CE2-CE1 4.23Å; F355-F392 HydrophobicContact CG-CE1 4.27Å; F355-F392 HydrophobicContact CZ-CD1 4.49Å
356H97.3Very high94.6Very high34 Ų3439.1 Ų39.116%0.15723%0.229CC..Hα-helixtrans-57.7-55.3178.8178.260.7000110.8W352 W353 W358 S359 E360 Y452W352-H356 HydrophobicContact CZ2-CB 4.32Å; W352-H356 VanDerWaalsContact O-CB 3.24Å; W352-H356 WeakPolarHBondContact O-CB 3.42Å; W352-H356 PolarHBondContact O-N 3.14Å; W353-H356 AromaticContact CZ3-CD2 3.81Å; W353-H356 PolarHBondContact O-N 2.67Å; H356-W358 VanDerWaalsContact C-N 3.31Å; H356-W358 PolarHBondContact O-N 2.94Å; H356-S359 PolarHBondContact O-N 3.36Å; H356-S359 VanDerWaalsContact O-N 3.13Å; H356-S359 PolarHBondContact O-OG 3.47Å; H356-E360 IonicContact CE1-OE1 3.19Å; H356-E360 PolarHBondContact CE1-OE1 3.44Å; H356-E360 IonicContact NE2-OE1 2.93Å; H356-E360 PolarHBondContact NE2-OE1 2.82Å; H356-E360 PolarHBondContact O-N 2.75Å; H356-Y452 AromaticContact NE2-CE1 3.92Å; H356-Y452 AromaticContact NE2-CE2 3.98Å; H356-Y452 AromaticContact NE2-CZ 3.38Å; H356-Y452 PolarHBondContact NE2-OH 3.4Å
357C97.1Very high94.3Very high0 Ų040.2 Ų40.20%024%0.238CC..Hα-helixtrans-60.9-39.1178-68.30000112.8H237 W353 Q361H237-C357 HydrophobicContact CB-CB 4.03Å; H237-C357 VanDerWaalsContact CD2-CB 3.46Å; H237-C357 WeakPolarHBondContact CD2-CB 3.35Å; W353-C357 WeakPolarHBondContact CZ2-SG 3.49Å; W353-C357 PolarHBondContact O-N 2.88Å; C357-Q361 WeakPolarHBondContact O-CG 3.41Å; C357-Q361 PolarHBondContact O-N 3.37Å
358W96.1Very high94.2Very high37 Ų3741 Ų4114%0.1424%0.243CC..Hα-helixtrans-61.9-45.8174.7177.987.5000111.4M354 F355 H356 E360 Q361 N362 A367 V368 L371 L419M354-W358 WeakPolarHBondContact O-CB 3.15Å; M354-W358 PolarHBondContact O-N 2.98Å; M354-W358 VanDerWaalsContact O-N 3.1Å; F355-W358 HydrophobicContact CD2-CE3 4.27Å; F355-W358 AromaticContact CE2-CE3 3.95Å; F355-W358 HydrophobicContact CE2-CE3 3.95Å; F355-W358 HydrophobicContact CE2-CZ3 4.07Å; F355-W358 PolarHBondContact O-N 3.13Å; H356-W358 VanDerWaalsContact C-N 3.31Å; H356-W358 PolarHBondContact O-N 2.94Å; W358-E360 PolarHBondContact O-N 3.02Å; W358-Q361 PolarHBondContact O-N 3.06Å; W358-Q361 VanDerWaalsContact O-N 3.16Å; W358-N362 HydrophobicContact CD2-CB 4.21Å; W358-N362 HydrophobicContact CE3-CB 4.46Å; W358-N362 HydrophobicContact CH2-CB 3.98Å; W358-N362 HydrophobicContact CZ2-CB 3.7Å; W358-N362 HydrophobicContact CZ3-CB 4.35Å; W358-N362 PolarHBondContact NE1-ND2 2.87Å; W358-N362 WeakPolarHBondContact O-CB 3.3Å; W358-N362 PolarHBondContact O-N 3.43Å; W358-N362 PolarHBondContact O-ND2 2.76Å; W358-A367 HydrophobicContact CH2-CB 4.08Å; W358-A367 HydrophobicContact CZ2-CB 3.82Å; W358-V368 HydrophobicContact CH2-CB 4Å; W358-V368 HydrophobicContact CH2-CG2 4.32Å; W358-V368 HydrophobicContact CZ3-CB 4.25Å; W358-V368 HydrophobicContact CZ3-CG2 4.14Å; W358-L371 HydrophobicContact CD2-CD1 3.5Å; W358-L371 HydrophobicContact CD2-CD2 4.41Å; W358-L371 HydrophobicContact CD2-CG 4.45Å; W358-L371 HydrophobicContact CE3-CD1 3.54Å; W358-L371 HydrophobicContact CG-CD1 4.23Å; W358-L371 HydrophobicContact CH2-CD1 3.7Å; W358-L371 HydrophobicContact CH2-CG 4.3Å; W358-L371 HydrophobicContact CZ2-CD1 3.64Å; W358-L371 HydrophobicContact CZ2-CD2 4.09Å; W358-L371 HydrophobicContact CZ2-CG 3.94Å; W358-L371 HydrophobicContact CZ3-CD1 3.64Å; W358-L419 HydrophobicContact CB-CD1 4.29Å; W358-L419 HydrophobicContact CB-CD2 3.83Å; W358-L419 HydrophobicContact CG-CD2 4.15Å
359S95.2Very high94Very high46 Ų4647.4 Ų47.432%0.32227%0.27SS..Hα-helixtrans-66.4-35.4-178.270.80000112.9F355 H356 Q361 N362F355-S359 WeakPolarHBondContact O-CB 3.47Å; F355-S359 PolarHBondContact O-N 3.01Å; F355-S359 PolarHBondContact O-OG 3.21Å; H356-S359 PolarHBondContact O-N 3.36Å; H356-S359 VanDerWaalsContact O-N 3.13Å; H356-S359 PolarHBondContact O-OG 3.47Å; S359-Q361 PolarHBondContact O-N 3.07Å; S359-N362 PolarHBondContact O-N 2.86Å
360E94.6Very high93.8Very high105 Ų10550.8 Ų50.849%0.49129%0.288SS..Hα-helixtrans-63.2-28.3174.6-73.3-167.6148.900112.7H238 H356 W358H238-E360 IonicContact CE1-OE2 3.69Å; H238-E360 PolarHBondContact CE1-OE2 2.93Å; H238-E360 IonicContact NE2-OE2 3.63Å; H238-E360 PolarHBondContact NE2-OE2 2.92Å; H356-E360 IonicContact CE1-OE1 3.19Å; H356-E360 PolarHBondContact CE1-OE1 3.44Å; H356-E360 IonicContact NE2-OE1 2.93Å; H356-E360 PolarHBondContact NE2-OE1 2.82Å; H356-E360 PolarHBondContact O-N 2.75Å; W358-E360 PolarHBondContact O-N 3.02Å
361Q90.5Very high93.8Very high121 Ų12150.9 Ų50.957%0.56529%0.289SS*.Hα-helixtrans-96.3-10.6-178.8-63.7-174.6-10.600113.7H237 C357 W358 S359H237-Q361 VanDerWaalsContact ND1-CD 3.27Å; H237-Q361 PolarHBondContact ND1-NE2 2.99Å; H237-Q361 PolarHBondContact ND1-OE1 3.36Å; C357-Q361 WeakPolarHBondContact O-CG 3.41Å; C357-Q361 PolarHBondContact O-N 3.37Å; W358-Q361 PolarHBondContact O-N 3.06Å; W358-Q361 VanDerWaalsContact O-N 3.16Å; S359-Q361 PolarHBondContact O-N 3.07Å
362N90.1Very high93.8Very high61 Ų6152 Ų5233%0.32629%0.293SS..  trans-126.6103.2-174.8-69.5-90.7000110.3W358 S359W358-N362 HydrophobicContact CD2-CB 4.21Å; W358-N362 HydrophobicContact CE3-CB 4.46Å; W358-N362 HydrophobicContact CH2-CB 3.98Å; W358-N362 HydrophobicContact CZ2-CB 3.7Å; W358-N362 HydrophobicContact CZ3-CB 4.35Å; W358-N362 PolarHBondContact NE1-ND2 2.87Å; W358-N362 WeakPolarHBondContact O-CB 3.3Å; W358-N362 PolarHBondContact O-N 3.43Å; W358-N362 PolarHBondContact O-ND2 2.76Å; S359-N362 PolarHBondContact O-N 2.86Å
363S83.4Confident93.8Very high131 Ų13150.8 Ų50.892%0.91629%0.288SS*.  trans-83.7-11.6177.359.50000114A365S363-A365 PolarHBondContact O-N 3.37Å
364D87.3Confident93.8Very high96 Ų9650.8 Ų50.851%0.51329%0.288SS..  trans-82.9104.9178.9-179.213000111A366 A367D364-A366 PolarHBondContact O-N 3.33Å; D364-A366 VanDerWaalsContact O-N 3.13Å; D364-A366 VanDerWaalsContact OD1-CB 3.31Å; D364-A366 WeakPolarHBondContact OD1-CB 3.28Å; D364-A366 PolarHBondContact OD1-N 2.89Å; D364-A367 HydrophobicContact CB-CB 4.32Å; D364-A367 VanDerWaalsContact O-CB 3.28Å; D364-A367 WeakPolarHBondContact O-CB 3.5Å; D364-A367 PolarHBondContact O-N 2.94Å
365A81.1Confident93.8Very high83 Ų8350.6 Ų50.669%0.68629%0.287SS*.THydrogen-bonded Turntrans-59.8-21.8176.400000113.3S363 A367 V368S363-A365 PolarHBondContact O-N 3.37Å; A365-A367 VanDerWaalsContact C-N 3.32Å; A365-V368 WeakPolarHBondContact O-CG1 3.37Å
366A89Confident93.7Very high55 Ų5549.9 Ų49.946%0.45528%0.284SS..THydrogen-bonded Turntrans-73-26.2175.500000112.5D364 V368 K369D364-A366 PolarHBondContact O-N 3.33Å; D364-A366 VanDerWaalsContact O-N 3.13Å; D364-A366 VanDerWaalsContact OD1-CB 3.31Å; D364-A366 WeakPolarHBondContact OD1-CB 3.28Å; D364-A366 PolarHBondContact OD1-N 2.89Å; A366-V368 PolarHBondContact O-N 2.94Å; A366-K369 PolarHBondContact O-N 3.26Å
367A92.4Very high93.6Very high23 Ų2348.3 Ų48.319%0.1928%0.277CS..G310 helixtrans-64.3-27.2-178.700000112.6W358 D364 A365 K369 N370W358-A367 HydrophobicContact CH2-CB 4.08Å; W358-A367 HydrophobicContact CZ2-CB 3.82Å; D364-A367 HydrophobicContact CB-CB 4.32Å; D364-A367 VanDerWaalsContact O-CB 3.28Å; D364-A367 WeakPolarHBondContact O-CB 3.5Å; D364-A367 PolarHBondContact O-N 2.94Å; A365-A367 VanDerWaalsContact C-N 3.32Å; A367-K369 PolarHBondContact O-N 3.38Å; A367-N370 PolarHBondContact O-N 3.31Å
368V95.1Very high93.6Very high17 Ų1748.8 Ų48.810%0.10328%0.28CS..G310 helixtrans-59.4-30.3179.282.30000112.3F355 W358 A365 A366 N370 L371 E390 F392F355-V368 HydrophobicContact CE2-CG2 3.98Å; F355-V368 HydrophobicContact CZ-CG2 4.42Å; W358-V368 HydrophobicContact CH2-CB 4Å; W358-V368 HydrophobicContact CH2-CG2 4.32Å; W358-V368 HydrophobicContact CZ3-CB 4.25Å; W358-V368 HydrophobicContact CZ3-CG2 4.14Å; A365-V368 WeakPolarHBondContact O-CG1 3.37Å; A366-V368 PolarHBondContact O-N 2.94Å; V368-N370 PolarHBondContact O-N 3.46Å; V368-L371 HydrophobicContact CG2-CD1 4.21Å; V368-L371 WeakPolarHBondContact O-CB 3.5Å; V368-L371 PolarHBondContact O-N 3.29Å; V368-E390 WeakPolarHBondContact CG2-O 3.44Å; V368-F392 HydrophobicContact CG2-CB 3.97Å; V368-F392 WeakPolarHBondContact O-CA 3.37Å
369K94.8Very high93.6Very high138 Ų13847 Ų4760%0.627%0.273SS*.G310 helixtrans-70.8-10179.3-61.8-177.5178.7178.10113.6A366 A367 H393A366-K369 PolarHBondContact O-N 3.26Å; A367-K369 PolarHBondContact O-N 3.38Å; K369-H393 PolarHBondContact O-CD2 3.35Å; K369-H393 PolarHBondContact O-NE2 2.94Å; K369-H393 VanDerWaalsContact O-NE2 3.15Å
370N95.8Very high93.8Very high70 Ų7045 Ų4537%0.37426%0.259SS..G310 helixtrans-99.6-3173.3-71.1-45.4000112.8A367 V368 Y372 K416 S417A367-N370 PolarHBondContact O-N 3.31Å; V368-N370 PolarHBondContact O-N 3.46Å; N370-Y372 WeakPolarHBondContact O-CD2 3.34Å; N370-K416 PolarHBondContact OD1-NZ 2.94Å; N370-S417 PolarHBondContact O-N 2.96Å
371L97.3Very high93.9Very high4 Ų441 Ų412%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-86.5141.5179.3-63.6-175.5000112F355 W358 V368 F392 H393 S417 L419F355-L371 HydrophobicContact CD2-CD1 4.46Å; F355-L371 HydrophobicContact CE2-CD1 4.36Å; W358-L371 HydrophobicContact CD2-CD1 3.5Å; W358-L371 HydrophobicContact CD2-CD2 4.41Å; W358-L371 HydrophobicContact CD2-CG 4.45Å; W358-L371 HydrophobicContact CE3-CD1 3.54Å; W358-L371 HydrophobicContact CG-CD1 4.23Å; W358-L371 HydrophobicContact CH2-CD1 3.7Å; W358-L371 HydrophobicContact CH2-CG 4.3Å; W358-L371 HydrophobicContact CZ2-CD1 3.64Å; W358-L371 HydrophobicContact CZ2-CD2 4.09Å; W358-L371 HydrophobicContact CZ2-CG 3.94Å; W358-L371 HydrophobicContact CZ3-CD1 3.64Å; V368-L371 HydrophobicContact CG2-CD1 4.21Å; V368-L371 WeakPolarHBondContact O-CB 3.5Å; V368-L371 PolarHBondContact O-N 3.29Å; L371-F392 HydrophobicContact CB-CB 3.73Å; L371-F392 HydrophobicContact CD1-CB 4.49Å; L371-H393 WeakPolarHBondContact O-CB 3.29Å; L371-H393 PolarHBondContact O-N 2.88Å; L371-S417 CarbonylContact C-O 3.48Å; L371-S417 WeakPolarHBondContact CA-O 3.43Å; L371-L419 HydrophobicContact CD1-CD2 4.33Å
372Y98.5Very high94.3Very high24 Ų2435.3 Ų35.39%0.09421%0.214CC..EExtended strand (participates in β ladder)trans-128.5138.6175.2-72.2-104.4000110N370 H393 E395 L411 K416 S417 V418 L419N370-Y372 WeakPolarHBondContact O-CD2 3.34Å; Y372-H393 CarbonylContact C-O 3.58Å; Y372-H393 VanDerWaalsContact CA-O 3.25Å; Y372-H393 WeakPolarHBondContact CA-O 3.41Å; Y372-H393 HydrophobicContact CD1-CB 3.47Å; Y372-H393 VanDerWaalsContact CD1-CB 3.47Å; Y372-H393 HydrophobicContact CD2-CB 4.27Å; Y372-H393 HydrophobicContact CE1-CB 3.37Å; Y372-H393 AromaticContact CE1-CG 3.83Å; Y372-H393 HydrophobicContact CE2-CB 4.16Å; Y372-H393 AromaticContact CE2-CD2 3.86Å; Y372-H393 HydrophobicContact CG-CB 3.93Å; Y372-H393 AromaticContact CZ-CD2 3.7Å; Y372-H393 AromaticContact CZ-CG 3.74Å; Y372-E395 HydrophobicContact CD1-CG 4.2Å; Y372-E395 HydrophobicContact CE1-CG 4.36Å; Y372-E395 WeakPolarHBondContact CE1-OE1 3.38Å; Y372-L411 HydrophobicContact CD1-CD1 3.74Å; Y372-L411 HydrophobicContact CD1-CD2 3.75Å; Y372-L411 HydrophobicContact CD1-CG 4.42Å; Y372-L411 HydrophobicContact CD2-CD2 4.22Å; Y372-L411 HydrophobicContact CE1-CD1 4.45Å; Y372-L411 HydrophobicContact CE1-CD2 3.64Å; Y372-L411 HydrophobicContact CE2-CD2 4.15Å; Y372-L411 HydrophobicContact CG-CD1 3.85Å; Y372-L411 HydrophobicContact CG-CD2 4.05Å; Y372-K416 HydrophobicContact CD2-CB 3.82Å; Y372-K416 HydrophobicContact CD2-CG 4.28Å; Y372-K416 HydrophobicContact CE2-CB 3.75Å; Y372-K416 HydrophobicContact CE2-CD 3.93Å; Y372-K416 HydrophobicContact CE2-CG 3.69Å; Y372-S417 PolarHBondContact N-O 3Å; Y372-V418 WeakPolarHBondContact O-CA 3.46Å; Y372-L419 PolarHBondContact O-N 3.46Å
373M98.7Very high94.7Very high2 Ų232.5 Ų32.51%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-121.7144.5160-63.8-169.7177.200110.1G351 M354 F355 L383 F392 H393 F394 E395 L419 F420G351-M373 WeakPolarHBondContact O-CE 3.43Å; M354-M373 HydrophobicContact CB-CE 4.49Å; F355-M373 HydrophobicContact CB-CE 3.84Å; M373-L383 HydrophobicContact CB-CD1 4.06Å; M373-L383 HydrophobicContact SD-CD1 4.21Å; M373-L383 HydrophobicContact SD-CD2 4.09Å; M373-F392 HydrophobicContact CB-CD2 4.45Å; M373-F392 HydrophobicContact CB-CE2 3.93Å; M373-F392 HydrophobicContact CE-CZ 4.34Å; M373-F392 HydrophobicContact CG-CD2 4.21Å; M373-F392 HydrophobicContact CG-CE2 3.77Å; M373-F392 HydrophobicContact CG-CZ 4.33Å; M373-F392 HydrophobicContact SD-CE2 3.81Å; M373-F392 HydrophobicContact SD-CZ 3.78Å; M373-H393 PolarHBondContact N-O 3.47Å; M373-F394 WeakPolarHBondContact O-CA 3.44Å; M373-E395 PolarHBondContact O-N 3.49Å; M373-E395 VanDerWaalsContact O-N 3.1Å; M373-L419 HydrophobicContact CE-CB 4.26Å; M373-L419 HydrophobicContact CE-CD2 3.66Å; M373-L419 HydrophobicContact CE-CG 4.05Å; M373-F420 CarbonylContact C-O 3.45Å; M373-F420 WeakPolarHBondContact CA-O 3.36Å; M373-F420 HydrophobicContact CE-CB 4.23Å; M373-F420 HydrophobicContact CG-CB 4.13Å; M373-F420 HydrophobicContact SD-CB 4.12Å; M373-F420 HydrophobicContact SD-CD1 4.41Å
374L98.6Very high95.3Very high0 Ų032.6 Ų32.60%018%0.179CC..EExtended strand (participates in β ladder)trans-119.5149.5-174.7-48.3176.4000110.8E395 M404 R407 A408 L411 V418 F420 A421 F422L374-E395 WeakPolarHBondContact CA-O 3.47Å; L374-E395 HydrophobicContact CD2-CB 3.74Å; L374-M404 HydrophobicContact CB-CG 4.49Å; L374-R407 HydrophobicContact CD1-CB 4.48Å; L374-R407 HydrophobicContact CD1-CG 4.45Å; L374-A408 HydrophobicContact CD1-CB 3.93Å; L374-L411 HydrophobicContact CD1-CD1 4.49Å; L374-L411 HydrophobicContact CD2-CD1 3.94Å; L374-V418 HydrophobicContact CD1-CG1 4.17Å; L374-V418 HydrophobicContact CG-CG1 4.35Å; L374-F420 PolarHBondContact N-O 3.48Å; L374-A421 HydrophobicContact CB-CB 3.77Å; L374-A421 HydrophobicContact CD1-CB 4.44Å; L374-A421 HydrophobicContact CG-CB 4.44Å; L374-A421 VanDerWaalsContact O-CA 3.24Å; L374-A421 WeakPolarHBondContact O-CA 3.4Å; L374-F422 PolarHBondContact O-N 3.15Å; L374-F422 VanDerWaalsContact O-N 3.13Å
375A98.3Very high95.8Very high0 Ų028.9 Ų28.90%016%0.162CC..EExtended strand (participates in β ladder)trans-147.2159.7166.300000111.2F394 E395 E396 T397 F422A375-F394 HydrophobicContact CB-CE2 3.72Å; A375-F394 HydrophobicContact CB-CZ 3.97Å; A375-E395 PolarHBondContact N-O 3.15Å; A375-E396 CarbonylContact O-C 3.5Å; A375-E396 VanDerWaalsContact O-CA 3.27Å; A375-E396 WeakPolarHBondContact O-CA 3.38Å; A375-T397 PolarHBondContact O-N 2.66Å; A375-F422 WeakPolarHBondContact CA-O 3.44Å; A375-F422 HydrophobicContact CB-CD1 3.83Å; A375-F422 HydrophobicContact CB-CE1 3.49Å; A375-F422 VanDerWaalsContact CB-CE1 3.49Å; A375-F422 HydrophobicContact CB-CZ 4.15Å
376S97.1Very high96.6Very high1 Ų125.1 Ų25.11%0.00713%0.13CC..EExtended strand (participates in β ladder)trans-68.7153.5171.584.50000111.3V378 S379 T397 F422S376-V378 PolarHBondContact O-N 2.8Å; S376-V378 VanDerWaalsContact OG-CG2 3.32Å; S376-V378 WeakPolarHBondContact OG-CG2 3.28Å; S376-V378 PolarHBondContact OG-N 2.86Å; S376-S379 WeakPolarHBondContact O-CB 3.46Å; S376-S379 PolarHBondContact O-N 2.75Å; S376-S379 PolarHBondContact OG-N 3.33Å; S376-S379 PolarHBondContact OG-OG 3.12Å; S376-T397 CarbonylContact C-O 3.54Å; S376-T397 VanDerWaalsContact CA-O 3.28Å; S376-T397 WeakPolarHBondContact CA-O 3.34Å; S376-F422 PolarHBondContact N-O 2.84Å
377T95.6Very high97.1Very high1 Ų122.9 Ų22.91%0.00611%0.112CC..THydrogen-bonded Turntrans-55.5-23.1176.545.30000114.4K381 E396 T397 L536 M544T377-K381 PolarHBondContact O-NZ 3.2Å; T377-E396 HydrophobicContact CG2-CB 4.12Å; T377-T397 WeakPolarHBondContact CG2-O 3.2Å; T377-T397 PolarHBondContact N-O 2.77Å; T377-L536 HydrophobicContact CG2-CD1 3.35Å; T377-M544 HydrophobicContact CG2-CE 4.21Å; T377-M544 WeakPolarHBondContact OG1-CE 3.46Å
378V95.6Very high97.3Very high9 Ų927.6 Ų27.66%0.05513%0.133CC..THydrogen-bonded Turntrans-98.5-3.4179.6-60.40000113.1S376 T399 E424 T556 Y569S376-V378 PolarHBondContact O-N 2.8Å; S376-V378 VanDerWaalsContact OG-CG2 3.32Å; S376-V378 WeakPolarHBondContact OG-CG2 3.28Å; S376-V378 PolarHBondContact OG-N 2.86Å; V378-T399 HydrophobicContact CG2-CG2 4.17Å; V378-T399 WeakPolarHBondContact CG2-OG1 3.36Å; V378-E424 HydrophobicContact CG2-CG 4.25Å; V378-T556 HydrophobicContact CG1-CG2 3.99Å; V378-Y569 HydrophobicContact CB-CD1 3.75Å; V378-Y569 HydrophobicContact CB-CD2 3.85Å; V378-Y569 HydrophobicContact CB-CE1 4.09Å; V378-Y569 HydrophobicContact CB-CE2 4.18Å; V378-Y569 HydrophobicContact CB-CG 3.63Å; V378-Y569 HydrophobicContact CG1-CD1 4.42Å; V378-Y569 HydrophobicContact CG1-CD2 3.58Å; V378-Y569 HydrophobicContact CG1-CE2 3.89Å; V378-Y569 HydrophobicContact CG1-CG 3.88Å; V378-Y569 HydrophobicContact CG2-CD1 4.24Å; V378-Y569 HydrophobicContact CG2-CE1 4.11Å
379S97.7Very high97.3Very high1 Ų132.1 Ų32.11%0.00715%0.151CC..SBendtrans-86159.3174.1-55.70000111.5S376 K381 E424S376-S379 WeakPolarHBondContact O-CB 3.46Å; S376-S379 PolarHBondContact O-N 2.75Å; S376-S379 PolarHBondContact OG-N 3.33Å; S376-S379 PolarHBondContact OG-OG 3.12Å; S379-K381 PolarHBondContact O-NZ 2.97Å; S379-E424 PolarHBondContact OG-N 2.92Å
380S97.7Very high97.4Very high4 Ų428.2 Ų28.23%0.02814%0.135CC..  trans-54.2140.1-176.8170.80000112N344 I382 E571N344-S380 VanDerWaalsContact CG-CB 3.47Å; N344-S380 WeakPolarHBondContact OD1-CB 3.39Å; N344-S380 PolarHBondContact OD1-N 3.39Å; S380-I382 PolarHBondContact O-N 3.26Å; S380-I382 WeakPolarHBondContact OG-CB 3.47Å; S380-I382 WeakPolarHBondContact OG-CG2 3.47Å; S380-I382 PolarHBondContact OG-N 3.41Å; S380-I382 VanDerWaalsContact OG-N 3.13Å; S380-E571 VanDerWaalsContact CA-OE1 3.26Å; S380-E571 WeakPolarHBondContact CA-OE1 3.29Å; S380-E571 VanDerWaalsContact CA-OE2 3.3Å; S380-E571 WeakPolarHBondContact CA-OE2 2.99Å; S380-E571 WeakPolarHBondContact CB-OE1 3.35Å; S380-E571 PolarHBondContact OG-OE1 2.85Å
381K97.7Very high97.4Very high21 Ų2126.7 Ų26.79%0.09114%0.136CC..THydrogen-bonded Turntrans-77.29.6173.8-50.4-48.5165.5-146.30113.4T377 S379 L383 R384 A385 E396 E571T377-K381 PolarHBondContact O-NZ 3.2Å; S379-K381 PolarHBondContact O-NZ 2.97Å; K381-L383 VanDerWaalsContact C-N 3.31Å; K381-L383 PolarHBondContact O-N 3.04Å; K381-R384 HydrophobicContact CB-CB 4.41Å; K381-R384 WeakPolarHBondContact O-CA 3.46Å; K381-R384 WeakPolarHBondContact O-CB 3.47Å; K381-R384 PolarHBondContact O-N 3.31Å; K381-A385 PolarHBondContact O-N 2.95Å; K381-A385 VanDerWaalsContact O-N 3.15Å; K381-E396 VanDerWaalsContact CE-OE1 3.24Å; K381-E396 WeakPolarHBondContact CE-OE1 3.35Å; K381-E396 IonicContact NZ-OE1 3.93Å; K381-E396 PolarHBondContact NZ-OE1 3.28Å; K381-E571 WeakPolarHBondContact CG-OE2 3.42Å; K381-E571 PolarHBondContact N-OE1 2.86Å; K381-E571 PolarHBondContact N-OE2 2.95Å
382I98Very high97.4Very high1 Ų127 Ų271%0.00514%0.137CC..Hα-helixtrans-54.7-43.9179.9-175.661.1000112.5A348 S380 R384 A385 V386 I467 F468 H474A348-I382 HydrophobicContact CB-CB 4.43Å; A348-I382 HydrophobicContact CB-CG1 3.81Å; A348-I382 HydrophobicContact CB-CG2 3.92Å; S380-I382 PolarHBondContact O-N 3.26Å; S380-I382 WeakPolarHBondContact OG-CB 3.47Å; S380-I382 WeakPolarHBondContact OG-CG2 3.47Å; S380-I382 PolarHBondContact OG-N 3.41Å; S380-I382 VanDerWaalsContact OG-N 3.13Å; I382-R384 PolarHBondContact O-N 3.34Å; I382-A385 WeakPolarHBondContact O-CA 3.47Å; I382-A385 WeakPolarHBondContact O-CB 3.19Å; I382-A385 PolarHBondContact O-N 3.4Å; I382-V386 HydrophobicContact CG1-CG2 4.46Å; I382-V386 WeakPolarHBondContact O-CG2 3.37Å; I382-V386 PolarHBondContact O-N 2.88Å; I382-I467 HydrophobicContact CD1-CG2 4.2Å; I382-I467 HydrophobicContact CG1-CG2 4.45Å; I382-F468 HydrophobicContact CD1-CD1 4.14Å; I382-F468 HydrophobicContact CD1-CE1 4.18Å; I382-F468 HydrophobicContact CG1-CE1 4.5Å; I382-H474 HydrophobicContact CB-CB 4.3Å; I382-H474 WeakPolarHBondContact CD1-CD2 3.49Å; I382-H474 PolarHBondContact N-CE1 2.94Å; I382-H474 PolarHBondContact N-ND1 3.47Å
383L98.1Very high97.4Very high1 Ų129.7 Ų29.71%0.00515%0.151CC..Hα-helixtrans-65.1-27.2178.5-61.5-171.3000112.8M373 K381 A387 F394 F420 F422M373-L383 HydrophobicContact CB-CD1 4.06Å; M373-L383 HydrophobicContact SD-CD1 4.21Å; M373-L383 HydrophobicContact SD-CD2 4.09Å; K381-L383 VanDerWaalsContact C-N 3.31Å; K381-L383 PolarHBondContact O-N 3.04Å; L383-A387 WeakPolarHBondContact O-CB 3.47Å; L383-A387 PolarHBondContact O-N 2.85Å; L383-F394 HydrophobicContact CB-CD2 3.64Å; L383-F394 HydrophobicContact CB-CE2 3.76Å; L383-F420 HydrophobicContact CD1-CD1 3.74Å; L383-F420 HydrophobicContact CD1-CE1 4.01Å; L383-F422 HydrophobicContact CD1-CD1 3.5Å; L383-F422 HydrophobicContact CD1-CE1 3.41Å; L383-F422 VanDerWaalsContact CD1-CE1 3.41Å; L383-F422 HydrophobicContact CG-CD1 4.26Å; L383-F422 HydrophobicContact CG-CE1 3.7Å
384R97.8Very high97.4Very high133 Ų13331.3 Ų31.350%0.50216%0.157SC..Hα-helixtrans-66.9-42.1170.8-171.8-179.3171.2-88-1.2111.1K381 I382 A387 L388 F394K381-R384 HydrophobicContact CB-CB 4.41Å; K381-R384 WeakPolarHBondContact O-CA 3.46Å; K381-R384 WeakPolarHBondContact O-CB 3.47Å; K381-R384 PolarHBondContact O-N 3.31Å; I382-R384 PolarHBondContact O-N 3.34Å; R384-A387 PolarHBondContact O-N 3.44Å; R384-L388 HydrophobicContact CG-CD1 4.34Å; R384-L388 WeakPolarHBondContact O-CB 3.39Å; R384-L388 VanDerWaalsContact O-CG 3.26Å; R384-L388 WeakPolarHBondContact O-CG 3.28Å; R384-L388 PolarHBondContact O-N 2.82Å; R384-F394 HydrophobicContact CB-CD1 3.49Å; R384-F394 VanDerWaalsContact CB-CD1 3.49Å; R384-F394 HydrophobicContact CB-CE1 3.76Å; R384-F394 HydrophobicContact CB-CG 3.97Å; R384-F394 HydrophobicContact CB-CZ 4.46Å; R384-F394 HydrophobicContact CG-CD1 3.82Å; R384-F394 HydrophobicContact CG-CE1 4.33Å
385A97.9Very high97.4Very high19 Ų1933.7 Ų33.716%0.15717%0.168CC..Hα-helixtrans-64.9-42.3177.700000111.5K381 I382 L388 K389K381-A385 PolarHBondContact O-N 2.95Å; K381-A385 VanDerWaalsContact O-N 3.15Å; I382-A385 WeakPolarHBondContact O-CA 3.47Å; I382-A385 WeakPolarHBondContact O-CB 3.19Å; I382-A385 PolarHBondContact O-N 3.4Å; A385-L388 PolarHBondContact O-N 2.9Å; A385-K389 PolarHBondContact O-N 2.85Å
386V97.9Very high97.3Very high4 Ų435.6 Ų35.62%0.02418%0.178CC..Hα-helixtrans-61-50.1172.5-174.30000110.4I382 L388 K389 E390 F392 Y471I382-V386 HydrophobicContact CG1-CG2 4.46Å; I382-V386 WeakPolarHBondContact O-CG2 3.37Å; I382-V386 PolarHBondContact O-N 2.88Å; V386-L388 VanDerWaalsContact C-N 3.31Å; V386-L388 PolarHBondContact O-N 2.82Å; V386-K389 PolarHBondContact O-N 3.02Å; V386-E390 HydrophobicContact CG1-CG 3.78Å; V386-E390 WeakPolarHBondContact O-CB 3.39Å; V386-E390 WeakPolarHBondContact O-CG 3.35Å; V386-E390 PolarHBondContact O-N 3.3Å; V386-F392 HydrophobicContact CB-CE1 4.3Å; V386-F392 HydrophobicContact CB-CZ 3.97Å; V386-F392 HydrophobicContact CG1-CE1 3.62Å; V386-F392 HydrophobicContact CG1-CZ 3.74Å; V386-Y471 HydrophobicContact CB-CD1 4.13Å; V386-Y471 HydrophobicContact CB-CE1 4.14Å; V386-Y471 HydrophobicContact CB-CG 4.47Å; V386-Y471 HydrophobicContact CG1-CD1 4.33Å; V386-Y471 HydrophobicContact CG1-CE1 3.83Å; V386-Y471 HydrophobicContact CG2-CD1 3.91Å; V386-Y471 HydrophobicContact CG2-CD2 3.86Å; V386-Y471 HydrophobicContact CG2-CE1 4.15Å; V386-Y471 HydrophobicContact CG2-CE2 4.16Å; V386-Y471 HydrophobicContact CG2-CG 3.75Å
387A97.9Very high97.3Very high8 Ų836 Ų367%0.06618%0.18CC..Hα-helixtrans-55.3-43.2178.600000113.2L383 R384 K389 G391 F392 F394L383-A387 WeakPolarHBondContact O-CB 3.47Å; L383-A387 PolarHBondContact O-N 2.85Å; R384-A387 PolarHBondContact O-N 3.44Å; A387-K389 PolarHBondContact O-N 3.1Å; A387-G391 WeakPolarHBondContact O-CA 3.06Å; A387-G391 PolarHBondContact O-N 3.38Å; A387-F392 HydrophobicContact CB-CD2 3.65Å; A387-F392 HydrophobicContact CB-CE1 4.47Å; A387-F392 HydrophobicContact CB-CE2 3.41Å; A387-F392 VanDerWaalsContact CB-CE2 3.41Å; A387-F392 HydrophobicContact CB-CG 4.27Å; A387-F392 HydrophobicContact CB-CZ 3.87Å; A387-F392 WeakPolarHBondContact CB-O 3.4Å; A387-F394 HydrophobicContact CB-CB 3.7Å
388L96.9Very high97.2Very high121 Ų12137.2 Ų37.263%0.63419%0.186SC*.Hα-helixtrans-61.3-33.7179.1-77.9167.2000112.8R384 A385 V386R384-L388 HydrophobicContact CG-CD1 4.34Å; R384-L388 WeakPolarHBondContact O-CB 3.39Å; R384-L388 VanDerWaalsContact O-CG 3.26Å; R384-L388 WeakPolarHBondContact O-CG 3.28Å; R384-L388 PolarHBondContact O-N 2.82Å; A385-L388 PolarHBondContact O-N 2.9Å; V386-L388 VanDerWaalsContact C-N 3.31Å; V386-L388 PolarHBondContact O-N 2.82Å
389K96.2Very high96.9Very high113 Ų11338.5 Ų38.549%0.49119%0.194SC..Hα-helixtrans-87.1-44.3180-176.2173.1162.6-171.80112.3A385 V386 A387 E470 Y471A385-K389 PolarHBondContact O-N 2.85Å; V386-K389 PolarHBondContact O-N 3.02Å; A387-K389 PolarHBondContact O-N 3.1Å; K389-E470 VanDerWaalsContact NZ-CD 3.32Å; K389-E470 IonicContact NZ-OE1 2.79Å; K389-E470 PolarHBondContact NZ-OE1 2.81Å; K389-Y471 HydrophobicContact CB-CD1 4.13Å; K389-Y471 HydrophobicContact CB-CE1 4.08Å; K389-Y471 HydrophobicContact CD-CD1 3.91Å; K389-Y471 HydrophobicContact CD-CE1 3.76Å; K389-Y471 HydrophobicContact CG-CE1 4.29Å
390E96Very high96.5Very high56 Ų5639.6 Ų39.626%0.26221%0.205SC..Hα-helixtrans-87.2-17.7-172.4-59.7-50.5132.800113.6F355 V368 V386 F392 Y471F355-E390 HydrophobicContact CD1-CG 4.14Å; F355-E390 HydrophobicContact CE1-CB 3.73Å; F355-E390 HydrophobicContact CE1-CG 3.52Å; F355-E390 WeakPolarHBondContact CE1-OE2 3.31Å; F355-E390 HydrophobicContact CE2-CB 4.2Å; F355-E390 HydrophobicContact CZ-CB 3.54Å; F355-E390 HydrophobicContact CZ-CG 3.92Å; V368-E390 WeakPolarHBondContact CG2-O 3.44Å; V386-E390 HydrophobicContact CG1-CG 3.78Å; V386-E390 WeakPolarHBondContact O-CB 3.39Å; V386-E390 WeakPolarHBondContact O-CG 3.35Å; V386-E390 PolarHBondContact O-N 3.3Å; E390-F392 HydrophobicContact CB-CD1 3.89Å; E390-F392 HydrophobicContact CB-CE1 3.93Å; E390-F392 HydrophobicContact CG-CE1 4.46Å; E390-Y471 HydrophobicContact CG-CE1 3.98Å; E390-Y471 WeakPolarHBondContact OE1-CE1 3.42Å; E390-Y471 PolarHBondContact OE1-OH 3.06Å
391G96.4Very high96.3Very high38 Ų3839.6 Ų39.639%0.39221%0.205SC..  trans91.16.2170.800000116.3A387A387-G391 WeakPolarHBondContact O-CA 3.06Å; A387-G391 PolarHBondContact O-N 3.38Å
392F97.5Very high96.1Very high10 Ų1040 Ų404%0.04421%0.207CC..  trans-80.7171.9169.464-98.3000112.1F355 V368 L371 M373 V386 A387 E390F355-F392 AromaticContact CD2-CD1 3.86Å; F355-F392 HydrophobicContact CD2-CD1 3.86Å; F355-F392 AromaticContact CD2-CE1 3.95Å; F355-F392 HydrophobicContact CD2-CE1 3.95Å; F355-F392 AromaticContact CE2-CD1 3.79Å; F355-F392 HydrophobicContact CE2-CD1 3.79Å; F355-F392 HydrophobicContact CE2-CE1 4.23Å; F355-F392 HydrophobicContact CG-CE1 4.27Å; F355-F392 HydrophobicContact CZ-CD1 4.49Å; V368-F392 HydrophobicContact CG2-CB 3.97Å; V368-F392 WeakPolarHBondContact O-CA 3.37Å; L371-F392 HydrophobicContact CB-CB 3.73Å; L371-F392 HydrophobicContact CD1-CB 4.49Å; M373-F392 HydrophobicContact CB-CD2 4.45Å; M373-F392 HydrophobicContact CB-CE2 3.93Å; M373-F392 HydrophobicContact CE-CZ 4.34Å; M373-F392 HydrophobicContact CG-CD2 4.21Å; M373-F392 HydrophobicContact CG-CE2 3.77Å; M373-F392 HydrophobicContact CG-CZ 4.33Å; M373-F392 HydrophobicContact SD-CE2 3.81Å; M373-F392 HydrophobicContact SD-CZ 3.78Å; V386-F392 HydrophobicContact CB-CE1 4.3Å; V386-F392 HydrophobicContact CB-CZ 3.97Å; V386-F392 HydrophobicContact CG1-CE1 3.62Å; V386-F392 HydrophobicContact CG1-CZ 3.74Å; A387-F392 HydrophobicContact CB-CD2 3.65Å; A387-F392 HydrophobicContact CB-CE1 4.47Å; A387-F392 HydrophobicContact CB-CE2 3.41Å; A387-F392 VanDerWaalsContact CB-CE2 3.41Å; A387-F392 HydrophobicContact CB-CG 4.27Å; A387-F392 HydrophobicContact CB-CZ 3.87Å; A387-F392 WeakPolarHBondContact CB-O 3.4Å; E390-F392 HydrophobicContact CB-CD1 3.89Å; E390-F392 HydrophobicContact CB-CE1 3.93Å; E390-F392 HydrophobicContact CG-CE1 4.46Å
393H98.4Very high96Very high81 Ų8143.2 Ų43.238%0.37522%0.219SC..EExtended strand (participates in β ladder)trans-91.6134.8177.6-66.6-76.4000112.2K369 L371 Y372 M373K369-H393 PolarHBondContact O-CD2 3.35Å; K369-H393 PolarHBondContact O-NE2 2.94Å; K369-H393 VanDerWaalsContact O-NE2 3.15Å; L371-H393 WeakPolarHBondContact O-CB 3.29Å; L371-H393 PolarHBondContact O-N 2.88Å; Y372-H393 CarbonylContact C-O 3.58Å; Y372-H393 VanDerWaalsContact CA-O 3.25Å; Y372-H393 WeakPolarHBondContact CA-O 3.41Å; Y372-H393 HydrophobicContact CD1-CB 3.47Å; Y372-H393 VanDerWaalsContact CD1-CB 3.47Å; Y372-H393 HydrophobicContact CD2-CB 4.27Å; Y372-H393 HydrophobicContact CE1-CB 3.37Å; Y372-H393 AromaticContact CE1-CG 3.83Å; Y372-H393 HydrophobicContact CE2-CB 4.16Å; Y372-H393 AromaticContact CE2-CD2 3.86Å; Y372-H393 HydrophobicContact CG-CB 3.93Å; Y372-H393 AromaticContact CZ-CD2 3.7Å; Y372-H393 AromaticContact CZ-CG 3.74Å; M373-H393 PolarHBondContact N-O 3.47Å
394F98.4Very high95.9Very high35 Ų3543.2 Ų43.215%0.15422%0.219CC..EExtended strand (participates in β ladder)trans-113.2132.4169.6170.9-99000109.8M373 A375 L383 R384 A387 E396M373-F394 WeakPolarHBondContact O-CA 3.44Å; A375-F394 HydrophobicContact CB-CE2 3.72Å; A375-F394 HydrophobicContact CB-CZ 3.97Å; L383-F394 HydrophobicContact CB-CD2 3.64Å; L383-F394 HydrophobicContact CB-CE2 3.76Å; R384-F394 HydrophobicContact CB-CD1 3.49Å; R384-F394 VanDerWaalsContact CB-CD1 3.49Å; R384-F394 HydrophobicContact CB-CE1 3.76Å; R384-F394 HydrophobicContact CB-CG 3.97Å; R384-F394 HydrophobicContact CB-CZ 4.46Å; R384-F394 HydrophobicContact CG-CD1 3.82Å; R384-F394 HydrophobicContact CG-CE1 4.33Å; A387-F394 HydrophobicContact CB-CB 3.7Å; F394-E396 HydrophobicContact CE1-CG 3.58Å; F394-E396 HydrophobicContact CZ-CG 3.87Å
395E97.8Very high95.9Very high50 Ų5036.9 Ų36.923%0.23420%0.195CC..EExtended strand (participates in β ladder)trans-128.3141.4173.1-63.1-173.7177.800111.8Y372 M373 L374 A375 R407Y372-E395 HydrophobicContact CD1-CG 4.2Å; Y372-E395 HydrophobicContact CE1-CG 4.36Å; Y372-E395 WeakPolarHBondContact CE1-OE1 3.38Å; M373-E395 PolarHBondContact O-N 3.49Å; M373-E395 VanDerWaalsContact O-N 3.1Å; L374-E395 WeakPolarHBondContact CA-O 3.47Å; L374-E395 HydrophobicContact CD2-CB 3.74Å; A375-E395 PolarHBondContact N-O 3.15Å; E395-R407 VanDerWaalsContact CD-NH2 3.29Å; E395-R407 IonicContact OE1-CZ 2.67Å; E395-R407 IonicContact OE1-NH2 2.7Å; E395-R407 PolarHBondContact OE1-NH2 3.31Å; E395-R407 IonicContact OE2-CZ 2.81Å; E395-R407 IonicContact OE2-NE 3.95Å; E395-R407 PolarHBondContact OE2-NE 2.78Å; E395-R407 IonicContact OE2-NH2 3.44Å; E395-R407 PolarHBondContact OE2-NH2 2.86Å
396E96.9Very high95.9Very high41 Ų4137.3 Ų37.319%0.19219%0.194CC..EExtended strand (participates in β ladder)trans-91.7148170.9-60.7-174105.700110.6A375 T377 K381 F394 R519 L536A375-E396 CarbonylContact O-C 3.5Å; A375-E396 VanDerWaalsContact O-CA 3.27Å; A375-E396 WeakPolarHBondContact O-CA 3.38Å; T377-E396 HydrophobicContact CG2-CB 4.12Å; K381-E396 VanDerWaalsContact CE-OE1 3.24Å; K381-E396 WeakPolarHBondContact CE-OE1 3.35Å; K381-E396 IonicContact NZ-OE1 3.93Å; K381-E396 PolarHBondContact NZ-OE1 3.28Å; F394-E396 HydrophobicContact CE1-CG 3.58Å; F394-E396 HydrophobicContact CZ-CG 3.87Å; E396-R519 IonicContact OE1-NH2 2.62Å; E396-R519 IonicContact OE2-CZ 2.89Å; E396-R519 IonicContact OE2-NH1 2.72Å; E396-R519 PolarHBondContact OE2-NH1 3.36Å; E396-R519 IonicContact OE2-NH2 2.59Å; E396-R519 PolarHBondContact OE2-NH2 3.18Å; E396-R519 VanDerWaalsContact OE2-NH2 3.07Å; E396-L536 VanDerWaalsContact O-CD2 3.26Å; E396-L536 WeakPolarHBondContact O-CD2 3.14Å
397T96.3Very high95.9Very high9 Ų940.1 Ų40.16%0.05521%0.205CC..EExtended strand (participates in β ladder)trans-127166.3163.476.60000110.9A375 S376 T377 M404 R407A375-T397 PolarHBondContact O-N 2.66Å; S376-T397 CarbonylContact C-O 3.54Å; S376-T397 VanDerWaalsContact CA-O 3.28Å; S376-T397 WeakPolarHBondContact CA-O 3.34Å; T377-T397 WeakPolarHBondContact CG2-O 3.2Å; T377-T397 PolarHBondContact N-O 2.77Å; T397-M404 HydrophobicContact CG2-CG 4.04Å; T397-M404 WeakPolarHBondContact OG1-CG 3.32Å; T397-R407 HydrophobicContact CG2-CB 3.91Å; T397-R407 HydrophobicContact CG2-CG 4.15Å
398L93.7Very high95.9Very high26 Ų2639.8 Ų39.814%0.13620%0.202CC..  trans-57.5154.9170.5-66.8-177.6000111.5W403 L521 P537 M544L398-W403 VanDerWaalsContact CB-CD1 3.43Å; L398-W403 HydrophobicContact CB-CD2 4.13Å; L398-W403 HydrophobicContact CB-CG 3.82Å; L398-W403 HydrophobicContact CD1-CD2 4.29Å; L398-W403 HydrophobicContact CD1-CH2 4.29Å; L398-W403 HydrophobicContact CD1-CZ2 3.66Å; L398-L521 HydrophobicContact CD2-CD1 3.38Å; L398-P537 HydrophobicContact CD1-CB 3.86Å; L398-P537 HydrophobicContact CD1-CG 4.25Å; L398-M544 HydrophobicContact CD2-SD 4.33Å
399T90.2Very high95.9Very high37 Ų3736.5 Ų36.523%0.22718%0.182CC..SBendtrans-59.2138172.2-43.60000111.3V378 E423 R558V378-T399 HydrophobicContact CG2-CG2 4.17Å; V378-T399 WeakPolarHBondContact CG2-OG1 3.36Å; T399-E423 VanDerWaalsContact CG2-OE1 3.32Å; T399-E423 WeakPolarHBondContact CG2-OE1 3.46Å; T399-R558 PolarHBondContact OG1-NH1 3.24Å; T399-R558 VanDerWaalsContact OG1-NH1 3.1Å
400G89.7Confident96Very high23 Ų2334.8 Ų34.824%0.23718%0.179CC..SBendtrans110.6117.1-174.100000109.9K402 W403 E423G400-K402 PolarHBondContact O-N 2.88Å; G400-W403 PolarHBondContact O-N 3.34Å; G400-E423 WeakPolarHBondContact CA-OE1 3.26Å; G400-E423 PolarHBondContact N-OE1 2.84Å
401F92.9Very high96.1Very high4 Ų432.1 Ų32.12%0.01817%0.166CC..Hα-helixtrans-53.6-19.4179-127.8-84.3000115.4W403 M404 G405 A421 E423 M429 D436 K437F401-W403 PolarHBondContact O-N 3.04Å; F401-M404 HydrophobicContact CB-CE 4.35Å; F401-M404 HydrophobicContact CD1-CB 4.29Å; F401-M404 HydrophobicContact CD1-CE 4.23Å; F401-M404 HydrophobicContact CD2-CE 3.14Å; F401-M404 HydrophobicContact CE1-CB 4.35Å; F401-M404 HydrophobicContact CE1-CE 4.34Å; F401-M404 HydrophobicContact CE2-CE 3.28Å; F401-M404 HydrophobicContact CE2-SD 4.41Å; F401-M404 HydrophobicContact CG-CE 3.68Å; F401-M404 HydrophobicContact CZ-CE 3.91Å; F401-M404 PolarHBondContact O-N 3.25Å; F401-G405 PolarHBondContact O-N 3.2Å; F401-A421 HydrophobicContact CZ-CB 4.11Å; F401-E423 HydrophobicContact CD2-CB 4.43Å; F401-E423 HydrophobicContact CD2-CG 4.48Å; F401-E423 VanDerWaalsContact CD2-OE2 3.31Å; F401-E423 WeakPolarHBondContact CD2-OE2 3.39Å; F401-E423 PolarHBondContact N-OE2 3.03Å; F401-E423 VanDerWaalsContact N-OE2 3.09Å; F401-M429 HydrophobicContact CE1-CB 3.55Å; F401-M429 HydrophobicContact CE1-CG 4.33Å; F401-M429 HydrophobicContact CE1-SD 4.11Å; F401-M429 HydrophobicContact CZ-CB 3.46Å; F401-M429 VanDerWaalsContact CZ-CB 3.46Å; F401-D436 WeakPolarHBondContact CB-OD1 3.36Å; F401-K437 HydrophobicContact CB-CD 4.48Å; F401-K437 HydrophobicContact CB-CG 4.1Å; F401-K437 HydrophobicContact CD1-CG 4.22Å; F401-K437 HydrophobicContact CD2-CB 4.36Å; F401-K437 HydrophobicContact CD2-CD 3.74Å; F401-K437 HydrophobicContact CD2-CG 3.06Å; F401-K437 HydrophobicContact CE1-CG 4.45Å; F401-K437 HydrophobicContact CE2-CB 4.42Å; F401-K437 HydrophobicContact CE2-CD 4.33Å; F401-K437 HydrophobicContact CE2-CG 3.38Å; F401-K437 HydrophobicContact CG-CD 4.31Å; F401-K437 HydrophobicContact CG-CG 3.52Å; F401-K437 HydrophobicContact CZ-CG 4.08Å
402K93.9Very high96.1Very high30 Ų3032.6 Ų32.613%0.1316%0.159CC..Hα-helixtrans-49.2-40.7166.569.7-177.7-177.9170.40112.7T58 Q182 V184 G400 N406T58-K402 VanDerWaalsContact CB-CD 3.46Å; T58-K402 HydrophobicContact CG2-CD 4.09Å; T58-K402 VanDerWaalsContact CG2-NZ 3.32Å; T58-K402 PolarHBondContact OG1-NZ 2.95Å; Q182-K402 HydrophobicContact CB-CB 3.61Å; V184-K402 HydrophobicContact CG1-CB 4.1Å; V184-K402 HydrophobicContact CG1-CD 4.04Å; V184-K402 HydrophobicContact CG1-CG 4Å; G400-K402 PolarHBondContact O-N 2.88Å; K402-N406 WeakPolarHBondContact O-CB 3.31Å; K402-N406 PolarHBondContact O-N 3.1Å; K402-N406 VanDerWaalsContact O-N 3.16Å; K402-N406 PolarHBondContact O-ND2 2.85Å
403W95.6Very high96.1Very high69 Ų6937.2 Ų37.226%0.26118%0.184SC..Hα-helixtrans-74.8-43.4-178.1-64.1111.3000111.4V184 L398 G400 F401 R407 P537V184-W403 HydrophobicContact CG1-CE3 4.28Å; V184-W403 HydrophobicContact CG1-CZ3 4.38Å; L398-W403 VanDerWaalsContact CB-CD1 3.43Å; L398-W403 HydrophobicContact CB-CD2 4.13Å; L398-W403 HydrophobicContact CB-CG 3.82Å; L398-W403 HydrophobicContact CD1-CD2 4.29Å; L398-W403 HydrophobicContact CD1-CH2 4.29Å; L398-W403 HydrophobicContact CD1-CZ2 3.66Å; G400-W403 PolarHBondContact O-N 3.34Å; F401-W403 PolarHBondContact O-N 3.04Å; W403-R407 VanDerWaalsContact O-CB 3.27Å; W403-R407 WeakPolarHBondContact O-CB 3.4Å; W403-R407 PolarHBondContact O-N 3.49Å; W403-P537 HydrophobicContact CE3-CG 4.1Å; W403-P537 HydrophobicContact CH2-CB 3.92Å; W403-P537 HydrophobicContact CH2-CG 4Å; W403-P537 HydrophobicContact CZ3-CB 4.06Å; W403-P537 HydrophobicContact CZ3-CG 3.62Å
404M96Very high96.1Very high0 Ų038.8 Ų38.80%019%0.192CC..Hα-helixtrans-67.4-41.8177.2-68.2-175-71.600112L374 T397 F401 R407 A408 A421 E423L374-M404 HydrophobicContact CB-CG 4.49Å; T397-M404 HydrophobicContact CG2-CG 4.04Å; T397-M404 WeakPolarHBondContact OG1-CG 3.32Å; F401-M404 HydrophobicContact CB-CE 4.35Å; F401-M404 HydrophobicContact CD1-CB 4.29Å; F401-M404 HydrophobicContact CD1-CE 4.23Å; F401-M404 HydrophobicContact CD2-CE 3.14Å; F401-M404 HydrophobicContact CE1-CB 4.35Å; F401-M404 HydrophobicContact CE1-CE 4.34Å; F401-M404 HydrophobicContact CE2-CE 3.28Å; F401-M404 HydrophobicContact CE2-SD 4.41Å; F401-M404 HydrophobicContact CG-CE 3.68Å; F401-M404 HydrophobicContact CZ-CE 3.91Å; F401-M404 PolarHBondContact O-N 3.25Å; M404-R407 PolarHBondContact O-N 2.94Å; M404-A408 WeakPolarHBondContact O-CB 3.4Å; M404-A408 PolarHBondContact O-N 3.32Å; M404-A421 HydrophobicContact CB-CB 4.47Å; M404-A421 HydrophobicContact SD-CB 4.19Å; M404-E423 HydrophobicContact CE-CB 4.14Å; M404-E423 HydrophobicContact CE-CG 3.41Å; M404-E423 VanDerWaalsContact CE-CG 3.41Å
405G97.1Very high96Very high0 Ų040.1 Ų40.10%022%0.215CC..Hα-helixtrans-62.6-46.317800000112.3F401 A408 K409 L435F401-G405 PolarHBondContact O-N 3.2Å; G405-A408 PolarHBondContact O-N 3.03Å; G405-K409 PolarHBondContact O-N 3.11Å; G405-L435 WeakPolarHBondContact CA-O 3.26Å
406N97.6Very high96Very high28 Ų2840.5 Ų40.515%0.1522%0.216CC..Hα-helixtrans-66.2-42.3175-77.2-80.1000111.6N179 Q182 K402 A408 K409 D410N179-N406 PolarHBondContact ND2-OD1 3.41Å; Q182-N406 PolarHBondContact O-ND2 2.88Å; K402-N406 WeakPolarHBondContact O-CB 3.31Å; K402-N406 PolarHBondContact O-N 3.1Å; K402-N406 VanDerWaalsContact O-N 3.16Å; K402-N406 PolarHBondContact O-ND2 2.85Å; N406-A408 VanDerWaalsContact C-N 3.32Å; N406-A408 PolarHBondContact O-N 3.34Å; N406-K409 WeakPolarHBondContact O-CB 3.37Å; N406-K409 PolarHBondContact O-N 3.36Å; N406-D410 PolarHBondContact O-N 3.39Å
407R97.6Very high95.9Very high64 Ų6441.3 Ų41.324%0.24223%0.226CC..Hα-helixtrans-64.8-37.8176.9-176.455.3-178.2147.55.6112.3L374 E395 T397 W403 M404 K409 D410 L411L374-R407 HydrophobicContact CD1-CB 4.48Å; L374-R407 HydrophobicContact CD1-CG 4.45Å; E395-R407 VanDerWaalsContact CD-NH2 3.29Å; E395-R407 IonicContact OE1-CZ 2.67Å; E395-R407 IonicContact OE1-NH2 2.7Å; E395-R407 PolarHBondContact OE1-NH2 3.31Å; E395-R407 IonicContact OE2-CZ 2.81Å; E395-R407 IonicContact OE2-NE 3.95Å; E395-R407 PolarHBondContact OE2-NE 2.78Å; E395-R407 IonicContact OE2-NH2 3.44Å; E395-R407 PolarHBondContact OE2-NH2 2.86Å; T397-R407 HydrophobicContact CG2-CB 3.91Å; T397-R407 HydrophobicContact CG2-CG 4.15Å; W403-R407 VanDerWaalsContact O-CB 3.27Å; W403-R407 WeakPolarHBondContact O-CB 3.4Å; W403-R407 PolarHBondContact O-N 3.49Å; M404-R407 PolarHBondContact O-N 2.94Å; R407-K409 VanDerWaalsContact C-N 3.33Å; R407-D410 PolarHBondContact O-N 3.45Å; R407-L411 HydrophobicContact CG-CD1 4.33Å; R407-L411 WeakPolarHBondContact O-CG 3.38Å; R407-L411 PolarHBondContact O-N 2.99Å
408A98.1Very high96Very high0 Ų041.2 Ų41.20%023%0.225CC..Hα-helixtrans-62.3-43.117400000110.8L374 M404 G405 N406 D410 L411 L412 V418 M429 L435L374-A408 HydrophobicContact CD1-CB 3.93Å; M404-A408 WeakPolarHBondContact O-CB 3.4Å; M404-A408 PolarHBondContact O-N 3.32Å; G405-A408 PolarHBondContact O-N 3.03Å; N406-A408 VanDerWaalsContact C-N 3.32Å; N406-A408 PolarHBondContact O-N 3.34Å; A408-D410 PolarHBondContact O-N 3.09Å; A408-L411 PolarHBondContact O-N 2.89Å; A408-L412 WeakPolarHBondContact O-CG 3.13Å; A408-L412 PolarHBondContact O-N 3.18Å; A408-V418 HydrophobicContact CB-CB 4.43Å; A408-V418 HydrophobicContact CB-CG1 4.05Å; A408-V418 HydrophobicContact CB-CG2 4.17Å; A408-M429 HydrophobicContact CB-CE 3.96Å; A408-M429 HydrophobicContact CB-SD 4.5Å; A408-L435 HydrophobicContact CB-CD2 4.19Å
409K97.9Very high96.1Very high53 Ų5341.2 Ų41.223%0.2323%0.225CC..Hα-helixtrans-57.1-48.9173.1-174.561.7167.468.20111.9N179 G405 N406 R407 L411 L412 D413 L435N179-K409 HydrophobicContact CB-CD 4.37Å; N179-K409 HydrophobicContact CB-CG 4.1Å; G405-K409 PolarHBondContact O-N 3.11Å; N406-K409 WeakPolarHBondContact O-CB 3.37Å; N406-K409 PolarHBondContact O-N 3.36Å; R407-K409 VanDerWaalsContact C-N 3.33Å; K409-L411 VanDerWaalsContact C-N 3.27Å; K409-L411 PolarHBondContact O-N 2.84Å; K409-L412 PolarHBondContact O-N 3.1Å; K409-D413 IonicContact NZ-OD1 3.89Å; K409-D413 PolarHBondContact NZ-OD1 3.3Å; K409-D413 IonicContact NZ-OD2 2.81Å; K409-D413 PolarHBondContact NZ-OD2 2.81Å; K409-D413 PolarHBondContact O-N 2.67Å; K409-L435 HydrophobicContact CB-CD1 3.75Å; K409-L435 HydrophobicContact CD-CD1 3.9Å; K409-L435 HydrophobicContact CG-CD1 4.32Å
410D97.8Very high96.5Very high77 Ų7739.4 Ų39.441%0.41222%0.215SC..Hα-helixtrans-58-41.8179.9-64.5-23.1000111.8N406 R407 A408 D413 Q414N406-D410 PolarHBondContact O-N 3.39Å; R407-D410 PolarHBondContact O-N 3.45Å; A408-D410 PolarHBondContact O-N 3.09Å; D410-D413 PolarHBondContact O-N 3.08Å; D410-Q414 WeakPolarHBondContact O-CG 3.4Å; D410-Q414 PolarHBondContact O-N 3.42Å; D410-Q414 VanDerWaalsContact O-N 3.14Å; D410-Q414 PolarHBondContact O-NE2 2.9Å
411L98.2Very high97Very high0 Ų038.3 Ų38.30%020%0.203CC..Hα-helixtrans-66.5-44.5177.6-73.7168.2000111.5Y372 L374 R407 A408 K409 D413 Q414 G415 K416 V418Y372-L411 HydrophobicContact CD1-CD1 3.74Å; Y372-L411 HydrophobicContact CD1-CD2 3.75Å; Y372-L411 HydrophobicContact CD1-CG 4.42Å; Y372-L411 HydrophobicContact CD2-CD2 4.22Å; Y372-L411 HydrophobicContact CE1-CD1 4.45Å; Y372-L411 HydrophobicContact CE1-CD2 3.64Å; Y372-L411 HydrophobicContact CE2-CD2 4.15Å; Y372-L411 HydrophobicContact CG-CD1 3.85Å; Y372-L411 HydrophobicContact CG-CD2 4.05Å; L374-L411 HydrophobicContact CD1-CD1 4.49Å; L374-L411 HydrophobicContact CD2-CD1 3.94Å; R407-L411 HydrophobicContact CG-CD1 4.33Å; R407-L411 WeakPolarHBondContact O-CG 3.38Å; R407-L411 PolarHBondContact O-N 2.99Å; A408-L411 PolarHBondContact O-N 2.89Å; K409-L411 VanDerWaalsContact C-N 3.27Å; K409-L411 PolarHBondContact O-N 2.84Å; L411-D413 VanDerWaalsContact C-N 3.31Å; L411-D413 PolarHBondContact O-N 3.33Å; L411-Q414 CarbonylContact O-C 3.55Å; L411-Q414 WeakPolarHBondContact O-CB 3.5Å; L411-Q414 PolarHBondContact O-N 3.04Å; L411-Q414 VanDerWaalsContact O-N 3.15Å; L411-G415 PolarHBondContact O-N 3.48Å; L411-K416 HydrophobicContact CB-CB 4.17Å; L411-K416 HydrophobicContact CD2-CB 4.38Å; L411-K416 HydrophobicContact CD2-CG 4.22Å; L411-K416 WeakPolarHBondContact O-CA 3.46Å; L411-K416 WeakPolarHBondContact O-CB 3.31Å; L411-K416 PolarHBondContact O-N 3.21Å; L411-V418 HydrophobicContact CB-CG2 3.73Å; L411-V418 HydrophobicContact CD1-CG2 3.92Å; L411-V418 HydrophobicContact CG-CG2 4.49Å
412L97.4Very high97.2Very high48 Ų4838.1 Ų38.125%0.25120%0.203SC..Hα-helixtrans-60.9-40.8176.3-67.8167.6000111.4A408 K409 Q414 G415 V418 N432 L435A408-L412 WeakPolarHBondContact O-CG 3.13Å; A408-L412 PolarHBondContact O-N 3.18Å; K409-L412 PolarHBondContact O-N 3.1Å; L412-Q414 PolarHBondContact O-N 2.85Å; L412-G415 WeakPolarHBondContact O-CA 3.43Å; L412-G415 PolarHBondContact O-N 3.38Å; L412-V418 HydrophobicContact CG-CG2 4.37Å; L412-N432 HydrophobicContact CD1-CB 4.48Å; L412-L435 HydrophobicContact CD1-CD2 4.11Å
413D97.1Very high97.3Very high106 Ų10637.5 Ų37.557%0.56720%0.2SC*.Hα-helixtrans-66.8-26.6176.8-71.4-16.7000113K409 D410 L411 G415K409-D413 IonicContact NZ-OD1 3.89Å; K409-D413 PolarHBondContact NZ-OD1 3.3Å; K409-D413 IonicContact NZ-OD2 2.81Å; K409-D413 PolarHBondContact NZ-OD2 2.81Å; K409-D413 PolarHBondContact O-N 2.67Å; D410-D413 PolarHBondContact O-N 3.08Å; L411-D413 VanDerWaalsContact C-N 3.31Å; L411-D413 PolarHBondContact O-N 3.33Å; D413-G415 PolarHBondContact O-N 2.9Å
414Q97.7Very high97.3Very high115 Ų11535.6 Ų35.654%0.53719%0.194SC..THydrogen-bonded Turntrans-80.45.4171.8-68167.335.600112.9D410 L411 L412 K416D410-Q414 WeakPolarHBondContact O-CG 3.4Å; D410-Q414 PolarHBondContact O-N 3.42Å; D410-Q414 VanDerWaalsContact O-N 3.14Å; D410-Q414 PolarHBondContact O-NE2 2.9Å; L411-Q414 CarbonylContact O-C 3.55Å; L411-Q414 WeakPolarHBondContact O-CB 3.5Å; L411-Q414 PolarHBondContact O-N 3.04Å; L411-Q414 VanDerWaalsContact O-N 3.15Å; L412-Q414 PolarHBondContact O-N 2.85Å; Q414-K416 VanDerWaalsContact C-N 3.27Å; Q414-K416 HydrophobicContact CB-CG 4.19Å; Q414-K416 PolarHBondContact O-N 3.28Å
415G96.7Very high97.2Very high62 Ų6236.6 Ų36.664%0.63920%0.203SC*.THydrogen-bonded Turntrans72.318.9-176.700000113.6L411 L412 D413L411-G415 PolarHBondContact O-N 3.48Å; L412-G415 WeakPolarHBondContact O-CA 3.43Å; L412-G415 PolarHBondContact O-N 3.38Å; D413-G415 PolarHBondContact O-N 2.9Å
416K97.2Very high97.2Very high59 Ų5936.8 Ų36.826%0.25720%0.203SC..  trans-86.2163.9173.7-52.6-53.2-169.1179.10110.8N370 Y372 L411 Q414N370-K416 PolarHBondContact OD1-NZ 2.94Å; Y372-K416 HydrophobicContact CD2-CB 3.82Å; Y372-K416 HydrophobicContact CD2-CG 4.28Å; Y372-K416 HydrophobicContact CE2-CB 3.75Å; Y372-K416 HydrophobicContact CE2-CD 3.93Å; Y372-K416 HydrophobicContact CE2-CG 3.69Å; L411-K416 HydrophobicContact CB-CB 4.17Å; L411-K416 HydrophobicContact CD2-CB 4.38Å; L411-K416 HydrophobicContact CD2-CG 4.22Å; L411-K416 WeakPolarHBondContact O-CA 3.46Å; L411-K416 WeakPolarHBondContact O-CB 3.31Å; L411-K416 PolarHBondContact O-N 3.21Å; Q414-K416 VanDerWaalsContact C-N 3.27Å; Q414-K416 HydrophobicContact CB-CG 4.19Å; Q414-K416 PolarHBondContact O-N 3.28Å
417S95.9Very high97.2Very high57 Ų5735.4 Ų35.440%0.39920%0.196SC..EExtended strand (participates in β ladder)trans-109.7121.3177.9-69.80000110.1N370 L371 Y372N370-S417 PolarHBondContact O-N 2.96Å; L371-S417 CarbonylContact C-O 3.48Å; L371-S417 WeakPolarHBondContact CA-O 3.43Å; Y372-S417 PolarHBondContact N-O 3Å
418V97.9Very high97.2Very high7 Ų732.4 Ų32.44%0.04219%0.185CC..EExtended strand (participates in β ladder)trans-100.7110.6174.1-178.20000108.1Y372 L374 A408 L411 L412 M429Y372-V418 WeakPolarHBondContact O-CA 3.46Å; L374-V418 HydrophobicContact CD1-CG1 4.17Å; L374-V418 HydrophobicContact CG-CG1 4.35Å; A408-V418 HydrophobicContact CB-CB 4.43Å; A408-V418 HydrophobicContact CB-CG1 4.05Å; A408-V418 HydrophobicContact CB-CG2 4.17Å; L411-V418 HydrophobicContact CB-CG2 3.73Å; L411-V418 HydrophobicContact CD1-CG2 3.92Å; L411-V418 HydrophobicContact CG-CG2 4.49Å; L412-V418 HydrophobicContact CG-CG2 4.37Å; V418-M429 HydrophobicContact CG1-CE 3.62Å
419L96.8Very high97.2Very high26 Ų2632.6 Ų32.614%0.13619%0.186CC..EExtended strand (participates in β ladder)trans-89.3-35.3-171.8-174.357.8000112.3M354 W358 L371 Y372 M373M354-L419 HydrophobicContact CB-CD1 4.42Å; M354-L419 HydrophobicContact CB-CD2 4.39Å; M354-L419 HydrophobicContact CB-CG 4.02Å; M354-L419 HydrophobicContact CE-CD1 4.04Å; M354-L419 WeakPolarHBondContact CE-O 3.43Å; W358-L419 HydrophobicContact CB-CD1 4.29Å; W358-L419 HydrophobicContact CB-CD2 3.83Å; W358-L419 HydrophobicContact CG-CD2 4.15Å; L371-L419 HydrophobicContact CD1-CD2 4.33Å; Y372-L419 PolarHBondContact O-N 3.46Å; M373-L419 HydrophobicContact CE-CB 4.26Å; M373-L419 HydrophobicContact CE-CD2 3.66Å; M373-L419 HydrophobicContact CE-CG 4.05Å
420F98.5Very high97.1Very high0 Ų030.1 Ų30.10%018%0.175CC..EExtended strand (participates in β ladder)trans-158.5142.6-176.7-178.3-119.7000111.1G347 L350 M354 M373 L374 L383 F422 Y428 M429G347-F420 WeakPolarHBondContact O-CE1 3.15Å; L350-F420 HydrophobicContact CB-CE1 4.41Å; L350-F420 HydrophobicContact CB-CE2 3.78Å; L350-F420 HydrophobicContact CB-CZ 3.61Å; L350-F420 HydrophobicContact CD1-CE2 4.4Å; L350-F420 HydrophobicContact CD1-CZ 4.4Å; M354-F420 HydrophobicContact CB-CB 4.41Å; M354-F420 HydrophobicContact CG-CB 4.32Å; M354-F420 HydrophobicContact CG-CD2 4.2Å; M354-F420 HydrophobicContact CG-CG 4.43Å; M373-F420 CarbonylContact C-O 3.45Å; M373-F420 WeakPolarHBondContact CA-O 3.36Å; M373-F420 HydrophobicContact CE-CB 4.23Å; M373-F420 HydrophobicContact CG-CB 4.13Å; M373-F420 HydrophobicContact SD-CB 4.12Å; M373-F420 HydrophobicContact SD-CD1 4.41Å; L374-F420 PolarHBondContact N-O 3.48Å; L383-F420 HydrophobicContact CD1-CD1 3.74Å; L383-F420 HydrophobicContact CD1-CE1 4.01Å; F420-F422 HydrophobicContact CD1-CD1 4.46Å; F420-F422 HydrophobicContact CE1-CB 3.81Å; F420-F422 AromaticContact CE1-CD1 3.77Å; F420-F422 HydrophobicContact CE1-CD1 3.77Å; F420-F422 HydrophobicContact CE1-CG 4.03Å; F420-F422 HydrophobicContact CE2-CB 4.49Å; F420-F422 HydrophobicContact CZ-CB 3.68Å; F420-F422 HydrophobicContact CZ-CD1 4.47Å; F420-F422 HydrophobicContact CZ-CG 4.28Å; F420-Y428 HydrophobicContact CE2-CD1 4.22Å; F420-Y428 AromaticContact CZ-CD1 3.85Å; F420-Y428 HydrophobicContact CZ-CD1 3.85Å; F420-M429 WeakPolarHBondContact CA-O 3.49Å
421A98.4Very high96.9Very high0 Ų026.6 Ų26.60%016%0.157CC..EExtended strand (participates in β ladder)trans-135.7144.8165.800000110.9L374 F401 M404 M429L374-A421 HydrophobicContact CB-CB 3.77Å; L374-A421 HydrophobicContact CD1-CB 4.44Å; L374-A421 HydrophobicContact CG-CB 4.44Å; L374-A421 VanDerWaalsContact O-CA 3.24Å; L374-A421 WeakPolarHBondContact O-CA 3.4Å; F401-A421 HydrophobicContact CZ-CB 4.11Å; M404-A421 HydrophobicContact CB-CB 4.47Å; M404-A421 HydrophobicContact SD-CB 4.19Å; A421-M429 HydrophobicContact CB-CB 4.2Å; A421-M429 HydrophobicContact CB-CE 3.68Å; A421-M429 PolarHBondContact N-O 3.04Å; A421-M429 VanDerWaalsContact N-O 3.13Å; A421-M429 PolarHBondContact O-N 3.44Å
422F98.1Very high96.5Very high0 Ų030 Ų300%018%0.175CC..EExtended strand (participates in β ladder)trans-146157.6176.586.1-74.5000115.8L374 A375 S376 L383 F420 G427 Y428L374-F422 PolarHBondContact O-N 3.15Å; L374-F422 VanDerWaalsContact O-N 3.13Å; A375-F422 WeakPolarHBondContact CA-O 3.44Å; A375-F422 HydrophobicContact CB-CD1 3.83Å; A375-F422 HydrophobicContact CB-CE1 3.49Å; A375-F422 VanDerWaalsContact CB-CE1 3.49Å; A375-F422 HydrophobicContact CB-CZ 4.15Å; S376-F422 PolarHBondContact N-O 2.84Å; L383-F422 HydrophobicContact CD1-CD1 3.5Å; L383-F422 HydrophobicContact CD1-CE1 3.41Å; L383-F422 VanDerWaalsContact CD1-CE1 3.41Å; L383-F422 HydrophobicContact CG-CD1 4.26Å; L383-F422 HydrophobicContact CG-CE1 3.7Å; F420-F422 HydrophobicContact CD1-CD1 4.46Å; F420-F422 HydrophobicContact CE1-CB 3.81Å; F420-F422 AromaticContact CE1-CD1 3.77Å; F420-F422 HydrophobicContact CE1-CD1 3.77Å; F420-F422 HydrophobicContact CE1-CG 4.03Å; F420-F422 HydrophobicContact CE2-CB 4.49Å; F420-F422 HydrophobicContact CZ-CB 3.68Å; F420-F422 HydrophobicContact CZ-CD1 4.47Å; F420-F422 HydrophobicContact CZ-CG 4.28Å; F422-G427 CarbonylContact C-O 3.01Å; F422-G427 VanDerWaalsContact CA-O 3.27Å; F422-G427 WeakPolarHBondContact CA-O 3.29Å; F422-Y428 HydrophobicContact CB-CD1 3.66Å; F422-Y428 HydrophobicContact CB-CE1 4.06Å; F422-Y428 HydrophobicContact CD2-CE1 4.39Å
423E96.5Very high96.3Very high17 Ų1729.5 Ų29.58%0.07918%0.175CC..EExtended strand (participates in β ladder)trans-120.6138.3169.4-104176.7138.900110.4T399 G400 F401 M404 A425 I426 G427T399-E423 VanDerWaalsContact CG2-OE1 3.32Å; T399-E423 WeakPolarHBondContact CG2-OE1 3.46Å; G400-E423 WeakPolarHBondContact CA-OE1 3.26Å; G400-E423 PolarHBondContact N-OE1 2.84Å; F401-E423 HydrophobicContact CD2-CB 4.43Å; F401-E423 HydrophobicContact CD2-CG 4.48Å; F401-E423 VanDerWaalsContact CD2-OE2 3.31Å; F401-E423 WeakPolarHBondContact CD2-OE2 3.39Å; F401-E423 PolarHBondContact N-OE2 3.03Å; F401-E423 VanDerWaalsContact N-OE2 3.09Å; M404-E423 HydrophobicContact CE-CB 4.14Å; M404-E423 HydrophobicContact CE-CG 3.41Å; M404-E423 VanDerWaalsContact CE-CG 3.41Å; E423-A425 PolarHBondContact O-N 3.11Å; E423-A425 VanDerWaalsContact O-N 3.11Å; E423-I426 PolarHBondContact O-N 3.41Å; E423-G427 PolarHBondContact N-O 3.47Å; E423-G427 PolarHBondContact O-N 2.8Å
424E95.1Very high96.3Very high28 Ų2824.5 Ų24.513%0.13115%0.149CC..THydrogen-bonded Turntrans-57.5-26179.467.887-150.400113.5G343 N344 V378 S379 I426 N478 Y569G343-E424 VanDerWaalsContact CA-O 3.25Å; G343-E424 WeakPolarHBondContact CA-O 3.21Å; N344-E424 VanDerWaalsContact OD1-CB 3.25Å; N344-E424 WeakPolarHBondContact OD1-CB 3.48Å; V378-E424 HydrophobicContact CG2-CG 4.25Å; S379-E424 PolarHBondContact OG-N 2.92Å; E424-I426 PolarHBondContact O-N 3.24Å; E424-N478 PolarHBondContact OE2-ND2 2.97Å; E424-N478 VanDerWaalsContact OE2-ND2 3.14Å; E424-Y569 HydrophobicContact CG-CE1 4.44Å; E424-Y569 WeakPolarHBondContact OE1-CE1 3.26Å
425A93.6Very high96.3Very high22 Ų2219.4 Ų19.418%0.18213%0.125CC..THydrogen-bonded Turntrans-76.747.5170.600000111.9E423 G427E423-A425 PolarHBondContact O-N 3.11Å; E423-A425 VanDerWaalsContact O-N 3.11Å; A425-G427 VanDerWaalsContact C-N 3.26Å; A425-G427 PolarHBondContact O-N 3.47Å; A425-G427 VanDerWaalsContact O-N 3.13Å
426I96.5Very high96.3Very high3 Ų316.5 Ų16.52%0.01510%0.095CC..THydrogen-bonded Turntrans51.933.4172.259.8163.8000115.9P295 E296 R326 L327 A328 E423 E424 Y428P295-I426 HydrophobicContact CG-CD1 3.76Å; E296-I426 HydrophobicContact CB-CD1 3.85Å; E296-I426 HydrophobicContact CB-CG1 4.27Å; R326-I426 VanDerWaalsContact CA-O 3.29Å; R326-I426 WeakPolarHBondContact CA-O 3.49Å; R326-I426 HydrophobicContact CB-CD1 3.83Å; R326-I426 HydrophobicContact CB-CG1 3.87Å; R326-I426 WeakPolarHBondContact CB-O 3.34Å; R326-I426 HydrophobicContact CG-CD1 4.33Å; R326-I426 HydrophobicContact CG-CG1 3.96Å; L327-I426 PolarHBondContact N-O 3.33Å; L327-I426 WeakPolarHBondContact O-CB 3.31Å; A328-I426 HydrophobicContact CB-CD1 4.45Å; E423-I426 PolarHBondContact O-N 3.41Å; E424-I426 PolarHBondContact O-N 3.24Å; I426-Y428 VanDerWaalsContact C-CE2 3.47Å; I426-Y428 WeakPolarHBondContact CA-OH 3.31Å; I426-Y428 HydrophobicContact CB-CE2 4.44Å; I426-Y428 WeakPolarHBondContact O-CE2 3.47Å
427G97.7Very high96.3Very high0 Ų014.3 Ų14.30%09%0.085CC..EExtended strand (participates in β ladder)trans-109.1128.4-179.300000112.5F422 E423 A425F422-G427 CarbonylContact C-O 3.01Å; F422-G427 VanDerWaalsContact CA-O 3.27Å; F422-G427 WeakPolarHBondContact CA-O 3.29Å; E423-G427 PolarHBondContact N-O 3.47Å; E423-G427 PolarHBondContact O-N 2.8Å; A425-G427 VanDerWaalsContact C-N 3.26Å; A425-G427 PolarHBondContact O-N 3.47Å; A425-G427 VanDerWaalsContact O-N 3.13Å
428Y98.4Very high96.5Very high1 Ų111.7 Ų11.70%0.0047%0.067CC..EExtended strand (participates in β ladder)trans-136.2135.6-173.5-48.6-71.5000112L327 G343 L346 L350 F420 F422 I426 K437 D438 A442L327-Y428 HydrophobicContact CB-CD2 4.13Å; L327-Y428 HydrophobicContact CB-CE2 4.14Å; L327-Y428 VanDerWaalsContact O-CE2 3.31Å; L327-Y428 WeakPolarHBondContact O-CE2 3.28Å; G343-Y428 VanDerWaalsContact CA-OH 3.23Å; G343-Y428 WeakPolarHBondContact CA-OH 3.22Å; G343-Y428 PolarHBondContact O-OH 2.91Å; L346-Y428 HydrophobicContact CB-CE1 4.2Å; L346-Y428 WeakPolarHBondContact CB-OH 3.48Å; L350-Y428 HydrophobicContact CD1-CD1 3.7Å; L350-Y428 HydrophobicContact CD1-CD2 3.98Å; L350-Y428 HydrophobicContact CD1-CE1 4.09Å; L350-Y428 HydrophobicContact CD1-CE2 4.33Å; L350-Y428 HydrophobicContact CD1-CG 3.65Å; F420-Y428 HydrophobicContact CE2-CD1 4.22Å; F420-Y428 AromaticContact CZ-CD1 3.85Å; F420-Y428 HydrophobicContact CZ-CD1 3.85Å; F422-Y428 HydrophobicContact CB-CD1 3.66Å; F422-Y428 HydrophobicContact CB-CE1 4.06Å; F422-Y428 HydrophobicContact CD2-CE1 4.39Å; I426-Y428 VanDerWaalsContact C-CE2 3.47Å; I426-Y428 WeakPolarHBondContact CA-OH 3.31Å; I426-Y428 HydrophobicContact CB-CE2 4.44Å; I426-Y428 WeakPolarHBondContact O-CE2 3.47Å; Y428-K437 WeakPolarHBondContact O-CA 3.38Å; Y428-D438 PolarHBondContact O-N 3.44Å; Y428-A442 HydrophobicContact CD2-CB 4.33Å
429M98Very high96.5Very high3 Ų311.4 Ų11.42%0.0157%0.065CC..EExtended strand (participates in β ladder)trans-114.293.5168.4179.6-171.384.600107.8F401 A408 V418 F420 A421 V434 L435F401-M429 HydrophobicContact CE1-CB 3.55Å; F401-M429 HydrophobicContact CE1-CG 4.33Å; F401-M429 HydrophobicContact CE1-SD 4.11Å; F401-M429 HydrophobicContact CZ-CB 3.46Å; F401-M429 VanDerWaalsContact CZ-CB 3.46Å; A408-M429 HydrophobicContact CB-CE 3.96Å; A408-M429 HydrophobicContact CB-SD 4.5Å; V418-M429 HydrophobicContact CG1-CE 3.62Å; F420-M429 WeakPolarHBondContact CA-O 3.49Å; A421-M429 HydrophobicContact CB-CB 4.2Å; A421-M429 HydrophobicContact CB-CE 3.68Å; A421-M429 PolarHBondContact N-O 3.04Å; A421-M429 VanDerWaalsContact N-O 3.13Å; A421-M429 PolarHBondContact O-N 3.44Å; M429-V434 VanDerWaalsContact CG-O 3.28Å; M429-V434 WeakPolarHBondContact CG-O 3.21Å; M429-L435 HydrophobicContact SD-CD2 4.14Å
430C96.4Very high96.6Very high2 Ų210.1 Ų10.11%0.0146%0.058CC..  trans-93-12.3178.1-55.30000112.7M354 I445M354-C430 HydrophobicContact CE-CB 4.49Å; M354-C430 WeakPolarHBondContact CE-O 3.45Å; M354-C430 HydrophobicContact SD-CB 4.19Å; C430-I445 HydrophobicContact CB-CD1 3.31Å
431C92.3Very high96.6Very high3 Ų310.1 Ų10.12%0.026%0.058CC..  trans-126.2129.3178.3-1790000109.3H235 S433 V434H235-C431 VanDerWaalsContact CD2-SG 3.56Å; H235-C431 PolarHBondContact NE2-SG 2.94Å; C431-S433 PolarHBondContact O-N 3.44Å; C431-S433 PolarHBondContact SG-N 3.42Å; C431-V434 PolarHBondContact O-N 2.92Å
432N90.6Very high96.6Very high71 Ų7110.1 Ų10.138%0.386%0.058SC..THydrogen-bonded Turntrans-78.1-1.6179.866.11.2000113.9L412 V434L412-N432 HydrophobicContact CD1-CB 4.48Å; N432-V434 PolarHBondContact O-N 2.88Å
433S93.5Very high96.6Very high38 Ų3810.1 Ų10.127%0.2666%0.058SC..THydrogen-bonded Turntrans-76-13.1172.5-58.80000112.6C431C431-S433 PolarHBondContact O-N 3.44Å; C431-S433 PolarHBondContact SG-N 3.42Å
434V97.3Very high96.7Very high1 Ų19.3 Ų9.31%0.0066%0.055CC..  trans-125.8114.3176.1-178.70000108.3P144 P147 F148 Y228 M429 C431 N432 D436 D438P144-V434 HydrophobicContact CB-CG1 3.89Å; P144-V434 HydrophobicContact CB-CG2 4.42Å; P147-V434 HydrophobicContact CG-CG1 4Å; F148-V434 HydrophobicContact CB-CG2 4.01Å; F148-V434 HydrophobicContact CD2-CG2 4.26Å; Y228-V434 HydrophobicContact CE2-CG2 4.07Å; M429-V434 VanDerWaalsContact CG-O 3.28Å; M429-V434 WeakPolarHBondContact CG-O 3.21Å; C431-V434 PolarHBondContact O-N 2.92Å; N432-V434 PolarHBondContact O-N 2.88Å; V434-D436 HydrophobicContact CG1-CB 4.36Å; V434-D436 PolarHBondContact O-N 2.95Å; V434-D438 HydrophobicContact CG1-CB 4.39Å
435L97.2Very high96.9Very high7 Ų78 Ų84%0.0375%0.049CC..SBendtrans-91.944.4179.2-57.3-174.8000112A181 G405 A408 K409 L412 M429A181-L435 HydrophobicContact CB-CB 4.21Å; G405-L435 WeakPolarHBondContact CA-O 3.26Å; A408-L435 HydrophobicContact CB-CD2 4.19Å; K409-L435 HydrophobicContact CB-CD1 3.75Å; K409-L435 HydrophobicContact CD-CD1 3.9Å; K409-L435 HydrophobicContact CG-CD1 4.32Å; L412-L435 HydrophobicContact CD1-CD2 4.11Å; M429-L435 HydrophobicContact SD-CD2 4.14Å
436D97.2Very high97.2Very high1 Ų17 Ų71%0.0054%0.04CC..SBendtrans-149.4180172-156.8-18000108.1P147 Y176 Q182 F401 V434P147-D436 HydrophobicContact CG-CB 4.31Å; Y176-D436 HydrophobicContact CE1-CB 4.18Å; Y176-D436 WeakPolarHBondContact CE1-OD2 3.39Å; Y176-D436 VanDerWaalsContact CZ-OD2 3.32Å; Y176-D436 PolarHBondContact OH-OD2 3.02Å; Q182-D436 PolarHBondContact NE2-OD1 3.3Å; Q182-D436 PolarHBondContact NE2-OD2 2.91Å; F401-D436 WeakPolarHBondContact CB-OD1 3.36Å; V434-D436 HydrophobicContact CG1-CB 4.36Å; V434-D436 PolarHBondContact O-N 2.95Å
437K97.6Very high97.3Very high14 Ų146.9 Ų6.96%0.0614%0.039CC..  trans-63.9140.8171.2-51.3167.5-61.3-53.50110D325 F401 Y428D325-K437 HydrophobicContact CB-CB 4.11Å; D325-K437 CarbonylContact O-C 3.55Å; D325-K437 WeakPolarHBondContact O-CB 3.2Å; D325-K437 WeakPolarHBondContact OD1-CE 3.22Å; D325-K437 WeakPolarHBondContact OD2-CE 3.36Å; D325-K437 IonicContact OD2-NZ 3.85Å; D325-K437 PolarHBondContact OD2-NZ 2.95Å; F401-K437 HydrophobicContact CB-CD 4.48Å; F401-K437 HydrophobicContact CB-CG 4.1Å; F401-K437 HydrophobicContact CD1-CG 4.22Å; F401-K437 HydrophobicContact CD2-CB 4.36Å; F401-K437 HydrophobicContact CD2-CD 3.74Å; F401-K437 HydrophobicContact CD2-CG 3.06Å; F401-K437 HydrophobicContact CE1-CG 4.45Å; F401-K437 HydrophobicContact CE2-CB 4.42Å; F401-K437 HydrophobicContact CE2-CD 4.33Å; F401-K437 HydrophobicContact CE2-CG 3.38Å; F401-K437 HydrophobicContact CG-CD 4.31Å; F401-K437 HydrophobicContact CG-CG 3.52Å; F401-K437 HydrophobicContact CZ-CG 4.08Å; Y428-K437 WeakPolarHBondContact O-CA 3.38Å
438D98.5Very high97.3Very high2 Ų26.9 Ų6.91%0.0114%0.039CC..  trans-139.389.4179.3-173.1-20.3000110.3P144 Y228 Y428 V434 V440 S441 A442P144-D438 HydrophobicContact CB-CB 3.9Å; P144-D438 HydrophobicContact CG-CB 4.33Å; Y228-D438 VanDerWaalsContact CE2-OD2 3.29Å; Y228-D438 WeakPolarHBondContact CE2-OD2 3.36Å; Y228-D438 PolarHBondContact OH-OD1 2.64Å; Y228-D438 PolarHBondContact OH-OD2 3.3Å; Y428-D438 PolarHBondContact O-N 3.44Å; V434-D438 HydrophobicContact CG1-CB 4.39Å; D438-V440 PolarHBondContact O-N 2.95Å; D438-V440 WeakPolarHBondContact OD1-CB 3.23Å; D438-V440 PolarHBondContact OD1-N 3.18Å; D438-S441 WeakPolarHBondContact CB-OG 3.44Å; D438-S441 VanDerWaalsContact CG-OG 3.22Å; D438-S441 PolarHBondContact O-OG 2.66Å; D438-S441 PolarHBondContact OD1-N 3.09Å; D438-S441 PolarHBondContact OD2-OG 3.08Å; D438-A442 VanDerWaalsContact O-CB 3.27Å; D438-A442 WeakPolarHBondContact O-CB 3.16Å; D438-A442 PolarHBondContact O-N 3.39Å
439G98.4Very high97.3Very high0 Ų06.9 Ų6.90%04%0.039CC..Hα-helixtrans-68.3-18.7177.800000113.9N320 A324 D325 A443N320-G439 PolarHBondContact ND2-O 2.88Å; A324-G439 WeakPolarHBondContact O-CA 3.22Å; A324-G439 PolarHBondContact O-N 3.35Å; A324-G439 VanDerWaalsContact O-N 3.14Å; D325-G439 PolarHBondContact O-N 2.73Å; G439-A443 WeakPolarHBondContact O-CB 3.4Å; G439-A443 PolarHBondContact O-N 2.84Å
440V98.7Very high97.4Very high0 Ų07.2 Ų7.20%04%0.041CC..Hα-helixtrans-76.1-52177.5175.20000109.9P142 Y228 F229 F261 A265 A324 D438 A442 A443 A444P142-V440 HydrophobicContact CB-CG2 4.15Å; P142-V440 HydrophobicContact CG-CG2 4.35Å; Y228-V440 HydrophobicContact CE1-CG1 4.15Å; F229-V440 HydrophobicContact CE1-CG1 4.27Å; F261-V440 HydrophobicContact CB-CG1 3.97Å; F261-V440 HydrophobicContact CB-CG2 3.97Å; A265-V440 HydrophobicContact CB-CG1 3.83Å; A324-V440 HydrophobicContact CB-CG2 4Å; D438-V440 PolarHBondContact O-N 2.95Å; D438-V440 WeakPolarHBondContact OD1-CB 3.23Å; D438-V440 PolarHBondContact OD1-N 3.18Å; V440-A442 VanDerWaalsContact C-N 3.35Å; V440-A443 PolarHBondContact O-N 3.46Å; V440-A444 PolarHBondContact O-N 3.18Å
441S98.6Very high97.5Very high0 Ų07.2 Ų7.20%04%0.041CC..Hα-helixtrans-64.3-41.3176.375.20000111.5Y228 D438 A443 A444 I445Y228-S441 PolarHBondContact OH-N 3.01Å; D438-S441 WeakPolarHBondContact CB-OG 3.44Å; D438-S441 VanDerWaalsContact CG-OG 3.22Å; D438-S441 PolarHBondContact O-OG 2.66Å; D438-S441 PolarHBondContact OD1-N 3.09Å; D438-S441 PolarHBondContact OD2-OG 3.08Å; S441-A443 VanDerWaalsContact C-N 3.25Å; S441-A443 PolarHBondContact O-N 2.75Å; S441-A444 PolarHBondContact O-N 2.9Å; S441-I445 WeakPolarHBondContact O-CG1 3.39Å; S441-I445 PolarHBondContact O-N 3.28Å
442A98.7Very high97.8Very high0 Ų08.2 Ų8.20%05%0.045CC..Hα-helixtrans-60.7-35.6177.800000111.8L327 Y428 D438 V440 A446L327-A442 HydrophobicContact CB-CB 4.39Å; L327-A442 HydrophobicContact CD2-CB 3.74Å; Y428-A442 HydrophobicContact CD2-CB 4.33Å; D438-A442 VanDerWaalsContact O-CB 3.27Å; D438-A442 WeakPolarHBondContact O-CB 3.16Å; D438-A442 PolarHBondContact O-N 3.39Å; V440-A442 VanDerWaalsContact C-N 3.35Å; A442-A446 VanDerWaalsContact O-CB 3.23Å; A442-A446 WeakPolarHBondContact O-CB 3.41Å; A442-A446 PolarHBondContact O-N 3Å
443A98.8Very high98.2Very high0 Ų05 Ų50%03%0.027CC..Hα-helixtrans-65.8-43.7178.400000112.2V262 F266 L318 L327 G439 V440 S441 A446 G447V262-A443 HydrophobicContact CG1-CB 4.13Å; V262-A443 HydrophobicContact CG2-CB 4.12Å; F266-A443 HydrophobicContact CE2-CB 4.26Å; F266-A443 WeakPolarHBondContact CE2-O 3.33Å; L318-A443 HydrophobicContact CD1-CB 4.2Å; L327-A443 HydrophobicContact CD1-CB 4.06Å; L327-A443 HydrophobicContact CD2-CB 4.45Å; G439-A443 WeakPolarHBondContact O-CB 3.4Å; G439-A443 PolarHBondContact O-N 2.84Å; V440-A443 PolarHBondContact O-N 3.46Å; S441-A443 VanDerWaalsContact C-N 3.25Å; S441-A443 PolarHBondContact O-N 2.75Å; A443-A446 PolarHBondContact O-N 2.69Å; A443-G447 PolarHBondContact O-N 2.99Å
444A98.7Very high98.4Very high0 Ų05 Ų50%03%0.03CC..Hα-helixtrans-67.9-41.5177.400000112.1A265 F266 F269 L271 V440 S441 A446 G447 E448A265-A444 HydrophobicContact CB-CB 3.77Å; F266-A444 HydrophobicContact CD2-CB 4.42Å; F269-A444 HydrophobicContact CD1-CB 4.06Å; F269-A444 HydrophobicContact CD2-CB 4.1Å; F269-A444 HydrophobicContact CE1-CB 4.23Å; F269-A444 HydrophobicContact CE2-CB 4.28Å; F269-A444 HydrophobicContact CG-CB 4.01Å; F269-A444 HydrophobicContact CZ-CB 4.35Å; L271-A444 WeakPolarHBondContact CD1-O 3.04Å; V440-A444 PolarHBondContact O-N 3.18Å; S441-A444 PolarHBondContact O-N 2.9Å; A444-A446 VanDerWaalsContact C-N 3.34Å; A444-A446 PolarHBondContact O-N 3.29Å; A444-G447 PolarHBondContact O-N 2.82Å; A444-G447 VanDerWaalsContact O-N 3.14Å; A444-E448 PolarHBondContact O-N 3.37Å
445I98.8Very high98.4Very high1 Ų18.5 Ų8.51%0.0055%0.051CC..Hα-helixtrans-63.6-41.3176-70.1168.2000110.8H235 F269 L350 M354 C430 S441 G447 E448 M449H235-I445 HydrophobicContact CB-CD1 4.22Å; F269-I445 HydrophobicContact CE1-CG1 3.73Å; F269-I445 HydrophobicContact CZ-CG1 3.85Å; L350-I445 HydrophobicContact CD2-CG2 4.29Å; M354-I445 HydrophobicContact SD-CD1 4.37Å; M354-I445 HydrophobicContact SD-CG2 4.03Å; C430-I445 HydrophobicContact CB-CD1 3.31Å; S441-I445 WeakPolarHBondContact O-CG1 3.39Å; S441-I445 PolarHBondContact O-N 3.28Å; I445-G447 VanDerWaalsContact C-N 3.35Å; I445-E448 PolarHBondContact O-N 2.92Å; I445-M449 PolarHBondContact O-N 2.79Å
446A98.8Very high98.4Very high0 Ų013.7 Ų13.70%07%0.074CC..Hα-helixtrans-62.6-41.4172.100000111.8L318 L327 I329 L350 A442 A443 A444 E448 M449 I450L318-A446 HydrophobicContact CD2-CB 4.5Å; L327-A446 HydrophobicContact CD2-CB 4.36Å; I329-A446 HydrophobicContact CD1-CB 3.62Å; L350-A446 HydrophobicContact CD2-CB 4.45Å; A442-A446 VanDerWaalsContact O-CB 3.23Å; A442-A446 WeakPolarHBondContact O-CB 3.41Å; A442-A446 PolarHBondContact O-N 3Å; A443-A446 PolarHBondContact O-N 2.69Å; A444-A446 VanDerWaalsContact C-N 3.34Å; A444-A446 PolarHBondContact O-N 3.29Å; A446-E448 VanDerWaalsContact C-N 3.34Å; A446-E448 PolarHBondContact O-N 3.06Å; A446-M449 PolarHBondContact O-N 2.89Å; A446-I450 WeakPolarHBondContact O-CB 3.18Å; A446-I450 VanDerWaalsContact O-CD1 3.26Å; A446-I450 WeakPolarHBondContact O-CD1 3.34Å; A446-I450 WeakPolarHBondContact O-CG1 3.46Å; A446-I450 PolarHBondContact O-N 3.42Å
447G98.7Very high98.4Very high0 Ų020.8 Ų20.80%011%0.111CC..Hα-helixtrans-59.9-40.1175.500000113.5A443 A444 I445 S451A443-G447 PolarHBondContact O-N 2.99Å; A444-G447 PolarHBondContact O-N 2.82Å; A444-G447 VanDerWaalsContact O-N 3.14Å; I445-G447 VanDerWaalsContact C-N 3.35Å; G447-S451 WeakPolarHBondContact O-CB 3.32Å; G447-S451 PolarHBondContact O-N 2.97Å; G447-S451 PolarHBondContact O-OG 2.87Å
448E98.8Very high98.4Very high0 Ų023.8 Ų23.80%013%0.125CC..Hα-helixtrans-66.7-47.2173.1-179.5171.488.800111.5C236 H237 H238 N242 F269 W353 A444 I445 A446 I450 S451 Y452C236-E448 PolarHBondContact SG-OE2 3.38Å; H237-E448 IonicContact CD2-OE1 3.4Å; H237-E448 PolarHBondContact N-OE1 3.07Å; H237-E448 PolarHBondContact N-OE2 2.96Å; H237-E448 VanDerWaalsContact N-OE2 3.11Å; H238-E448 HydrophobicContact CB-CG 4.13Å; H238-E448 PolarHBondContact N-OE2 3.37Å; N242-E448 PolarHBondContact ND2-OE2 2.79Å; N242-E448 WeakPolarHBondContact OD1-CG 3.45Å; F269-E448 HydrophobicContact CD1-CB 4.17Å; W353-E448 HydrophobicContact CZ2-CG 3.77Å; A444-E448 PolarHBondContact O-N 3.37Å; I445-E448 PolarHBondContact O-N 2.92Å; A446-E448 VanDerWaalsContact C-N 3.34Å; A446-E448 PolarHBondContact O-N 3.06Å; E448-I450 VanDerWaalsContact C-N 3.32Å; E448-I450 PolarHBondContact O-N 3.47Å; E448-S451 PolarHBondContact O-N 3.17Å; E448-S451 VanDerWaalsContact O-N 3.16Å; E448-Y452 WeakPolarHBondContact O-CB 3.32Å; E448-Y452 PolarHBondContact O-N 3.01Å
449M98.8Very high98.3Very high1 Ų125.4 Ų25.41%0.00514%0.136CC..Hα-helixtrans-56.2-45.8175.5179.2-176.154.500111.7L349 L350 W352 W353 I445 A446 S451 Y452 L453 L460L349-M449 HydrophobicContact CB-CE 4.23Å; L349-M449 HydrophobicContact CB-SD 4.2Å; L350-M449 HydrophobicContact CD2-CE 4.39Å; W352-M449 HydrophobicContact CE3-SD 4.36Å; W352-M449 HydrophobicContact CZ3-CG 4.19Å; W352-M449 HydrophobicContact CZ3-SD 4.26Å; W353-M449 HydrophobicContact CB-CB 4.46Å; W353-M449 HydrophobicContact CB-CG 4.14Å; W353-M449 HydrophobicContact CB-SD 3.75Å; W353-M449 HydrophobicContact CD2-CB 3.61Å; W353-M449 HydrophobicContact CD2-CG 3.77Å; W353-M449 HydrophobicContact CE3-CB 4.05Å; W353-M449 HydrophobicContact CE3-CG 3.82Å; W353-M449 HydrophobicContact CG-CB 3.79Å; W353-M449 HydrophobicContact CG-CG 3.92Å; W353-M449 HydrophobicContact CG-SD 4.13Å; W353-M449 HydrophobicContact CZ2-CB 4.45Å; I445-M449 PolarHBondContact O-N 2.79Å; A446-M449 PolarHBondContact O-N 2.89Å; M449-S451 VanDerWaalsContact C-N 3.35Å; M449-S451 PolarHBondContact O-N 3.39Å; M449-Y452 PolarHBondContact O-N 2.89Å; M449-L453 HydrophobicContact CG-CD1 4.05Å; M449-L453 HydrophobicContact CG-CG 4.44Å; M449-L453 WeakPolarHBondContact O-CB 3.49Å; M449-L453 VanDerWaalsContact O-CG 3.28Å; M449-L453 WeakPolarHBondContact O-CG 3.19Å; M449-L453 PolarHBondContact O-N 3.43Å; M449-L460 HydrophobicContact CE-CD2 3.6Å; M449-L460 HydrophobicContact SD-CD2 4.42Å
450I98.8Very high98.3Very high10 Ų1025.6 Ų25.65%0.05114%0.137CC..Hα-helixtrans-60.8-45.7177.9-70.9158.1000110.5V247 I249 V316 L318 A446 E448 L453 A454 L460V247-I450 HydrophobicContact CB-CG2 4.33Å; V247-I450 HydrophobicContact CG1-CG2 3.63Å; I249-I450 HydrophobicContact CD1-CD1 4.12Å; I249-I450 HydrophobicContact CD1-CG2 4.26Å; V316-I450 HydrophobicContact CB-CD1 4.35Å; V316-I450 HydrophobicContact CG1-CD1 3.71Å; V316-I450 HydrophobicContact CG2-CD1 4.34Å; V316-I450 HydrophobicContact CG2-CG2 4.32Å; L318-I450 HydrophobicContact CD2-CD1 4.5Å; A446-I450 WeakPolarHBondContact O-CB 3.18Å; A446-I450 VanDerWaalsContact O-CD1 3.26Å; A446-I450 WeakPolarHBondContact O-CD1 3.34Å; A446-I450 WeakPolarHBondContact O-CG1 3.46Å; A446-I450 PolarHBondContact O-N 3.42Å; E448-I450 VanDerWaalsContact C-N 3.32Å; E448-I450 PolarHBondContact O-N 3.47Å; I450-L453 PolarHBondContact O-N 3.2Å; I450-A454 PolarHBondContact O-N 2.85Å; I450-L460 HydrophobicContact CD1-CD1 4.36Å; I450-L460 HydrophobicContact CG1-CD1 4.07Å; I450-L460 HydrophobicContact CG1-CD2 4.01Å; I450-L460 HydrophobicContact CG1-CG 4.26Å
451S98.6Very high98.3Very high3 Ų326 Ų262%0.02114%0.14CC..Hα-helixtrans-63.6-41.6178.4-61.70000111.7S245 L271 G447 E448 M449 A454 T455S245-S451 WeakPolarHBondContact CB-OG 3.24Å; S245-S451 VanDerWaalsContact OG-CB 3.3Å; S245-S451 WeakPolarHBondContact OG-CB 3.43Å; S245-S451 PolarHBondContact OG-OG 2.86Å; L271-S451 WeakPolarHBondContact CD2-OG 3.27Å; G447-S451 WeakPolarHBondContact O-CB 3.32Å; G447-S451 PolarHBondContact O-N 2.97Å; G447-S451 PolarHBondContact O-OG 2.87Å; E448-S451 PolarHBondContact O-N 3.17Å; E448-S451 VanDerWaalsContact O-N 3.16Å; M449-S451 VanDerWaalsContact C-N 3.35Å; M449-S451 PolarHBondContact O-N 3.39Å; S451-A454 PolarHBondContact O-N 2.9Å; S451-T455 WeakPolarHBondContact O-CG2 3.29Å; S451-T455 PolarHBondContact O-N 3.11Å
452Y98.6Very high98.3Very high24 Ų2430.2 Ų30.29%0.09416%0.16CC..Hα-helixtrans-60.3-49.9173.7176.6-85.6000111.8H238 I241 W353 H356 E448 M449 A454 T455 K456H238-Y452 AromaticContact CE1-CD2 3.79Å; H238-Y452 AromaticContact CE1-CE2 3.73Å; H238-Y452 AromaticContact ND1-CD2 3.9Å; H238-Y452 AromaticContact NE2-CD2 3.89Å; I241-Y452 HydrophobicContact CD1-CD2 3.93Å; W353-Y452 VanDerWaalsContact CH2-CB 3.46Å; W353-Y452 HydrophobicContact CH2-CD1 4.08Å; W353-Y452 AromaticContact CH2-CD2 3.8Å; W353-Y452 HydrophobicContact CH2-CD2 3.8Å; W353-Y452 AromaticContact CH2-CG 3.52Å; W353-Y452 HydrophobicContact CH2-CG 3.52Å; W353-Y452 AromaticContact CZ3-CD1 3.54Å; W353-Y452 HydrophobicContact CZ3-CD1 3.54Å; W353-Y452 HydrophobicContact CZ3-CD2 4.02Å; W353-Y452 HydrophobicContact CZ3-CE1 4.13Å; W353-Y452 AromaticContact CZ3-CG 3.5Å; W353-Y452 HydrophobicContact CZ3-CG 3.5Å; W353-Y452 VanDerWaalsContact CZ3-CG 3.5Å; H356-Y452 AromaticContact NE2-CE1 3.92Å; H356-Y452 AromaticContact NE2-CE2 3.98Å; H356-Y452 AromaticContact NE2-CZ 3.38Å; H356-Y452 PolarHBondContact NE2-OH 3.4Å; E448-Y452 WeakPolarHBondContact O-CB 3.32Å; E448-Y452 PolarHBondContact O-N 3.01Å; M449-Y452 PolarHBondContact O-N 2.89Å; Y452-A454 VanDerWaalsContact C-N 3.26Å; Y452-A454 PolarHBondContact O-N 2.98Å; Y452-T455 WeakPolarHBondContact O-CB 3.35Å; Y452-T455 PolarHBondContact O-N 3.39Å; Y452-T455 PolarHBondContact O-OG1 3.43Å; Y452-K456 HydrophobicContact CE1-CG 4.14Å; Y452-K456 WeakPolarHBondContact OH-CE 3.37Å
453L98.5Very high98.3Very high3 Ų330.7 Ų30.72%0.01616%0.162CC..Hα-helixtrans-62.8-33.7-179.1-70.6174.7000112.3W352 M449 I450 T455 K456 N457 K458 L460 Q463W352-L453 HydrophobicContact CH2-CD2 3.98Å; W352-L453 HydrophobicContact CZ3-CD2 4.26Å; M449-L453 HydrophobicContact CG-CD1 4.05Å; M449-L453 HydrophobicContact CG-CG 4.44Å; M449-L453 WeakPolarHBondContact O-CB 3.49Å; M449-L453 VanDerWaalsContact O-CG 3.28Å; M449-L453 WeakPolarHBondContact O-CG 3.19Å; M449-L453 PolarHBondContact O-N 3.43Å; I450-L453 PolarHBondContact O-N 3.2Å; L453-T455 VanDerWaalsContact C-N 3.29Å; L453-T455 PolarHBondContact O-N 3Å; L453-K456 CarbonylContact O-C 3.54Å; L453-K456 WeakPolarHBondContact O-CA 3.03Å; L453-K456 WeakPolarHBondContact O-CB 3.49Å; L453-K456 PolarHBondContact O-N 2.95Å; L453-N457 PolarHBondContact O-N 3.3Å; L453-K458 CarbonylContact C-O 3.56Å; L453-K458 HydrophobicContact CB-CB 4.45Å; L453-K458 WeakPolarHBondContact CB-O 3.32Å; L453-K458 HydrophobicContact CD2-CB 4.3Å; L453-K458 PolarHBondContact O-N 3.49Å; L453-L460 HydrophobicContact CD1-CD2 3.89Å; L453-Q463 HydrophobicContact CD1-CB 3.84Å; L453-Q463 HydrophobicContact CD1-CG 4.09Å; L453-Q463 HydrophobicContact CD2-CB 3.95Å; L453-Q463 HydrophobicContact CD2-CG 3.81Å
454A97.8Very high98.2Very high38 Ų3830.8 Ų30.831%0.31416%0.162SC..Hα-helixtrans-60.7-36.8173.300000112.5V247 I450 S451 Y452 K456 N457V247-A454 HydrophobicContact CG2-CB 3.37Å; I450-A454 PolarHBondContact O-N 2.85Å; S451-A454 PolarHBondContact O-N 2.9Å; Y452-A454 VanDerWaalsContact C-N 3.26Å; Y452-A454 PolarHBondContact O-N 2.98Å; A454-K456 PolarHBondContact O-N 2.75Å; A454-K456 VanDerWaalsContact O-N 3.16Å; A454-N457 PolarHBondContact O-N 2.82Å
455T97.9Very high98.2Very high75 Ų7533.2 Ų33.246%0.4618%0.177SC..Hα-helixtrans-63.9-19.9173.475.80000113.3I241 S451 Y452 L453I241-T455 HydrophobicContact CD1-CG2 4.21Å; I241-T455 HydrophobicContact CG1-CG2 4.39Å; I241-T455 HydrophobicContact CG2-CG2 3.56Å; S451-T455 WeakPolarHBondContact O-CG2 3.29Å; S451-T455 PolarHBondContact O-N 3.11Å; Y452-T455 WeakPolarHBondContact O-CB 3.35Å; Y452-T455 PolarHBondContact O-N 3.39Å; Y452-T455 PolarHBondContact O-OG1 3.43Å; L453-T455 VanDerWaalsContact C-N 3.29Å; L453-T455 PolarHBondContact O-N 3Å
456K97.5Very high98.1Very high116 Ų11635 Ų3550%0.50419%0.188SC..THydrogen-bonded Turntrans-98.14.1176.4-52.9-59.5-176.4178.30112.6Y452 L453 A454 K458Y452-K456 HydrophobicContact CE1-CG 4.14Å; Y452-K456 WeakPolarHBondContact OH-CE 3.37Å; L453-K456 CarbonylContact O-C 3.54Å; L453-K456 WeakPolarHBondContact O-CA 3.03Å; L453-K456 WeakPolarHBondContact O-CB 3.49Å; L453-K456 PolarHBondContact O-N 2.95Å; A454-K456 PolarHBondContact O-N 2.75Å; A454-K456 VanDerWaalsContact O-N 3.16Å; K456-K458 HydrophobicContact CB-CG 4.35Å; K456-K458 PolarHBondContact O-N 2.92Å
457N96.6Very high98.1Very high149 Ų14935.1 Ų35.180%0.79719%0.189SC*.THydrogen-bonded Turntrans51.936.5-171.2-58.3-64.6000112.9L453 A454L453-N457 PolarHBondContact O-N 3.3Å; A454-N457 PolarHBondContact O-N 2.82Å
458K97.1Very high98.1Very high78 Ų7835.8 Ų35.834%0.33919%0.192SC..  trans-112.2140.3178-75.4-166.7176.5-168.70111.2L453 K456 T466L453-K458 CarbonylContact C-O 3.56Å; L453-K458 HydrophobicContact CB-CB 4.45Å; L453-K458 WeakPolarHBondContact CB-O 3.32Å; L453-K458 HydrophobicContact CD2-CB 4.3Å; L453-K458 PolarHBondContact O-N 3.49Å; K456-K458 HydrophobicContact CB-CG 4.35Å; K456-K458 PolarHBondContact O-N 2.92Å; K458-T466 PolarHBondContact NZ-OG1 3.3Å; K458-T466 VanDerWaalsContact NZ-OG1 3.12Å
459S97.8Very high98Very high35 Ų3541 Ų4125%0.24522%0.216CC..  trans-86.4165.8168.6103.80000111.2E331 S461 Q462 Q463E331-S459 WeakPolarHBondContact OE1-CA 3.14Å; E331-S459 WeakPolarHBondContact OE1-CB 3.42Å; E331-S459 PolarHBondContact OE1-OG 2.65Å; E331-S459 PolarHBondContact OE2-OG 3.46Å; S459-S461 PolarHBondContact OG-N 3.08Å; S459-Q462 PolarHBondContact O-N 3.18Å; S459-Q462 PolarHBondContact OG-N 2.87Å; S459-Q463 PolarHBondContact O-N 3.34Å
460L98.5Very high97.9Very high4 Ų444.4 Ų44.42%0.02123%0.232CC..Hα-helixtrans-60.5-44.6171.8-68171.2000111.1V316 I329 E331 F341 L349 M449 I450 L453 Q462 Q463 L464V316-L460 HydrophobicContact CG1-CD1 4.38Å; V316-L460 HydrophobicContact CG2-CD1 4.36Å; I329-L460 HydrophobicContact CG2-CD1 3.84Å; E331-L460 WeakPolarHBondContact OE1-CB 3.4Å; E331-L460 PolarHBondContact OE1-N 3.29Å; F341-L460 HydrophobicContact CE2-CB 3.98Å; F341-L460 HydrophobicContact CE2-CD1 4.13Å; F341-L460 HydrophobicContact CZ-CB 3.65Å; L349-L460 HydrophobicContact CD1-CB 4.35Å; L349-L460 HydrophobicContact CD1-CD2 4.4Å; M449-L460 HydrophobicContact CE-CD2 3.6Å; M449-L460 HydrophobicContact SD-CD2 4.42Å; I450-L460 HydrophobicContact CD1-CD1 4.36Å; I450-L460 HydrophobicContact CG1-CD1 4.07Å; I450-L460 HydrophobicContact CG1-CD2 4.01Å; I450-L460 HydrophobicContact CG1-CG 4.26Å; L453-L460 HydrophobicContact CD1-CD2 3.89Å; L460-Q462 VanDerWaalsContact C-N 3.31Å; L460-Q462 PolarHBondContact O-N 2.84Å; L460-Q463 PolarHBondContact O-N 3.23Å; L460-L464 WeakPolarHBondContact O-CB 3.24Å; L460-L464 PolarHBondContact O-N 2.98Å
461S98Very high97.8Very high9 Ų944.6 Ų44.66%0.06323%0.232CC..Hα-helixtrans-57.2-43.6174.3-82.20000112.1E331 Q333 R339 S459 L464 T465E331-S461 WeakPolarHBondContact OE2-CB 3.46Å; E331-S461 PolarHBondContact OE2-N 3.06Å; E331-S461 PolarHBondContact OE2-OG 2.55Å; E331-S461 VanDerWaalsContact OE2-OG 3.11Å; Q333-S461 PolarHBondContact NE2-OG 3.09Å; Q333-S461 VanDerWaalsContact NE2-OG 3.15Å; Q333-S461 PolarHBondContact OE1-OG 3.49Å; R339-S461 WeakPolarHBondContact CD-OG 3.44Å; R339-S461 PolarHBondContact NH1-OG 3.04Å; S459-S461 PolarHBondContact OG-N 3.08Å; S461-L464 PolarHBondContact O-N 3.23Å; S461-T465 PolarHBondContact O-N 2.8Å; S461-T465 PolarHBondContact O-OG1 3.32Å
462Q97.9Very high97.8Very high89 Ų8944.5 Ų44.542%0.41623%0.231SC..Hα-helixtrans-68.2-39.5179.2-69.2173.4-35.800112S459 L460 T465 T466S459-Q462 PolarHBondContact O-N 3.18Å; S459-Q462 PolarHBondContact OG-N 2.87Å; L460-Q462 VanDerWaalsContact C-N 3.31Å; L460-Q462 PolarHBondContact O-N 2.84Å; Q462-T465 WeakPolarHBondContact O-CB 3.33Å; Q462-T465 PolarHBondContact O-N 3.09Å; Q462-T466 PolarHBondContact O-N 3.17Å; Q462-T466 PolarHBondContact O-OG1 3.43Å; Q462-T466 VanDerWaalsContact O-OG1 3.11Å
463Q98.6Very high97.7Very high9 Ų944.3 Ų44.34%0.04223%0.231CC..Hα-helixtrans-67-40.2175.7-1765534.200111.5L349 W352 L453 S459 L460 T465 T466 I467L349-Q463 HydrophobicContact CD2-CB 4.16Å; L349-Q463 HydrophobicContact CD2-CG 4.1Å; W352-Q463 HydrophobicContact CD2-CG 4.43Å; W352-Q463 HydrophobicContact CE3-CG 4Å; W352-Q463 HydrophobicContact CH2-CG 4.05Å; W352-Q463 HydrophobicContact CZ2-CG 4.45Å; W352-Q463 VanDerWaalsContact CZ2-NE2 3.3Å; W352-Q463 HydrophobicContact CZ3-CG 3.79Å; L453-Q463 HydrophobicContact CD1-CB 3.84Å; L453-Q463 HydrophobicContact CD1-CG 4.09Å; L453-Q463 HydrophobicContact CD2-CB 3.95Å; L453-Q463 HydrophobicContact CD2-CG 3.81Å; S459-Q463 PolarHBondContact O-N 3.34Å; L460-Q463 PolarHBondContact O-N 3.23Å; Q463-T465 VanDerWaalsContact C-N 3.31Å; Q463-T465 PolarHBondContact O-N 3.41Å; Q463-T466 WeakPolarHBondContact O-CA 3.44Å; Q463-T466 WeakPolarHBondContact O-CB 3.3Å; Q463-T466 PolarHBondContact O-N 2.9Å; Q463-T466 VanDerWaalsContact O-N 3.08Å; Q463-I467 HydrophobicContact CG-CD1 4.34Å; Q463-I467 WeakPolarHBondContact O-CG1 3.44Å; Q463-I467 PolarHBondContact O-N 3.07Å
464L98.4Very high97.7Very high2 Ų245 Ų451%0.0123%0.234CC..Hα-helixtrans-60.5-41.4173.5-179.664.7000111.5F341 E345 A348 L349 L460 S461 T466 I467 F468F341-L464 HydrophobicContact CD1-CD2 4.04Å; F341-L464 HydrophobicContact CE1-CD2 3.96Å; E345-L464 HydrophobicContact CB-CD1 4.35Å; E345-L464 HydrophobicContact CB-CD2 3.8Å; E345-L464 HydrophobicContact CG-CD2 3.79Å; A348-L464 HydrophobicContact CB-CD1 3.98Å; L349-L464 HydrophobicContact CD1-CB 4.43Å; L349-L464 HydrophobicContact CD2-CB 4.11Å; L349-L464 HydrophobicContact CG-CB 4.3Å; L349-L464 HydrophobicContact CG-CD1 4.29Å; L460-L464 WeakPolarHBondContact O-CB 3.24Å; L460-L464 PolarHBondContact O-N 2.98Å; S461-L464 PolarHBondContact O-N 3.23Å; L464-T466 VanDerWaalsContact C-N 3.34Å; L464-I467 PolarHBondContact O-N 3.36Å; L464-F468 HydrophobicContact CD1-CD2 4.36Å; L464-F468 HydrophobicContact CD1-CE1 4.03Å; L464-F468 HydrophobicContact CD1-CE2 3.82Å; L464-F468 HydrophobicContact CD1-CZ 3.65Å; L464-F468 HydrophobicContact CD2-CE2 4.11Å; L464-F468 HydrophobicContact CG-CD2 4.13Å; L464-F468 HydrophobicContact CG-CE2 3.75Å; L464-F468 HydrophobicContact CG-CZ 4.11Å; L464-F468 WeakPolarHBondContact O-CG 3.35Å; L464-F468 PolarHBondContact O-N 3.18Å
465T97Very high97.6Very high52 Ų5244.4 Ų44.432%0.31923%0.225SC..Hα-helixtrans-60-43.8171.4-66.20000111.4S461 Q462 Q463 I467 F468 E469S461-T465 PolarHBondContact O-N 2.8Å; S461-T465 PolarHBondContact O-OG1 3.32Å; Q462-T465 WeakPolarHBondContact O-CB 3.33Å; Q462-T465 PolarHBondContact O-N 3.09Å; Q463-T465 VanDerWaalsContact C-N 3.31Å; Q463-T465 PolarHBondContact O-N 3.41Å; T465-I467 VanDerWaalsContact C-N 3.33Å; T465-I467 PolarHBondContact O-N 3.01Å; T465-F468 PolarHBondContact O-N 3.46Å; T465-E469 HydrophobicContact CG2-CG 4.24Å; T465-E469 WeakPolarHBondContact CG2-OE1 3.46Å; T465-E469 WeakPolarHBondContact O-CB 3.24Å; T465-E469 VanDerWaalsContact O-CG 3.32Å; T465-E469 WeakPolarHBondContact O-CG 3.45Å; T465-E469 PolarHBondContact O-N 3.02Å
466T97.9Very high97.5Very high39 Ų3942.8 Ų42.824%0.23922%0.216CC..Hα-helixtrans-58.4-44.5175.2-58.20000111.2K458 Q462 Q463 L464 F468 E469 E470K458-T466 PolarHBondContact NZ-OG1 3.3Å; K458-T466 VanDerWaalsContact NZ-OG1 3.12Å; Q462-T466 PolarHBondContact O-N 3.17Å; Q462-T466 PolarHBondContact O-OG1 3.43Å; Q462-T466 VanDerWaalsContact O-OG1 3.11Å; Q463-T466 WeakPolarHBondContact O-CA 3.44Å; Q463-T466 WeakPolarHBondContact O-CB 3.3Å; Q463-T466 PolarHBondContact O-N 2.9Å; Q463-T466 VanDerWaalsContact O-N 3.08Å; L464-T466 VanDerWaalsContact C-N 3.34Å; T466-F468 PolarHBondContact O-N 3.49Å; T466-E469 PolarHBondContact O-N 3.22Å; T466-E470 VanDerWaalsContact O-CB 3.25Å; T466-E470 WeakPolarHBondContact O-CB 3.27Å; T466-E470 PolarHBondContact O-N 3.2Å
467I98.4Very high97.4Very high1 Ų141 Ų411%0.00521%0.209CC..Hα-helixtrans-59.9-46.9176.3-66.7164.6000110.1A348 L349 W352 I382 Q463 L464 T465 E470 Y471A348-I467 HydrophobicContact CB-CG2 4.47Å; L349-I467 HydrophobicContact CD2-CD1 3.97Å; W352-I467 HydrophobicContact CB-CD1 3.48Å; W352-I467 VanDerWaalsContact CB-CD1 3.48Å; W352-I467 HydrophobicContact CB-CG1 3.98Å; W352-I467 HydrophobicContact CD2-CD1 4.11Å; W352-I467 HydrophobicContact CD2-CG1 4.42Å; W352-I467 HydrophobicContact CE3-CD1 4.41Å; W352-I467 HydrophobicContact CG-CD1 3.68Å; W352-I467 HydrophobicContact CG-CG1 3.85Å; I382-I467 HydrophobicContact CD1-CG2 4.2Å; I382-I467 HydrophobicContact CG1-CG2 4.45Å; Q463-I467 HydrophobicContact CG-CD1 4.34Å; Q463-I467 WeakPolarHBondContact O-CG1 3.44Å; Q463-I467 PolarHBondContact O-N 3.07Å; L464-I467 PolarHBondContact O-N 3.36Å; T465-I467 VanDerWaalsContact C-N 3.33Å; T465-I467 PolarHBondContact O-N 3.01Å; I467-E470 PolarHBondContact O-N 2.71Å; I467-Y471 HydrophobicContact CG2-CD2 3.87Å; I467-Y471 HydrophobicContact CG2-CE2 4.44Å; I467-Y471 WeakPolarHBondContact O-CD2 3.34Å; I467-Y471 PolarHBondContact O-N 2.9Å
468F97.8Very high97.2Very high15 Ų1536.5 Ų36.57%0.06619%0.185CC..Hα-helixtrans-69.8-33.6-179.8-70.5-24.7000114.2I382 L464 T465 T466 E470 G472 Y473 H474I382-F468 HydrophobicContact CD1-CD1 4.14Å; I382-F468 HydrophobicContact CD1-CE1 4.18Å; I382-F468 HydrophobicContact CG1-CE1 4.5Å; L464-F468 HydrophobicContact CD1-CD2 4.36Å; L464-F468 HydrophobicContact CD1-CE1 4.03Å; L464-F468 HydrophobicContact CD1-CE2 3.82Å; L464-F468 HydrophobicContact CD1-CZ 3.65Å; L464-F468 HydrophobicContact CD2-CE2 4.11Å; L464-F468 HydrophobicContact CG-CD2 4.13Å; L464-F468 HydrophobicContact CG-CE2 3.75Å; L464-F468 HydrophobicContact CG-CZ 4.11Å; L464-F468 WeakPolarHBondContact O-CG 3.35Å; L464-F468 PolarHBondContact O-N 3.18Å; T465-F468 PolarHBondContact O-N 3.46Å; T466-F468 PolarHBondContact O-N 3.49Å; F468-E470 VanDerWaalsContact C-N 3.26Å; F468-E470 PolarHBondContact O-N 3.47Å; F468-G472 WeakPolarHBondContact CA-O 3.29Å; F468-G472 WeakPolarHBondContact CD1-O 3.49Å; F468-G472 CarbonylContact O-C 3.49Å; F468-G472 WeakPolarHBondContact O-CA 3.26Å; F468-G472 PolarHBondContact O-N 3.23Å; F468-Y473 HydrophobicContact CB-CD1 3.68Å; F468-Y473 HydrophobicContact CB-CD2 3.96Å; F468-Y473 HydrophobicContact CB-CE1 3.71Å; F468-Y473 HydrophobicContact CB-CE2 3.98Å; F468-Y473 HydrophobicContact CB-CG 3.81Å; F468-Y473 AromaticContact CD2-CD1 3.67Å; F468-Y473 HydrophobicContact CD2-CD1 3.67Å; F468-Y473 AromaticContact CD2-CE1 3.82Å; F468-Y473 HydrophobicContact CD2-CE1 3.82Å; F468-Y473 HydrophobicContact CD2-CG 4.47Å; F468-Y473 AromaticContact CG-CD1 3.93Å; F468-Y473 HydrophobicContact CG-CD1 3.93Å; F468-Y473 HydrophobicContact CG-CE1 4.21Å; F468-Y473 HydrophobicContact CG-CG 4.31Å; F468-H474 HydrophobicContact CE1-CB 3.97Å; F468-H474 HydrophobicContact CZ-CB 4.49Å
469E96.7Very high97.1Very high110 Ų11034.4 Ų34.451%0.51418%0.18SC..Hα-helixtrans-64.5-37171.8-73.6171.617000111.2T465 T466 Y473T465-E469 HydrophobicContact CG2-CG 4.24Å; T465-E469 WeakPolarHBondContact CG2-OE1 3.46Å; T465-E469 WeakPolarHBondContact O-CB 3.24Å; T465-E469 VanDerWaalsContact O-CG 3.32Å; T465-E469 WeakPolarHBondContact O-CG 3.45Å; T465-E469 PolarHBondContact O-N 3.02Å; T466-E469 PolarHBondContact O-N 3.22Å; E469-Y473 HydrophobicContact CG-CE2 4.41Å
470E97.5Very high96.9Very high71 Ų7134.9 Ų34.933%0.33218%0.177SC..Hα-helixtrans-78.6-44-176-175.3165.4-159.500113.8K389 T466 I467 F468K389-E470 VanDerWaalsContact NZ-CD 3.32Å; K389-E470 IonicContact NZ-OE1 2.79Å; K389-E470 PolarHBondContact NZ-OE1 2.81Å; T466-E470 VanDerWaalsContact O-CB 3.25Å; T466-E470 WeakPolarHBondContact O-CB 3.27Å; T466-E470 PolarHBondContact O-N 3.2Å; I467-E470 PolarHBondContact O-N 2.71Å; F468-E470 VanDerWaalsContact C-N 3.26Å; F468-E470 PolarHBondContact O-N 3.47Å
471Y97.6Very high96.8Very high15 Ų1535.6 Ų35.66%0.05918%0.18CC..Hα-helixtrans-109.3-8.6-172.2-57.4-75.1000113.5V386 K389 E390 I467V386-Y471 HydrophobicContact CB-CD1 4.13Å; V386-Y471 HydrophobicContact CB-CE1 4.14Å; V386-Y471 HydrophobicContact CB-CG 4.47Å; V386-Y471 HydrophobicContact CG1-CD1 4.33Å; V386-Y471 HydrophobicContact CG1-CE1 3.83Å; V386-Y471 HydrophobicContact CG2-CD1 3.91Å; V386-Y471 HydrophobicContact CG2-CD2 3.86Å; V386-Y471 HydrophobicContact CG2-CE1 4.15Å; V386-Y471 HydrophobicContact CG2-CE2 4.16Å; V386-Y471 HydrophobicContact CG2-CG 3.75Å; K389-Y471 HydrophobicContact CB-CD1 4.13Å; K389-Y471 HydrophobicContact CB-CE1 4.08Å; K389-Y471 HydrophobicContact CD-CD1 3.91Å; K389-Y471 HydrophobicContact CD-CE1 3.76Å; K389-Y471 HydrophobicContact CG-CE1 4.29Å; E390-Y471 HydrophobicContact CG-CE1 3.98Å; E390-Y471 WeakPolarHBondContact OE1-CE1 3.42Å; E390-Y471 PolarHBondContact OE1-OH 3.06Å; I467-Y471 HydrophobicContact CG2-CD2 3.87Å; I467-Y471 HydrophobicContact CG2-CE2 4.44Å; I467-Y471 WeakPolarHBondContact O-CD2 3.34Å; I467-Y471 PolarHBondContact O-N 2.9Å
472G97.1Very high96.6Very high0 Ų036.5 Ų36.50%018%0.184CC..  trans105.6153.1-174.300000112.3F468 H474 A574F468-G472 WeakPolarHBondContact CA-O 3.29Å; F468-G472 WeakPolarHBondContact CD1-O 3.49Å; F468-G472 CarbonylContact O-C 3.49Å; F468-G472 WeakPolarHBondContact O-CA 3.26Å; F468-G472 PolarHBondContact O-N 3.23Å; G472-H474 PolarHBondContact O-CD2 3.08Å; G472-A574 CarbonylContact C-O 3.53Å; G472-A574 WeakPolarHBondContact CA-O 3.42Å
473Y97.6Very high96.4Very high21 Ų2132.7 Ų32.78%0.08217%0.167CC..  trans-80.1129.3179-83.4-96.2000111F468 E469 A574 N578 V581 L584F468-Y473 HydrophobicContact CB-CD1 3.68Å; F468-Y473 HydrophobicContact CB-CD2 3.96Å; F468-Y473 HydrophobicContact CB-CE1 3.71Å; F468-Y473 HydrophobicContact CB-CE2 3.98Å; F468-Y473 HydrophobicContact CB-CG 3.81Å; F468-Y473 AromaticContact CD2-CD1 3.67Å; F468-Y473 HydrophobicContact CD2-CD1 3.67Å; F468-Y473 AromaticContact CD2-CE1 3.82Å; F468-Y473 HydrophobicContact CD2-CE1 3.82Å; F468-Y473 HydrophobicContact CD2-CG 4.47Å; F468-Y473 AromaticContact CG-CD1 3.93Å; F468-Y473 HydrophobicContact CG-CD1 3.93Å; F468-Y473 HydrophobicContact CG-CE1 4.21Å; F468-Y473 HydrophobicContact CG-CG 4.31Å; E469-Y473 HydrophobicContact CG-CE2 4.41Å; Y473-A574 PolarHBondContact N-O 3.31Å; Y473-A574 PolarHBondContact O-N 3.23Å; Y473-N578 WeakPolarHBondContact CD2-O 3.22Å; Y473-V581 HydrophobicContact CD1-CG2 3.8Å; Y473-V581 HydrophobicContact CE1-CG2 3.33Å; Y473-L584 HydrophobicContact CD2-CD1 4.47Å; Y473-L584 HydrophobicContact CG-CD1 4.05Å
474H97.5Very high96Very high17 Ų1738.5 Ų38.58%0.07919%0.194CC..EExtended strand (participates in β ladder)trans-116.6103.3176.4-76.6-99.4000109.4I382 F468 G472 E571 C573I382-H474 HydrophobicContact CB-CB 4.3Å; I382-H474 WeakPolarHBondContact CD1-CD2 3.49Å; I382-H474 PolarHBondContact N-CE1 2.94Å; I382-H474 PolarHBondContact N-ND1 3.47Å; F468-H474 HydrophobicContact CE1-CB 3.97Å; F468-H474 HydrophobicContact CZ-CB 4.49Å; G472-H474 PolarHBondContact O-CD2 3.08Å; H474-E571 WeakPolarHBondContact CB-OE1 3.44Å; H474-E571 IonicContact CE1-OE1 3.48Å; H474-E571 IonicContact CG-OE1 3.74Å; H474-E571 IonicContact ND1-OE1 3.68Å; H474-E571 PolarHBondContact ND1-OE1 3.04Å; H474-C573 VanDerWaalsContact CE1-SG 3.59Å
475I96.1Very high95.7Very high26 Ų2642.4 Ų42.413%0.13321%0.214CC..EExtended strand (participates in β ladder)trans-113.3127.5-176.4-49.4-175.2000108.3E571 L572 V581 L584 K585 L588I475-E571 CarbonylContact O-C 3.58Å; I475-E571 VanDerWaalsContact O-CA 3.24Å; I475-E571 WeakPolarHBondContact O-CA 3.39Å; I475-L572 PolarHBondContact N-O 2.88Å; I475-L572 VanDerWaalsContact N-O 3.11Å; I475-L572 PolarHBondContact O-N 3.39Å; I475-V581 HydrophobicContact CD1-CG1 4.21Å; I475-L584 HydrophobicContact CD1-CB 3.55Å; I475-L584 HydrophobicContact CD1-CD1 4.31Å; I475-K585 HydrophobicContact CD1-CG 4Å; I475-K585 HydrophobicContact CG2-CG 4.12Å; I475-L588 HydrophobicContact CB-CD2 4.15Å; I475-L588 HydrophobicContact CG2-CD2 3.78Å; I475-L588 VanDerWaalsContact O-CD2 3.27Å; I475-L588 WeakPolarHBondContact O-CD2 3.46Å
476S95.9Very high95.3Very high40 Ų4045.6 Ų45.628%0.2823%0.226SC..EExtended strand (participates in β ladder)trans-118.8146.8-177.560.50000113.7N344 T570N344-S476 PolarHBondContact ND2-OG 3.02Å; S476-T570 CarbonylContact C-O 3.55Å; S476-T570 WeakPolarHBondContact CA-O 3.36Å; S476-T570 WeakPolarHBondContact CB-O 3.37Å
477K95Very high95Very high78 Ų7848.6 Ų48.634%0.33924%0.237SC..EExtended strand (participates in β ladder)trans-138.4110.8172.1-170.5174.2-176.8-178.60109.4T570 L588 D589 V592K477-T570 PolarHBondContact N-O 3.4Å; K477-T570 PolarHBondContact O-N 3.43Å; K477-T570 VanDerWaalsContact O-N 3.17Å; K477-T570 PolarHBondContact O-OG1 2.92Å; K477-L588 HydrophobicContact CB-CD2 3.98Å; K477-L588 HydrophobicContact CB-CG 4.37Å; K477-D589 WeakPolarHBondContact CD-OD1 3.45Å; K477-D589 IonicContact NZ-OD1 2.65Å; K477-D589 PolarHBondContact NZ-OD1 2.82Å; K477-V592 HydrophobicContact CB-CG2 4.17Å; K477-V592 HydrophobicContact CD-CB 4.39Å; K477-V592 HydrophobicContact CD-CG1 4.39Å; K477-V592 HydrophobicContact CD-CG2 3.9Å; K477-V592 HydrophobicContact CG-CG2 4.32Å
478N93.6Very high94.8Very high55 Ų5550 Ų5029%0.29425%0.245SC..EExtended strand (participates in β ladder)trans-114.7139.5-174.8-58.2-19.3000109.5E424 Y568 Y569 T570E424-N478 PolarHBondContact OE2-ND2 2.97Å; E424-N478 VanDerWaalsContact OE2-ND2 3.14Å; N478-Y568 WeakPolarHBondContact CA-O 3.43Å; N478-Y569 HydrophobicContact CB-CD1 4.03Å; N478-Y569 HydrophobicContact CB-CE1 4.46Å; N478-Y569 VanDerWaalsContact OD1-CA 3.3Å; N478-Y569 WeakPolarHBondContact OD1-CA 3.29Å; N478-T570 PolarHBondContact OD1-N 3.31Å
479S93.6Very high94.6Very high35 Ų3549.6 Ų49.625%0.24524%0.244CC..EExtended strand (participates in β ladder)trans-158.4-173172.7-158.90000111.4Y568S479-Y568 VanDerWaalsContact CB-OH 3.26Å; S479-Y568 WeakPolarHBondContact CB-OH 3.2Å; S479-Y568 PolarHBondContact N-O 2.99Å; S479-Y568 PolarHBondContact O-N 3.33Å; S479-Y568 VanDerWaalsContact O-O 3.13Å
480Y94.3Very high94.4Very high45 Ų4549.3 Ų49.318%0.17624%0.238CC..EExtended strand (participates in β ladder)trans-150.6159.9178.163.4-96.8000112.3I482 K565 I566 K610Y480-I482 HydrophobicContact CD2-CG1 4.3Å; Y480-I482 HydrophobicContact CE2-CD1 4.43Å; Y480-I482 HydrophobicContact CE2-CG1 4.05Å; Y480-K565 HydrophobicContact CD2-CB 4.47Å; Y480-K565 HydrophobicContact CD2-CD 3.77Å; Y480-K565 HydrophobicContact CD2-CG 3.95Å; Y480-K565 HydrophobicContact CE2-CD 3.88Å; Y480-K565 HydrophobicContact CE2-CG 4.32Å; Y480-K565 HydrophobicContact CG-CD 4.15Å; Y480-I566 CarbonylContact C-O 3.59Å; Y480-I566 VanDerWaalsContact CA-O 3.24Å; Y480-I566 WeakPolarHBondContact CA-O 3.34Å; Y480-I566 WeakPolarHBondContact CB-O 3.49Å; Y480-K610 HydrophobicContact CD1-CD 4.22Å; Y480-K610 HydrophobicContact CD2-CB 4.36Å; Y480-K610 HydrophobicContact CE1-CB 4.33Å; Y480-K610 HydrophobicContact CE1-CD 3.56Å; Y480-K610 HydrophobicContact CE1-CG 3.9Å; Y480-K610 HydrophobicContact CE2-CB 3.95Å; Y480-K610 HydrophobicContact CE2-CG 4.07Å; Y480-K610 PolarHBondContact O-N 3.45Å
481F95.7Very high94.3Very high18 Ų1848.5 Ų48.58%0.07924%0.24CC..EExtended strand (participates in β ladder)trans-110.3150.7164.2-66.8-76.4000110.4K565 I566 Y568 V596 F600 P602 L607 Q608F481-K565 CarbonylContact O-C 3.58Å; F481-K565 VanDerWaalsContact O-CA 3.23Å; F481-K565 WeakPolarHBondContact O-CA 2.98Å; F481-I566 PolarHBondContact N-O 3.18Å; F481-I566 PolarHBondContact O-N 3.18Å; F481-Y568 HydrophobicContact CD2-CE1 4.38Å; F481-Y568 HydrophobicContact CE2-CD1 4.31Å; F481-Y568 AromaticContact CE2-CE1 3.86Å; F481-Y568 HydrophobicContact CE2-CE1 3.86Å; F481-V596 HydrophobicContact CE2-CG2 4.34Å; F481-V596 HydrophobicContact CZ-CG1 3.98Å; F481-V596 HydrophobicContact CZ-CG2 4.21Å; F481-F600 HydrophobicContact CD2-CB 4.48Å; F481-F600 AromaticContact CD2-CD1 3.67Å; F481-F600 HydrophobicContact CD2-CD1 3.67Å; F481-F600 AromaticContact CD2-CE1 3.97Å; F481-F600 HydrophobicContact CD2-CE1 3.97Å; F481-F600 HydrophobicContact CD2-CG 4.02Å; F481-F600 HydrophobicContact CE2-CB 4Å; F481-F600 AromaticContact CE2-CD1 3.9Å; F481-F600 HydrophobicContact CE2-CD1 3.9Å; F481-F600 HydrophobicContact CE2-CD2 4.1Å; F481-F600 HydrophobicContact CE2-CE1 4.39Å; F481-F600 AromaticContact CE2-CG 3.74Å; F481-F600 HydrophobicContact CE2-CG 3.74Å; F481-P602 HydrophobicContact CE1-CB 4.04Å; F481-P602 HydrophobicContact CZ-CB 4.28Å; F481-P602 HydrophobicContact CZ-CG 4.48Å; F481-L607 HydrophobicContact CB-CB 3.95Å; F481-L607 HydrophobicContact CB-CD1 4.29Å; F481-L607 HydrophobicContact CD1-CB 3.88Å; F481-L607 HydrophobicContact CD2-CD1 4.13Å; F481-L607 HydrophobicContact CG-CB 3.95Å; F481-L607 HydrophobicContact CG-CD1 4.11Å; F481-Q608 CarbonylContact C-O 3.25Å; F481-Q608 VanDerWaalsContact CA-O 3.29Å; F481-Q608 WeakPolarHBondContact CA-O 3.34Å
482I94.2Very high94.2Very high29 Ų2947.8 Ų47.815%0.14924%0.238CC..EExtended strand (participates in β ladder)trans-94.7129.1169.6-58.2168.5000108.2Y480 P564 K565 Q608 P611Y480-I482 HydrophobicContact CD2-CG1 4.3Å; Y480-I482 HydrophobicContact CE2-CD1 4.43Å; Y480-I482 HydrophobicContact CE2-CG1 4.05Å; I482-P564 CarbonylContact C-O 3.58Å; I482-P564 WeakPolarHBondContact CA-O 3.47Å; I482-P564 HydrophobicContact CG2-CG 4.47Å; I482-K565 HydrophobicContact CG1-CG 4.35Å; I482-Q608 HydrophobicContact CB-CB 4.13Å; I482-Q608 PolarHBondContact N-O 3.41Å; I482-Q608 PolarHBondContact O-N 3.36Å; I482-P611 HydrophobicContact CD1-CG 4.49Å
483C93.3Very high94.2Very high8 Ų847.8 Ų47.85%0.05424%0.238CC..  trans-145.6115.5176.4-171.40000109.5I489 P564 I566 L607C483-I489 HydrophobicContact CB-CD1 4.26Å; C483-I489 HydrophobicContact CB-CG1 4.1Å; C483-P564 PolarHBondContact N-O 3.15Å; C483-P564 CarbonylContact O-C 3.51Å; C483-P564 WeakPolarHBondContact O-CB 3.42Å; C483-I566 HydrophobicContact CB-CD1 4.15Å; C483-I566 HydrophobicContact CB-CG1 4.33Å; C483-L607 HydrophobicContact CB-CD2 3.78Å
484H90.4Very high94.1Very high132 Ų13250.8 Ų50.861%0.61125%0.252SS*.  trans-88.4-14.4179-65.9-82.9000113.1P564H484-P564 VanDerWaalsContact CE1-CG 3.4Å; H484-P564 WeakPolarHBondContact CE1-CG 3.48Å
485D91.8Very high94Very high83 Ų8352.9 Ų52.944%0.44426%0.259SS..  trans-92.2108.5-176.4-170.9-26.9000110.6E487 V488 I489D485-E487 VanDerWaalsContact C-N 3.27Å; D485-E487 PolarHBondContact O-N 3.3Å; D485-E487 WeakPolarHBondContact OD1-CB 3.47Å; D485-E487 PolarHBondContact OD1-N 3.21Å; D485-V488 HydrophobicContact CB-CB 4Å; D485-V488 HydrophobicContact CB-CG2 3.8Å; D485-V488 PolarHBondContact O-N 2.86Å; D485-V488 PolarHBondContact OD1-N 3.06Å; D485-I489 WeakPolarHBondContact O-CG1 3.42Å; D485-I489 PolarHBondContact O-N 2.91Å; D485-I489 VanDerWaalsContact O-N 3.13Å
486Q89.5Confident94.1Very high119 Ų11951.6 Ų51.656%0.55625%0.253SS*.Hα-helixtrans-67.2-27.8-179.1-64.1-57.8-4500112.9I489 R490Q486-I489 PolarHBondContact O-N 3.36Å; Q486-R490 WeakPolarHBondContact O-CB 3.43Å; Q486-R490 PolarHBondContact O-N 2.87Å
487E91.9Very high94.1Very high102 Ų10250.6 Ų50.648%0.47724%0.243SC..Hα-helixtrans-72-37.2177.7-61.1-68.5113.600110.5D485 R490 S491D485-E487 VanDerWaalsContact C-N 3.27Å; D485-E487 PolarHBondContact O-N 3.3Å; D485-E487 WeakPolarHBondContact OD1-CB 3.47Å; D485-E487 PolarHBondContact OD1-N 3.21Å; E487-R490 VanDerWaalsContact CD-NH1 3.26Å; E487-R490 PolarHBondContact O-N 3.18Å; E487-R490 IonicContact OE1-CZ 3.07Å; E487-R490 IonicContact OE1-NH1 2.7Å; E487-R490 PolarHBondContact OE1-NH1 2.91Å; E487-R490 IonicContact OE1-NH2 2.61Å; E487-R490 IonicContact OE2-CZ 3.4Å; E487-R490 IonicContact OE2-NH1 3.18Å; E487-R490 PolarHBondContact OE2-NH1 3.48Å; E487-R490 VanDerWaalsContact OE2-NH1 3.15Å; E487-R490 IonicContact OE2-NH2 3.69Å; E487-R490 PolarHBondContact OE2-NH2 3.31Å; E487-S491 VanDerWaalsContact O-CB 3.29Å; E487-S491 WeakPolarHBondContact O-CB 3.46Å; E487-S491 PolarHBondContact O-N 3.2Å; E487-S491 PolarHBondContact O-OG 2.84Å
488V94.6Very high94.2Very high30 Ų3049.6 Ų49.618%0.18224%0.242CC..Hα-helixtrans-62.7-46.6171.6171.50000110.7D485 R490 S491 L492 N605 L607D485-V488 HydrophobicContact CB-CB 4Å; D485-V488 HydrophobicContact CB-CG2 3.8Å; D485-V488 PolarHBondContact O-N 2.86Å; D485-V488 PolarHBondContact OD1-N 3.06Å; V488-R490 PolarHBondContact O-N 3.21Å; V488-S491 WeakPolarHBondContact CA-OG 3.5Å; V488-S491 PolarHBondContact O-N 2.93Å; V488-S491 PolarHBondContact O-OG 3.21Å; V488-L492 WeakPolarHBondContact O-CB 3.45Å; V488-L492 PolarHBondContact O-N 3.47Å; V488-N605 HydrophobicContact CG1-CB 3.91Å; V488-N605 WeakPolarHBondContact CG1-O 3.34Å; V488-L607 HydrophobicContact CG1-CD2 4.4Å
489I93.4Very high94.3Very high7 Ų750.6 Ų50.64%0.03624%0.243CC..Hα-helixtrans-58.6-50.3176-65.9172.2000110.1C483 D485 Q486 S491 L492 F493 Q543 T559 I566C483-I489 HydrophobicContact CB-CD1 4.26Å; C483-I489 HydrophobicContact CB-CG1 4.1Å; D485-I489 WeakPolarHBondContact O-CG1 3.42Å; D485-I489 PolarHBondContact O-N 2.91Å; D485-I489 VanDerWaalsContact O-N 3.13Å; Q486-I489 PolarHBondContact O-N 3.36Å; I489-S491 PolarHBondContact O-N 3.41Å; I489-L492 PolarHBondContact O-N 3.44Å; I489-F493 HydrophobicContact CG2-CD2 4.12Å; I489-F493 HydrophobicContact CG2-CE2 4.22Å; I489-F493 WeakPolarHBondContact O-CD2 3.41Å; I489-F493 PolarHBondContact O-N 3.32Å; I489-Q543 HydrophobicContact CG2-CG 4.36Å; I489-T559 HydrophobicContact CG2-CG2 3.52Å; I489-I566 HydrophobicContact CD1-CG1 4.4Å; I489-I566 HydrophobicContact CG1-CD1 3.88Å; I489-I566 HydrophobicContact CG1-CG1 4.13Å
490R92.7Very high94.1Very high104 Ų10452.4 Ų52.439%0.39227%0.268SS..Hα-helixtrans-59-50.9-178.7-169.1-176.871.4-133.9-8111.2Q486 E487 V488 L492 F493 E494Q486-R490 WeakPolarHBondContact O-CB 3.43Å; Q486-R490 PolarHBondContact O-N 2.87Å; E487-R490 VanDerWaalsContact CD-NH1 3.26Å; E487-R490 PolarHBondContact O-N 3.18Å; E487-R490 IonicContact OE1-CZ 3.07Å; E487-R490 IonicContact OE1-NH1 2.7Å; E487-R490 PolarHBondContact OE1-NH1 2.91Å; E487-R490 IonicContact OE1-NH2 2.61Å; E487-R490 IonicContact OE2-CZ 3.4Å; E487-R490 IonicContact OE2-NH1 3.18Å; E487-R490 PolarHBondContact OE2-NH1 3.48Å; E487-R490 VanDerWaalsContact OE2-NH1 3.15Å; E487-R490 IonicContact OE2-NH2 3.69Å; E487-R490 PolarHBondContact OE2-NH2 3.31Å; V488-R490 PolarHBondContact O-N 3.21Å; R490-L492 VanDerWaalsContact C-N 3.32Å; R490-L492 PolarHBondContact O-N 3.34Å; R490-F493 PolarHBondContact O-N 2.97Å; R490-E494 WeakPolarHBondContact CD-OE1 3.46Å; R490-E494 HydrophobicContact CG-CG 4.22Å; R490-E494 WeakPolarHBondContact CG-OE1 3.29Å; R490-E494 IonicContact NE-OE1 2.85Å; R490-E494 PolarHBondContact NE-OE1 2.94Å; R490-E494 IonicContact NE-OE2 3.41Å; R490-E494 WeakPolarHBondContact O-CB 3.02Å; R490-E494 WeakPolarHBondContact O-CG 3.23Å; R490-E494 PolarHBondContact O-N 3.02Å
491S94.8Very high93.9Very high54 Ų5454 Ų5438%0.37830%0.297SS..Hα-helixtrans-63-35.9-179.359.20000113E487 V488 I489 R495E487-S491 VanDerWaalsContact O-CB 3.29Å; E487-S491 WeakPolarHBondContact O-CB 3.46Å; E487-S491 PolarHBondContact O-N 3.2Å; E487-S491 PolarHBondContact O-OG 2.84Å; V488-S491 WeakPolarHBondContact CA-OG 3.5Å; V488-S491 PolarHBondContact O-N 2.93Å; V488-S491 PolarHBondContact O-OG 3.21Å; I489-S491 PolarHBondContact O-N 3.41Å; S491-R495 WeakPolarHBondContact O-CB 3.25Å; S491-R495 PolarHBondContact O-N 3.28Å
492L95.9Very high93.8Very high1 Ų160.3 Ų60.31%0.00532%0.324CS..Hα-helixtrans-59.1-53.1174.3-176.4163.7000111V488 I489 R490 R495 L496 M557 I566 F600 L607V488-L492 WeakPolarHBondContact O-CB 3.45Å; V488-L492 PolarHBondContact O-N 3.47Å; I489-L492 PolarHBondContact O-N 3.44Å; R490-L492 VanDerWaalsContact C-N 3.32Å; R490-L492 PolarHBondContact O-N 3.34Å; L492-R495 PolarHBondContact O-N 2.68Å; L492-L496 HydrophobicContact CD2-CD1 4.04Å; L492-L496 PolarHBondContact O-N 3.3Å; L492-M557 HydrophobicContact CD2-CE 4.14Å; L492-I566 HydrophobicContact CD1-CD1 4.22Å; L492-F600 HydrophobicContact CD1-CD1 4.26Å; L492-L607 HydrophobicContact CD1-CD1 4.12Å
493F96.4Very high93.6Very high0 Ų066.8 Ų66.80%035%0.352CS..Hα-helixtrans-71.5-36.2-179-79.1-89.6000112.4I489 R490 R495 L496 R497 Q543 I545 M557 T559 I566I489-F493 HydrophobicContact CG2-CD2 4.12Å; I489-F493 HydrophobicContact CG2-CE2 4.22Å; I489-F493 WeakPolarHBondContact O-CD2 3.41Å; I489-F493 PolarHBondContact O-N 3.32Å; R490-F493 PolarHBondContact O-N 2.97Å; F493-R495 VanDerWaalsContact C-N 3.31Å; F493-R495 PolarHBondContact O-N 3.4Å; F493-L496 PolarHBondContact O-N 3.25Å; F493-R497 WeakPolarHBondContact O-CG 3.24Å; F493-R497 PolarHBondContact O-N 2.91Å; F493-Q543 HydrophobicContact CB-CG 4.44Å; F493-Q543 VanDerWaalsContact CB-OE1 3.28Å; F493-Q543 HydrophobicContact CD1-CB 3.83Å; F493-Q543 HydrophobicContact CD1-CG 4.44Å; F493-Q543 HydrophobicContact CD2-CB 3.72Å; F493-Q543 HydrophobicContact CD2-CG 3.75Å; F493-Q543 HydrophobicContact CE1-CB 3.72Å; F493-Q543 HydrophobicContact CE2-CB 3.61Å; F493-Q543 HydrophobicContact CE2-CG 4.05Å; F493-Q543 HydrophobicContact CG-CB 3.84Å; F493-Q543 HydrophobicContact CG-CG 3.98Å; F493-Q543 HydrophobicContact CZ-CB 3.61Å; F493-I545 HydrophobicContact CD1-CD1 3.67Å; F493-I545 HydrophobicContact CD1-CG1 3.98Å; F493-I545 HydrophobicContact CE1-CD1 4.31Å; F493-I545 HydrophobicContact CE1-CG1 4.22Å; F493-M557 HydrophobicContact CE1-CB 4.21Å; F493-M557 HydrophobicContact CZ-CB 4.32Å; F493-T559 HydrophobicContact CE2-CG2 4.13Å; F493-I566 HydrophobicContact CE2-CG2 3.9Å; F493-I566 HydrophobicContact CZ-CG2 4.02Å
494E95.6Very high93.4Very high83 Ų8371.5 Ų71.539%0.38838%0.376SS..Hα-helixtrans-60.8-38.6173.2-78.6174.6173.200112.2R490 L496 R497 N498R490-E494 WeakPolarHBondContact CD-OE1 3.46Å; R490-E494 HydrophobicContact CG-CG 4.22Å; R490-E494 WeakPolarHBondContact CG-OE1 3.29Å; R490-E494 IonicContact NE-OE1 2.85Å; R490-E494 PolarHBondContact NE-OE1 2.94Å; R490-E494 IonicContact NE-OE2 3.41Å; R490-E494 WeakPolarHBondContact O-CB 3.02Å; R490-E494 WeakPolarHBondContact O-CG 3.23Å; R490-E494 PolarHBondContact O-N 3.02Å; E494-L496 VanDerWaalsContact C-N 3.32Å; E494-L496 PolarHBondContact O-N 3.1Å; E494-R497 PolarHBondContact O-N 2.68Å; E494-N498 WeakPolarHBondContact O-CB 3.24Å; E494-N498 PolarHBondContact O-N 3.19Å; E494-N498 PolarHBondContact O-ND2 2.95Å
495R96.4Very high93.6Very high61 Ų6166.6 Ų66.623%0.2336%0.358CS..Hα-helixtrans-62.3-40.2174177.7-177.457.489.96.5111.7S491 L492 F493 R497 N498 F499 N598 F599 E601S491-R495 WeakPolarHBondContact O-CB 3.25Å; S491-R495 PolarHBondContact O-N 3.28Å; L492-R495 PolarHBondContact O-N 2.68Å; F493-R495 VanDerWaalsContact C-N 3.31Å; F493-R495 PolarHBondContact O-N 3.4Å; R495-R497 VanDerWaalsContact C-N 3.28Å; R495-R497 PolarHBondContact O-N 2.79Å; R495-N498 CarbonylContact O-C 3.58Å; R495-N498 PolarHBondContact O-N 3.36Å; R495-F499 WeakPolarHBondContact O-CA 3.44Å; R495-F499 PolarHBondContact O-N 3.22Å; R495-N598 PolarHBondContact NH1-O 3.29Å; R495-N598 VanDerWaalsContact NH1-O 3.1Å; R495-F599 PolarHBondContact NH2-O 3.37Å; R495-E601 IonicContact CZ-OE2 2.93Å; R495-E601 IonicContact NE-OE2 2.69Å; R495-E601 PolarHBondContact NE-OE2 3.44Å; R495-E601 VanDerWaalsContact NE-OE2 3.11Å; R495-E601 IonicContact NH1-OE2 3.42Å; R495-E601 PolarHBondContact NH1-OE2 3.21Å; R495-E601 IonicContact NH2-OE2 2.67Å; R495-E601 PolarHBondContact NH2-OE2 2.67Å
496L96.8Very high93.9Very high0 Ų064.3 Ų64.30%034%0.344CS..Hα-helixtrans-67.7-29176.7-65.9177.3000112.5L492 F493 E494 Y506 P507 I545 M557 F599L492-L496 HydrophobicContact CD2-CD1 4.04Å; L492-L496 PolarHBondContact O-N 3.3Å; F493-L496 PolarHBondContact O-N 3.25Å; E494-L496 VanDerWaalsContact C-N 3.32Å; E494-L496 PolarHBondContact O-N 3.1Å; L496-Y506 VanDerWaalsContact O-CD1 3.29Å; L496-Y506 WeakPolarHBondContact O-CD1 3.25Å; L496-P507 HydrophobicContact CD2-CG 4.14Å; L496-P507 WeakPolarHBondContact O-CD 3.37Å; L496-I545 HydrophobicContact CB-CD1 4.18Å; L496-I545 HydrophobicContact CD1-CD1 4.48Å; L496-M557 HydrophobicContact CD1-CE 3.9Å; L496-M557 HydrophobicContact CD1-SD 3.96Å; L496-F599 HydrophobicContact CD1-CB 4.49Å; L496-F599 HydrophobicContact CD2-CB 4.11Å; L496-F599 HydrophobicContact CD2-CD1 3.95Å; L496-F599 HydrophobicContact CD2-CG 3.97Å
497R96.9Very high94.2Very high19 Ų1958.7 Ų58.77%0.07232%0.318CS..Hα-helixtrans-83-20.6175.1-67.6178.6-174.3102.816.4114.1F493 E494 R495 D504 A505 Y506 D520 T522 I545F493-R497 WeakPolarHBondContact O-CG 3.24Å; F493-R497 PolarHBondContact O-N 2.91Å; E494-R497 PolarHBondContact O-N 2.68Å; R495-R497 VanDerWaalsContact C-N 3.28Å; R495-R497 PolarHBondContact O-N 2.79Å; R497-D504 CarbonylContact O-C 3.56Å; R497-D504 VanDerWaalsContact O-CA 3.23Å; R497-D504 WeakPolarHBondContact O-CA 3.48Å; R497-D504 PolarHBondContact O-N 2.76Å; R497-A505 CarbonylContact C-O 3.58Å; R497-A505 VanDerWaalsContact C-O 3.22Å; R497-A505 CarbonylContact O-C 3.54Å; R497-A505 PolarHBondContact O-N 2.77Å; R497-A505 VanDerWaalsContact O-O 3.06Å; R497-Y506 HydrophobicContact CB-CE1 4.36Å; R497-Y506 HydrophobicContact CG-CE1 3.75Å; R497-D520 IonicContact CZ-OD2 3.44Å; R497-D520 IonicContact NE-OD1 2.79Å; R497-D520 IonicContact NE-OD2 3.2Å; R497-D520 PolarHBondContact NE-OD2 3.31Å; R497-D520 IonicContact NH2-OD1 3.11Å; R497-D520 PolarHBondContact NH2-OD1 3.49Å; R497-D520 IonicContact NH2-OD2 2.6Å; R497-D520 PolarHBondContact NH2-OD2 3.2Å; R497-T522 PolarHBondContact NH2-OG1 2.72Å; R497-I545 HydrophobicContact CG-CD1 4.38Å
498N96.4Very high94.4Very high57 Ų5758 Ų5831%0.30532%0.324SS..BIsolated β-bridgetrans-122.244.4-178-58-67.4000110.7E494 R495 G501 K502 K503 D504E494-N498 WeakPolarHBondContact O-CB 3.24Å; E494-N498 PolarHBondContact O-N 3.19Å; E494-N498 PolarHBondContact O-ND2 2.95Å; R495-N498 CarbonylContact O-C 3.58Å; R495-N498 PolarHBondContact O-N 3.36Å; N498-G501 PolarHBondContact O-N 3.22Å; N498-K502 CarbonylContact C-O 3.49Å; N498-K502 VanDerWaalsContact C-O 3.25Å; N498-K502 WeakPolarHBondContact CA-O 3.47Å; N498-K503 WeakPolarHBondContact OD1-CA 3.43Å; N498-D504 PolarHBondContact OD1-N 2.88Å
499F95Very high94.6Very high76 Ų7662.1 Ų62.133%0.33334%0.341SS..G310 helixtrans-64.6138.7-168.8-164.2-104.1000111.5R495 G501 K502 A505 P507R495-F499 WeakPolarHBondContact O-CA 3.44Å; R495-F499 PolarHBondContact O-N 3.22Å; F499-G501 PolarHBondContact O-N 2.78Å; F499-K502 PolarHBondContact O-N 2.91Å; F499-A505 VanDerWaalsContact CB-O 3.24Å; F499-A505 WeakPolarHBondContact CB-O 3.38Å; F499-A505 PolarHBondContact N-O 3.45Å; F499-P507 HydrophobicContact CB-CG 4.31Å; F499-P507 HydrophobicContact CD1-CB 4.01Å; F499-P507 HydrophobicContact CD1-CG 4.17Å; F499-P507 HydrophobicContact CD2-CB 4.21Å; F499-P507 HydrophobicContact CD2-CG 3.57Å; F499-P507 HydrophobicContact CE1-CB 3.95Å; F499-P507 HydrophobicContact CE1-CG 4.37Å; F499-P507 HydrophobicContact CE2-CB 4.15Å; F499-P507 HydrophobicContact CE2-CG 3.8Å; F499-P507 HydrophobicContact CG-CB 4.12Å; F499-P507 HydrophobicContact CG-CG 3.76Å; F499-P507 HydrophobicContact CZ-CB 4.02Å; F499-P507 HydrophobicContact CZ-CG 4.19Å
500G90.9Very high94.8Very high73 Ų7361.9 Ų61.975%0.75334%0.34SS*.G310 helixtrans61.621.6-175.800000114.5K502G500-K502 VanDerWaalsContact C-N 3.26Å; G500-K502 PolarHBondContact O-N 3.47Å
501G90.3Very high94.9Very high77 Ų7759 Ų5979%0.79434%0.343SS*.G310 helixtrans76.29.4-179.100000114.4N498 F499N498-G501 PolarHBondContact O-N 3.22Å; F499-G501 PolarHBondContact O-N 2.78Å
502K92.4Very high95Very high151 Ų15163.3 Ų63.366%0.65735%0.351SS*.  trans-97.1126176.3-66.2178.3-176.6175.40109.1N498 F499 G500 A505N498-K502 CarbonylContact C-O 3.49Å; N498-K502 VanDerWaalsContact C-O 3.25Å; N498-K502 WeakPolarHBondContact CA-O 3.47Å; F499-K502 PolarHBondContact O-N 2.91Å; G500-K502 VanDerWaalsContact C-N 3.26Å; G500-K502 PolarHBondContact O-N 3.47Å; K502-A505 HydrophobicContact CB-CB 3.7Å; K502-A505 WeakPolarHBondContact O-CB 3.44Å
503K91.2Very high95.2Very high166 Ų16663.7 Ų63.772%0.72235%0.353SS*.THydrogen-bonded Turntrans-63.6138.2179.7-170.9-175.3172.6-175.70111.1N498 A505N498-K503 WeakPolarHBondContact OD1-CA 3.43Å; K503-A505 PolarHBondContact O-N 2.97Å
504D88.6Confident95.3Very high107 Ų10767.1 Ų67.157%0.57238%0.376SS*.THydrogen-bonded Turntrans55.134.7177-54-42.5000113R497 N498R497-D504 CarbonylContact O-C 3.56Å; R497-D504 VanDerWaalsContact O-CA 3.23Å; R497-D504 WeakPolarHBondContact O-CA 3.48Å; R497-D504 PolarHBondContact O-N 2.76Å; N498-D504 PolarHBondContact OD1-N 2.88Å
505A94.4Very high95.4Very high28 Ų2864.2 Ų64.223%0.23136%0.364CS..BIsolated β-bridgetrans-118.1128.2177.900000110.2R497 F499 K502 K503R497-A505 CarbonylContact C-O 3.58Å; R497-A505 VanDerWaalsContact C-O 3.22Å; R497-A505 CarbonylContact O-C 3.54Å; R497-A505 PolarHBondContact O-N 2.77Å; R497-A505 VanDerWaalsContact O-O 3.06Å; F499-A505 VanDerWaalsContact CB-O 3.24Å; F499-A505 WeakPolarHBondContact CB-O 3.38Å; F499-A505 PolarHBondContact N-O 3.45Å; K502-A505 HydrophobicContact CB-CB 3.7Å; K502-A505 WeakPolarHBondContact O-CB 3.44Å; K503-A505 PolarHBondContact O-N 2.97Å
506Y97.3Very high95.5Very high35 Ų3564.8 Ų64.814%0.13738%0.378CS..  trans-98.1158.9178.2-65.4-88.1000111.6L496 R497 S508 V518 D520 T523 Y525 I545L496-Y506 VanDerWaalsContact O-CD1 3.29Å; L496-Y506 WeakPolarHBondContact O-CD1 3.25Å; R497-Y506 HydrophobicContact CB-CE1 4.36Å; R497-Y506 HydrophobicContact CG-CE1 3.75Å; Y506-S508 PolarHBondContact O-N 2.92Å; Y506-V518 HydrophobicContact CD1-CG1 3.67Å; Y506-V518 HydrophobicContact CD2-CG1 4.19Å; Y506-V518 HydrophobicContact CE1-CG1 3.97Å; Y506-V518 HydrophobicContact CE2-CG1 4.47Å; Y506-V518 HydrophobicContact CG-CB 4.3Å; Y506-V518 HydrophobicContact CG-CG1 3.78Å; Y506-V518 HydrophobicContact CG-CG2 4.28Å; Y506-D520 HydrophobicContact CE1-CB 4.17Å; Y506-D520 WeakPolarHBondContact OH-CB 3.44Å; Y506-D520 PolarHBondContact OH-OD2 3Å; Y506-T523 PolarHBondContact OH-OG1 2.93Å; Y506-Y525 HydrophobicContact CD2-CD1 4.02Å; Y506-Y525 AromaticContact CD2-CE1 3.86Å; Y506-Y525 HydrophobicContact CD2-CE1 3.86Å; Y506-Y525 AromaticContact CE2-CD1 3.44Å; Y506-Y525 HydrophobicContact CE2-CD1 3.44Å; Y506-Y525 VanDerWaalsContact CE2-CD1 3.44Å; Y506-Y525 AromaticContact CE2-CE1 3.76Å; Y506-Y525 HydrophobicContact CE2-CE1 3.76Å; Y506-Y525 AromaticContact CE2-CG 3.98Å; Y506-Y525 HydrophobicContact CE2-CG 3.98Å; Y506-I545 HydrophobicContact CE1-CD1 4.2Å; Y506-I545 HydrophobicContact CE1-CG2 4.44Å
507P96.7Very high95.5Very high2 Ų265 Ų651%0.01338%0.379CS..  trans-55133172.1-16.321.2000112.2L496 F499 F547 F599L496-P507 HydrophobicContact CD2-CG 4.14Å; L496-P507 WeakPolarHBondContact O-CD 3.37Å; F499-P507 HydrophobicContact CB-CG 4.31Å; F499-P507 HydrophobicContact CD1-CB 4.01Å; F499-P507 HydrophobicContact CD1-CG 4.17Å; F499-P507 HydrophobicContact CD2-CB 4.21Å; F499-P507 HydrophobicContact CD2-CG 3.57Å; F499-P507 HydrophobicContact CE1-CB 3.95Å; F499-P507 HydrophobicContact CE1-CG 4.37Å; F499-P507 HydrophobicContact CE2-CB 4.15Å; F499-P507 HydrophobicContact CE2-CG 3.8Å; F499-P507 HydrophobicContact CG-CB 4.12Å; F499-P507 HydrophobicContact CG-CG 3.76Å; F499-P507 HydrophobicContact CZ-CB 4.02Å; F499-P507 HydrophobicContact CZ-CG 4.19Å; P507-F547 HydrophobicContact CG-CE1 4.25Å; P507-F547 HydrophobicContact CG-CZ 4.48Å; P507-F599 HydrophobicContact CB-CE1 3.79Å; P507-F599 HydrophobicContact CB-CZ 3.84Å; P507-F599 HydrophobicContact CG-CD1 4.48Å; P507-F599 HydrophobicContact CG-CE1 3.69Å; P507-F599 HydrophobicContact CG-CZ 3.84Å
508S96.9Very high95.6Very high86 Ų8664.5 Ų64.560%0.60138%0.378SS*.SBendtrans-87-10.9169.954.70000113Y506 V515Y506-S508 PolarHBondContact O-N 2.92Å; S508-V515 PolarHBondContact O-N 3.01Å
509E97.6Very high95.7Very high118 Ų11863 Ų6355%0.55137%0.368SS*.EExtended strand (participates in β ladder)trans-151159-179.963.9-171.9-170.200111.1F513E509-F513 CarbonylContact C-O 3.58Å; E509-F513 VanDerWaalsContact CA-O 3.26Å; E509-F513 WeakPolarHBondContact CA-O 3.15Å
510C97.6Very high95.8Very high2 Ų259.4 Ų59.41%0.01435%0.352CS..EExtended strand (participates in β ladder)trans-137.8102.4172.8-173.10000108.3R512 F513 F549 A594 F599C510-R512 PolarHBondContact O-N 3.44Å; C510-F513 PolarHBondContact N-O 2.84Å; C510-F513 WeakPolarHBondContact O-CB 3.27Å; C510-F513 WeakPolarHBondContact O-CD2 3.5Å; C510-F513 PolarHBondContact O-N 3.02Å; C510-F549 HydrophobicContact CB-CE1 3.77Å; C510-F549 HydrophobicContact CB-CZ 4.3Å; C510-A594 PolarHBondContact SG-O 3.24Å; C510-F599 HydrophobicContact CB-CD1 4.5Å; C510-F599 HydrophobicContact CB-CE1 3.7Å; C510-F599 HydrophobicContact CB-CE2 4.15Å; C510-F599 HydrophobicContact CB-CZ 3.51Å
511G95.9Very high96.1Very high43 Ų4356.2 Ų56.244%0.44332%0.318SS..THydrogen-bonded Turntrans57.2-124.2-167.400000110.7F513G511-F513 VanDerWaalsContact C-N 3.34Å
512R96.9Very high96.3Very high145 Ų14553.3 Ų53.355%0.54729%0.285SS..THydrogen-bonded Turntrans-82-5176.670.2173.4173.898.7-8.3115.1C510 E587 D590C510-R512 PolarHBondContact O-N 3.44Å; R512-E587 IonicContact CZ-OE1 2.65Å; R512-E587 IonicContact CZ-OE2 3.29Å; R512-E587 IonicContact NH1-OE1 2.71Å; R512-E587 PolarHBondContact NH1-OE1 3.24Å; R512-E587 IonicContact NH1-OE2 3.92Å; R512-E587 PolarHBondContact NH1-OE2 3.34Å; R512-E587 IonicContact NH2-OE1 3.59Å; R512-E587 IonicContact NH2-OE2 2.85Å; R512-E587 PolarHBondContact NH2-OE2 3.18Å; R512-D590 IonicContact CZ-OD2 3.37Å; R512-D590 IonicContact NH2-OD2 3.47Å; R512-D590 PolarHBondContact NH2-OD2 3.25Å
513F98.4Very high96.5Very high9 Ų949.8 Ų49.84%0.03928%0.276CS..EExtended strand (participates in β ladder)trans-96118.1-170.9-59.3-85.5000111.2E509 C510 G511 F549 N551 E587 D590 L591 A594E509-F513 CarbonylContact C-O 3.58Å; E509-F513 VanDerWaalsContact CA-O 3.26Å; E509-F513 WeakPolarHBondContact CA-O 3.15Å; C510-F513 PolarHBondContact N-O 2.84Å; C510-F513 WeakPolarHBondContact O-CB 3.27Å; C510-F513 WeakPolarHBondContact O-CD2 3.5Å; C510-F513 PolarHBondContact O-N 3.02Å; G511-F513 VanDerWaalsContact C-N 3.34Å; F513-F549 HydrophobicContact CB-CD1 3.71Å; F513-F549 HydrophobicContact CB-CE1 4.13Å; F513-N551 WeakPolarHBondContact CD1-ND2 3.34Å; F513-N551 WeakPolarHBondContact CE1-ND2 2.82Å; F513-E587 HydrophobicContact CE1-CG 4.47Å; F513-E587 VanDerWaalsContact CE1-OE1 3.31Å; F513-E587 WeakPolarHBondContact CE1-OE1 3.47Å; F513-D590 HydrophobicContact CE2-CB 4.2Å; F513-D590 WeakPolarHBondContact CE2-O 3.39Å; F513-D590 HydrophobicContact CZ-CB 3.8Å; F513-L591 HydrophobicContact CB-CD1 3.94Å; F513-L591 HydrophobicContact CD1-CB 4.42Å; F513-L591 HydrophobicContact CD1-CD1 4.04Å; F513-L591 HydrophobicContact CD2-CB 4.35Å; F513-L591 HydrophobicContact CD2-CD1 3.75Å; F513-L591 HydrophobicContact CE1-CB 4.02Å; F513-L591 HydrophobicContact CE1-CD1 4.47Å; F513-L591 HydrophobicContact CE2-CB 3.98Å; F513-L591 HydrophobicContact CE2-CD1 4.25Å; F513-L591 HydrophobicContact CG-CD1 3.64Å; F513-L591 HydrophobicContact CZ-CB 3.79Å; F513-A594 HydrophobicContact CD2-CB 3.94Å; F513-A594 HydrophobicContact CE2-CB 4.07Å
514S98.4Very high96.7Very high71 Ų7142.6 Ų42.650%0.49725%0.249SC..EExtended strand (participates in β ladder)trans-74.5130.3175-52.80000111.4F549 A550S514-F549 CarbonylContact O-C 3.58Å; S514-F549 VanDerWaalsContact O-CA 3.29Å; S514-F549 WeakPolarHBondContact O-CA 3.35Å; S514-A550 PolarHBondContact O-N 3.28Å
515V98.6Very high97.2Very high23 Ų2340.6 Ų40.614%0.13923%0.234CC..EExtended strand (participates in β ladder)trans-81.8120.8173.6177.50000108.4S508 A517 V518 F547 T548 F549S508-V515 PolarHBondContact O-N 3.01Å; V515-A517 WeakPolarHBondContact CG1-O 3.4Å; V515-V518 HydrophobicContact CG1-CG2 3.73Å; V515-F547 HydrophobicContact CG1-CD1 3.98Å; V515-F547 HydrophobicContact CG2-CD1 4.28Å; V515-T548 CarbonylContact C-O 3.57Å; V515-T548 WeakPolarHBondContact CA-O 3.5Å; V515-F549 HydrophobicContact CG2-CD1 4.01Å; V515-F549 HydrophobicContact CG2-CE1 3.65Å; V515-F549 HydrophobicContact CG2-CZ 4.41Å
516S98.1Very high97.3Very high73 Ų7339.4 Ų39.451%0.5122%0.224SC..EExtended strand (participates in β ladder)trans-93.1-28.6177.5570000112.7T548S516-T548 PolarHBondContact N-O 2.83Å; S516-T548 PolarHBondContact OG-O 3.07Å; S516-T548 VanDerWaalsContact OG-O 3.12Å
517A98.1Very high97.3Very high3 Ų339.8 Ų39.83%0.02523%0.231CC..EExtended strand (participates in β ladder)trans-154.8157.1177.200000113.2V515 S527 N528 T548V515-A517 WeakPolarHBondContact CG1-O 3.4Å; A517-S527 VanDerWaalsContact CA-OG 3.28Å; A517-S527 WeakPolarHBondContact CA-OG 3.48Å; A517-S527 WeakPolarHBondContact CB-OG 3.38Å; A517-N528 WeakPolarHBondContact CB-ND2 3.38Å; A517-N528 WeakPolarHBondContact CB-OD1 3.29Å; A517-T548 PolarHBondContact N-O 3.46Å; A517-T548 PolarHBondContact O-N 2.79Å
518V98.3Very high97.2Very high9 Ų944.3 Ų44.36%0.05526%0.255CS..EExtended strand (participates in β ladder)trans-134.8132.8176.1-174.80000110.1Y506 V515 Y525 D526 S527 I545 T546 F547Y506-V518 HydrophobicContact CD1-CG1 3.67Å; Y506-V518 HydrophobicContact CD2-CG1 4.19Å; Y506-V518 HydrophobicContact CE1-CG1 3.97Å; Y506-V518 HydrophobicContact CE2-CG1 4.47Å; Y506-V518 HydrophobicContact CG-CB 4.3Å; Y506-V518 HydrophobicContact CG-CG1 3.78Å; Y506-V518 HydrophobicContact CG-CG2 4.28Å; V515-V518 HydrophobicContact CG1-CG2 3.73Å; V518-Y525 HydrophobicContact CB-CE1 4.29Å; V518-D526 WeakPolarHBondContact O-CA 3.23Å; V518-S527 PolarHBondContact N-OG 2.87Å; V518-S527 PolarHBondContact O-N 3.42Å; V518-S527 PolarHBondContact O-OG 2.81Å; V518-I545 HydrophobicContact CG1-CG2 3.8Å; V518-T546 WeakPolarHBondContact CA-O 3.31Å; V518-F547 HydrophobicContact CG1-CD1 4.33Å; V518-F547 HydrophobicContact CG1-CE1 4.1Å; V518-F547 HydrophobicContact CG2-CD1 3.69Å; V518-F547 HydrophobicContact CG2-CE1 3.83Å
519R98.1Very high97.1Very high27 Ų2742.9 Ų42.910%0.10224%0.239CC..EExtended strand (participates in β ladder)trans-123.2115.9169.7175.1175.962.3-174.3-4.6109E396 L521 Y525 D526 I545 T546E396-R519 IonicContact OE1-NH2 2.62Å; E396-R519 IonicContact OE2-CZ 2.89Å; E396-R519 IonicContact OE2-NH1 2.72Å; E396-R519 PolarHBondContact OE2-NH1 3.36Å; E396-R519 IonicContact OE2-NH2 2.59Å; E396-R519 PolarHBondContact OE2-NH2 3.18Å; E396-R519 VanDerWaalsContact OE2-NH2 3.07Å; R519-L521 HydrophobicContact CG-CD2 3.75Å; R519-L521 HydrophobicContact CG-CG 4.23Å; R519-Y525 CarbonylContact C-O 3.51Å; R519-Y525 WeakPolarHBondContact CA-O 3.25Å; R519-D526 HydrophobicContact CB-CB 4.38Å; R519-D526 WeakPolarHBondContact CD-OD2 3.33Å; R519-D526 HydrophobicContact CG-CB 4.19Å; R519-I545 CarbonylContact O-C 3.56Å; R519-I545 WeakPolarHBondContact O-CA 3.37Å; R519-T546 PolarHBondContact N-O 2.98Å; R519-T546 PolarHBondContact O-N 3.32Å
520D97.7Very high97Very high0 Ų043.6 Ų43.60%025%0.254CS..EExtended strand (participates in β ladder)trans-113.9105.3175.2177.618.3000110.1R497 Y506 T522 T523 G524 Y525 M544 I545R497-D520 IonicContact CZ-OD2 3.44Å; R497-D520 IonicContact NE-OD1 2.79Å; R497-D520 IonicContact NE-OD2 3.2Å; R497-D520 PolarHBondContact NE-OD2 3.31Å; R497-D520 IonicContact NH2-OD1 3.11Å; R497-D520 PolarHBondContact NH2-OD1 3.49Å; R497-D520 IonicContact NH2-OD2 2.6Å; R497-D520 PolarHBondContact NH2-OD2 3.2Å; Y506-D520 HydrophobicContact CE1-CB 4.17Å; Y506-D520 WeakPolarHBondContact OH-CB 3.44Å; Y506-D520 PolarHBondContact OH-OD2 3Å; D520-T522 PolarHBondContact O-N 3.4Å; D520-T522 WeakPolarHBondContact OD1-CA 3.27Å; D520-T522 WeakPolarHBondContact OD1-CB 3.44Å; D520-T522 PolarHBondContact OD1-N 3.24Å; D520-T522 PolarHBondContact OD1-OG1 3.09Å; D520-T523 VanDerWaalsContact CG-OG1 3.28Å; D520-T523 PolarHBondContact O-N 3.04Å; D520-T523 WeakPolarHBondContact OD2-CB 3.38Å; D520-T523 VanDerWaalsContact OD2-CG2 3.25Å; D520-T523 WeakPolarHBondContact OD2-CG2 3.41Å; D520-T523 PolarHBondContact OD2-OG1 3.41Å; D520-G524 CarbonylContact O-C 3.22Å; D520-G524 WeakPolarHBondContact O-CA 3.25Å; D520-G524 PolarHBondContact O-N 2.85Å; D520-Y525 PolarHBondContact N-O 3.16Å; D520-Y525 PolarHBondContact O-N 3.18Å; D520-Y525 VanDerWaalsContact O-N 3.11Å; D520-M544 WeakPolarHBondContact CA-O 3.07Å; D520-M544 VanDerWaalsContact OD1-O 3.04Å; D520-I545 HydrophobicContact CB-CG1 4.11Å; D520-I545 HydrophobicContact CB-CG2 4.46Å
521L96.6Very high96.9Very high6 Ų648.3 Ų48.33%0.03128%0.279CS..THydrogen-bonded Turntrans-78.6-3.5-179.8-56.6-176.7000112.5L398 R519 A534 L536 T538 S539 M544L398-L521 HydrophobicContact CD2-CD1 3.38Å; R519-L521 HydrophobicContact CG-CD2 3.75Å; R519-L521 HydrophobicContact CG-CG 4.23Å; L521-A534 HydrophobicContact CD2-CB 3.58Å; L521-L536 HydrophobicContact CD1-CB 4.2Å; L521-L536 HydrophobicContact CD1-CD1 4.01Å; L521-L536 HydrophobicContact CD2-CB 3.98Å; L521-T538 CarbonylContact O-C 3.57Å; L521-T538 WeakPolarHBondContact O-CA 3.39Å; L521-T538 VanDerWaalsContact O-CB 3.22Å; L521-T538 WeakPolarHBondContact O-CB 3.32Å; L521-S539 PolarHBondContact O-N 2.73Å; L521-M544 HydrophobicContact CB-CB 4.4Å; L521-M544 HydrophobicContact CD1-CE 3.9Å; L521-M544 HydrophobicContact CD1-CG 4.47Å; L521-M544 HydrophobicContact CD1-SD 3.95Å; L521-M544 PolarHBondContact N-O 2.89Å
522T95.4Very high96.9Very high15 Ų1552 Ų529%0.09228%0.283CS..THydrogen-bonded Turntrans-77.2-43172.3-360000110.8R497 D520 S539 S542 Q543 M544R497-T522 PolarHBondContact NH2-OG1 2.72Å; D520-T522 PolarHBondContact O-N 3.4Å; D520-T522 WeakPolarHBondContact OD1-CA 3.27Å; D520-T522 WeakPolarHBondContact OD1-CB 3.44Å; D520-T522 PolarHBondContact OD1-N 3.24Å; D520-T522 PolarHBondContact OD1-OG1 3.09Å; T522-S539 WeakPolarHBondContact CA-O 3.23Å; T522-S542 WeakPolarHBondContact CG2-O 3.38Å; T522-S542 PolarHBondContact OG1-O 2.57Å; T522-Q543 WeakPolarHBondContact OG1-CA 3.33Å; T522-M544 PolarHBondContact OG1-N 3.42Å
523T95.7Very high96.9Very high78 Ų7851.4 Ų51.448%0.47928%0.284SS..THydrogen-bonded Turntrans-99.1-16.5-179.555.70000112.9Y506 D520 Y525Y506-T523 PolarHBondContact OH-OG1 2.93Å; D520-T523 VanDerWaalsContact CG-OG1 3.28Å; D520-T523 PolarHBondContact O-N 3.04Å; D520-T523 WeakPolarHBondContact OD2-CB 3.38Å; D520-T523 VanDerWaalsContact OD2-CG2 3.25Å; D520-T523 WeakPolarHBondContact OD2-CG2 3.41Å; D520-T523 PolarHBondContact OD2-OG1 3.41Å; T523-Y525 VanDerWaalsContact C-N 3.34Å
524G96.4Very high96.7Very high14 Ų1451.9 Ų51.914%0.14429%0.29CS..THydrogen-bonded Turntrans79.216.8-17300000114D520 K533 A534 T538D520-G524 CarbonylContact O-C 3.22Å; D520-G524 WeakPolarHBondContact O-CA 3.25Å; D520-G524 PolarHBondContact O-N 2.85Å; G524-K533 CarbonylContact O-C 3.55Å; G524-K533 WeakPolarHBondContact O-CA 3.15Å; G524-A534 PolarHBondContact O-N 3.11Å; G524-T538 VanDerWaalsContact CA-CG2 3.45Å
525Y97.3Very high96.5Very high66 Ų6654.6 Ų54.626%0.25930%0.298SS..EExtended strand (participates in β ladder)trans-79.7134.4175179.5-98.8000111.1Y506 V518 R519 D520 T523 K532Y506-Y525 HydrophobicContact CD2-CD1 4.02Å; Y506-Y525 AromaticContact CD2-CE1 3.86Å; Y506-Y525 HydrophobicContact CD2-CE1 3.86Å; Y506-Y525 AromaticContact CE2-CD1 3.44Å; Y506-Y525 HydrophobicContact CE2-CD1 3.44Å; Y506-Y525 VanDerWaalsContact CE2-CD1 3.44Å; Y506-Y525 AromaticContact CE2-CE1 3.76Å; Y506-Y525 HydrophobicContact CE2-CE1 3.76Å; Y506-Y525 AromaticContact CE2-CG 3.98Å; Y506-Y525 HydrophobicContact CE2-CG 3.98Å; V518-Y525 HydrophobicContact CB-CE1 4.29Å; R519-Y525 CarbonylContact C-O 3.51Å; R519-Y525 WeakPolarHBondContact CA-O 3.25Å; D520-Y525 PolarHBondContact N-O 3.16Å; D520-Y525 PolarHBondContact O-N 3.18Å; D520-Y525 VanDerWaalsContact O-N 3.11Å; T523-Y525 VanDerWaalsContact C-N 3.34Å; Y525-K532 WeakPolarHBondContact CA-O 3.35Å; Y525-K532 HydrophobicContact CD2-CB 4.25Å; Y525-K532 HydrophobicContact CE2-CB 3.95Å; Y525-K532 HydrophobicContact CE2-CD 3.92Å; Y525-K532 HydrophobicContact CE2-CG 4.45Å
526D97.6Very high96.3Very high3 Ų354.5 Ų54.52%0.01630%0.296CS..EExtended strand (participates in β ladder)trans-145.7106.9170.8-172.9-13.1000110.8V518 R519 N528 Q529 K532 A534V518-D526 WeakPolarHBondContact O-CA 3.23Å; R519-D526 HydrophobicContact CB-CB 4.38Å; R519-D526 WeakPolarHBondContact CD-OD2 3.33Å; R519-D526 HydrophobicContact CG-CB 4.19Å; D526-N528 PolarHBondContact O-N 3.48Å; D526-N528 VanDerWaalsContact O-N 3.16Å; D526-N528 WeakPolarHBondContact OD1-CB 3.4Å; D526-N528 PolarHBondContact OD1-N 3.48Å; D526-N528 PolarHBondContact OD1-ND2 2.86Å; D526-Q529 HydrophobicContact CB-CG 3.99Å; D526-Q529 PolarHBondContact O-N 3.39Å; D526-Q529 VanDerWaalsContact O-N 3.12Å; D526-K532 PolarHBondContact N-O 2.96Å; D526-K532 CarbonylContact O-C 3.6Å; D526-K532 WeakPolarHBondContact O-CA 3.44Å; D526-A534 HydrophobicContact CB-CB 4.1Å
527S97.1Very high96Very high43 Ų4353.8 Ų53.830%0.30129%0.29SS..THydrogen-bonded Turntrans-68.8-11.3-177.471.60000114.2A517 V518 Q529A517-S527 VanDerWaalsContact CA-OG 3.28Å; A517-S527 WeakPolarHBondContact CA-OG 3.48Å; A517-S527 WeakPolarHBondContact CB-OG 3.38Å; V518-S527 PolarHBondContact N-OG 2.87Å; V518-S527 PolarHBondContact O-N 3.42Å; V518-S527 PolarHBondContact O-OG 2.81Å; S527-Q529 VanDerWaalsContact C-N 3.29Å
528N93.8Very high95.8Very high97 Ų9757.4 Ų57.452%0.51931%0.312SS..THydrogen-bonded Turntrans-80.4-12.8174.4-66-59000112.8A517 D526A517-N528 WeakPolarHBondContact CB-ND2 3.38Å; A517-N528 WeakPolarHBondContact CB-OD1 3.29Å; D526-N528 PolarHBondContact O-N 3.48Å; D526-N528 VanDerWaalsContact O-N 3.16Å; D526-N528 WeakPolarHBondContact OD1-CB 3.4Å; D526-N528 PolarHBondContact OD1-N 3.48Å; D526-N528 PolarHBondContact OD1-ND2 2.86Å
529Q95.8Very high95.3Very high56 Ų5659 Ų5926%0.26232%0.323SS..SBendtrans-95.8142.1-178.2-57.8-57-35.500111.1D526 S527 D531 K532 K533 I535D526-Q529 HydrophobicContact CB-CG 3.99Å; D526-Q529 PolarHBondContact O-N 3.39Å; D526-Q529 VanDerWaalsContact O-N 3.12Å; S527-Q529 VanDerWaalsContact C-N 3.29Å; Q529-D531 PolarHBondContact O-N 3.48Å; Q529-K532 WeakPolarHBondContact O-CA 3.45Å; Q529-K532 PolarHBondContact O-N 2.99Å; Q529-K533 WeakPolarHBondContact CB-O 3.1Å; Q529-K533 WeakPolarHBondContact CG-O 3.35Å; Q529-I535 HydrophobicContact CG-CG2 4.37Å
530P94.4Very high94.9Very high133 Ų13362.9 Ų62.986%0.86435%0.354SS*.THydrogen-bonded Turntrans-56.5-35.3-178.6-2734.8000114.3
531D95.9Very high94.2Very high100 Ų10067.8 Ų67.854%0.53539%0.389SS..THydrogen-bonded Turntrans-94.14.4178.372-15.8000113.5Q529 K533Q529-D531 PolarHBondContact O-N 3.48Å; D531-K533 PolarHBondContact O-N 3.42Å; D531-K533 PolarHBondContact OD1-N 3.33Å; D531-K533 WeakPolarHBondContact OD2-CD 2.92Å
532K95.9Very high93.7Very high121 Ų12170.1 Ų70.153%0.52641%0.405SS..SBendtrans60.323.7-175.8-54.3-173.8-178.7-176.80115.2Y525 D526 Q529Y525-K532 WeakPolarHBondContact CA-O 3.35Å; Y525-K532 HydrophobicContact CD2-CB 4.25Å; Y525-K532 HydrophobicContact CE2-CB 3.95Å; Y525-K532 HydrophobicContact CE2-CD 3.92Å; Y525-K532 HydrophobicContact CE2-CG 4.45Å; D526-K532 PolarHBondContact N-O 2.96Å; D526-K532 CarbonylContact O-C 3.6Å; D526-K532 WeakPolarHBondContact O-CA 3.44Å; Q529-K532 WeakPolarHBondContact O-CA 3.45Å; Q529-K532 PolarHBondContact O-N 2.99Å
533K96.8Very high93.7Very high132 Ų13270.7 Ų70.757%0.57441%0.407SS*.BIsolated β-bridgetrans-108.5136179.5-63.8-176.2-174.7170.40112.1G524 Q529 D531G524-K533 CarbonylContact O-C 3.55Å; G524-K533 WeakPolarHBondContact O-CA 3.15Å; Q529-K533 WeakPolarHBondContact CB-O 3.1Å; Q529-K533 WeakPolarHBondContact CG-O 3.35Å; D531-K533 PolarHBondContact O-N 3.42Å; D531-K533 PolarHBondContact OD1-N 3.33Å; D531-K533 WeakPolarHBondContact OD2-CD 2.92Å
534A95.3Very high93.7Very high19 Ų1967.7 Ų67.716%0.15739%0.388CS..  trans-64.3136175.500000111.4L521 G524 D526 T538L521-A534 HydrophobicContact CD2-CB 3.58Å; G524-A534 PolarHBondContact O-N 3.11Å; D526-A534 HydrophobicContact CB-CB 4.1Å; A534-T538 HydrophobicContact CB-CG2 4.25Å
535I94.1Very high93.8Very high129 Ų12967 Ų6766%0.66238%0.381SS*.SBendtrans-82.9-18.8173.161.8173.8000112.8Q529Q529-I535 HydrophobicContact CG-CG2 4.37Å
536L94.4Very high93.8Very high20 Ų2064 Ų6411%0.10537%0.369CS..SBendtrans-83.2153.9178.2-64.6177.4000110.5T377 E396 L521 T538T377-L536 HydrophobicContact CG2-CD1 3.35Å; E396-L536 VanDerWaalsContact O-CD2 3.26Å; E396-L536 WeakPolarHBondContact O-CD2 3.14Å; L521-L536 HydrophobicContact CD1-CB 4.2Å; L521-L536 HydrophobicContact CD1-CD1 4.01Å; L521-L536 HydrophobicContact CD2-CB 3.98Å; L536-T538 PolarHBondContact O-N 3.24Å
537P91.8Very high93.9Very high58 Ų5863.9 Ų63.938%0.37737%0.369SS..  trans-54.3139.2173.9-22.431.5000111.7L398 W403L398-P537 HydrophobicContact CD1-CB 3.86Å; L398-P537 HydrophobicContact CD1-CG 4.25Å; W403-P537 HydrophobicContact CE3-CG 4.1Å; W403-P537 HydrophobicContact CH2-CB 3.92Å; W403-P537 HydrophobicContact CH2-CG 4Å; W403-P537 HydrophobicContact CZ3-CB 4.06Å; W403-P537 HydrophobicContact CZ3-CG 3.62Å
538T92.5Very high93.9Very high80 Ų8063.7 Ų63.749%0.49137%0.366SS..  trans-111.5154.8-177.861.30000110.8L521 G524 A534 L536L521-T538 CarbonylContact O-C 3.57Å; L521-T538 WeakPolarHBondContact O-CA 3.39Å; L521-T538 VanDerWaalsContact O-CB 3.22Å; L521-T538 WeakPolarHBondContact O-CB 3.32Å; G524-T538 VanDerWaalsContact CA-CG2 3.45Å; A534-T538 HydrophobicContact CB-CG2 4.25Å; L536-T538 PolarHBondContact O-N 3.24Å
539S89.5Confident94.2Very high42 Ų4259.1 Ų59.129%0.29434%0.341SS..  trans-147.4112.4176.9177.60000110.7L521 T522 S541 S542L521-S539 PolarHBondContact O-N 2.73Å; T522-S539 WeakPolarHBondContact CA-O 3.23Å; S539-S541 PolarHBondContact O-N 3.41Å; S539-S541 PolarHBondContact OG-OG 2.9Å; S539-S542 PolarHBondContact O-N 2.84Å
540S88.2Confident94.2Very high108 Ų10860 Ų6076%0.75536%0.358SS*.THydrogen-bonded Turntrans-66.1-18.7177.156.20000113.3
541S83.3Confident94.2Very high103 Ų10356.3 Ų56.372%0.7233%0.331SS*.THydrogen-bonded Turntrans-89.1-6.5178.364.10000113.7S539S539-S541 PolarHBondContact O-N 3.41Å; S539-S541 PolarHBondContact OG-OG 2.9Å
542S87.5Confident94.2Very high55 Ų5552.6 Ų52.639%0.38532%0.317SS..SBendtrans-126.1126.7-177.5-64.80000111.2T522 S539T522-S542 WeakPolarHBondContact CG2-O 3.38Å; T522-S542 PolarHBondContact OG1-O 2.57Å; S539-S542 PolarHBondContact O-N 2.84Å
543Q94.3Very high94.3Very high28 Ų2846.9 Ų46.913%0.13129%0.292CS..  trans-81.9123.5-179.5-55.4-61.6-35.400110I489 F493 T522 R558 T559I489-Q543 HydrophobicContact CG2-CG 4.36Å; F493-Q543 HydrophobicContact CB-CG 4.44Å; F493-Q543 VanDerWaalsContact CB-OE1 3.28Å; F493-Q543 HydrophobicContact CD1-CB 3.83Å; F493-Q543 HydrophobicContact CD1-CG 4.44Å; F493-Q543 HydrophobicContact CD2-CB 3.72Å; F493-Q543 HydrophobicContact CD2-CG 3.75Å; F493-Q543 HydrophobicContact CE1-CB 3.72Å; F493-Q543 HydrophobicContact CE2-CB 3.61Å; F493-Q543 HydrophobicContact CE2-CG 4.05Å; F493-Q543 HydrophobicContact CG-CB 3.84Å; F493-Q543 HydrophobicContact CG-CG 3.98Å; F493-Q543 HydrophobicContact CZ-CB 3.61Å; T522-Q543 WeakPolarHBondContact OG1-CA 3.33Å; Q543-R558 CarbonylContact O-C 3.37Å; Q543-R558 WeakPolarHBondContact O-CA 3.34Å; Q543-R558 WeakPolarHBondContact O-CB 3.34Å; Q543-T559 HydrophobicContact CB-CG2 3.81Å; Q543-T559 HydrophobicContact CG-CG2 3.95Å; Q543-T559 PolarHBondContact N-OG1 3.19Å; Q543-T559 PolarHBondContact O-N 2.98Å
544M96.3Very high94.4Very high15 Ų1541.4 Ų41.47%0.07427%0.27CS..EExtended strand (participates in β ladder)trans-155.2111.7173-177167.3170.400112.1T377 L398 D520 L521 T522 T556 M557 R558T377-M544 HydrophobicContact CG2-CE 4.21Å; T377-M544 WeakPolarHBondContact OG1-CE 3.46Å; L398-M544 HydrophobicContact CD2-SD 4.33Å; D520-M544 WeakPolarHBondContact CA-O 3.07Å; D520-M544 VanDerWaalsContact OD1-O 3.04Å; L521-M544 HydrophobicContact CB-CB 4.4Å; L521-M544 HydrophobicContact CD1-CE 3.9Å; L521-M544 HydrophobicContact CD1-CG 4.47Å; L521-M544 HydrophobicContact CD1-SD 3.95Å; L521-M544 PolarHBondContact N-O 2.89Å; T522-M544 PolarHBondContact OG1-N 3.42Å; M544-T556 HydrophobicContact CE-CG2 3.71Å; M544-T556 HydrophobicContact CG-CG2 4.11Å; M544-M557 CarbonylContact C-O 3.38Å; M544-M557 VanDerWaalsContact CA-O 3.32Å; M544-M557 WeakPolarHBondContact CA-O 3.33Å; M544-R558 HydrophobicContact CB-CB 4.14Å; M544-R558 HydrophobicContact CG-CB 4.13Å
545I97.9Very high94.5Very high0 Ų040.6 Ų40.60%026%0.263CS..EExtended strand (participates in β ladder)trans-123.3129.2176.1-51.9176.4000109.2F493 L496 R497 Y506 V518 R519 D520 F547 T556 M557F493-I545 HydrophobicContact CD1-CD1 3.67Å; F493-I545 HydrophobicContact CD1-CG1 3.98Å; F493-I545 HydrophobicContact CE1-CD1 4.31Å; F493-I545 HydrophobicContact CE1-CG1 4.22Å; L496-I545 HydrophobicContact CB-CD1 4.18Å; L496-I545 HydrophobicContact CD1-CD1 4.48Å; R497-I545 HydrophobicContact CG-CD1 4.38Å; Y506-I545 HydrophobicContact CE1-CD1 4.2Å; Y506-I545 HydrophobicContact CE1-CG2 4.44Å; V518-I545 HydrophobicContact CG1-CG2 3.8Å; R519-I545 CarbonylContact O-C 3.56Å; R519-I545 WeakPolarHBondContact O-CA 3.37Å; D520-I545 HydrophobicContact CB-CG1 4.11Å; D520-I545 HydrophobicContact CB-CG2 4.46Å; I545-F547 HydrophobicContact CB-CE2 4.12Å; I545-F547 HydrophobicContact CG2-CD2 4.01Å; I545-F547 HydrophobicContact CG2-CE1 4.29Å; I545-F547 HydrophobicContact CG2-CE2 3.43Å; I545-F547 VanDerWaalsContact CG2-CE2 3.43Å; I545-F547 HydrophobicContact CG2-CZ 3.6Å; I545-T556 CarbonylContact O-C 3.55Å; I545-T556 WeakPolarHBondContact O-CA 3.22Å; I545-M557 PolarHBondContact N-O 3.04Å; I545-M557 PolarHBondContact O-N 3.14Å
546T98.2Very high94.7Very high2 Ų234.5 Ų34.51%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-108.7123.7170.8-57.20000109.8V518 R519 V554 A555 T556V518-T546 WeakPolarHBondContact CA-O 3.31Å; R519-T546 PolarHBondContact N-O 2.98Å; R519-T546 PolarHBondContact O-N 3.32Å; T546-V554 HydrophobicContact CG2-CG1 3.75Å; T546-A555 CarbonylContact C-O 3.44Å; T546-A555 VanDerWaalsContact CA-O 3.29Å; T546-A555 WeakPolarHBondContact CA-O 3.4Å; T546-T556 WeakPolarHBondContact CG2-OG1 3.36Å; T546-T556 PolarHBondContact OG1-OG1 3.13Å
547F98.5Very high94.8Very high0 Ų033.6 Ų33.60%023%0.227CC..EExtended strand (participates in β ladder)trans-101.4133.4169.7-63.8-87000109.5P507 V515 V518 I545 F549 V554 A555 M557 F599P507-F547 HydrophobicContact CG-CE1 4.25Å; P507-F547 HydrophobicContact CG-CZ 4.48Å; V515-F547 HydrophobicContact CG1-CD1 3.98Å; V515-F547 HydrophobicContact CG2-CD1 4.28Å; V518-F547 HydrophobicContact CG1-CD1 4.33Å; V518-F547 HydrophobicContact CG1-CE1 4.1Å; V518-F547 HydrophobicContact CG2-CD1 3.69Å; V518-F547 HydrophobicContact CG2-CE1 3.83Å; I545-F547 HydrophobicContact CB-CE2 4.12Å; I545-F547 HydrophobicContact CG2-CD2 4.01Å; I545-F547 HydrophobicContact CG2-CE1 4.29Å; I545-F547 HydrophobicContact CG2-CE2 3.43Å; I545-F547 VanDerWaalsContact CG2-CE2 3.43Å; I545-F547 HydrophobicContact CG2-CZ 3.6Å; F547-F549 HydrophobicContact CB-CE2 3.81Å; F547-F549 HydrophobicContact CB-CZ 3.88Å; F547-V554 CarbonylContact O-C 3.39Å; F547-V554 WeakPolarHBondContact O-CA 3.38Å; F547-A555 PolarHBondContact N-O 3.48Å; F547-A555 PolarHBondContact O-N 3.38Å; F547-M557 HydrophobicContact CE2-SD 4.16Å; F547-F599 HydrophobicContact CD1-CE2 4.05Å; F547-F599 HydrophobicContact CD1-CZ 4.42Å; F547-F599 HydrophobicContact CD2-CD2 4.16Å; F547-F599 AromaticContact CD2-CE2 3.73Å; F547-F599 HydrophobicContact CD2-CE2 3.73Å; F547-F599 HydrophobicContact CE1-CE2 4.09Å; F547-F599 HydrophobicContact CE1-CZ 4.32Å; F547-F599 AromaticContact CE2-CD2 3.97Å; F547-F599 HydrophobicContact CE2-CD2 3.97Å; F547-F599 AromaticContact CE2-CE2 3.75Å; F547-F599 HydrophobicContact CE2-CE2 3.75Å; F547-F599 AromaticContact CG-CE2 3.89Å; F547-F599 HydrophobicContact CG-CE2 3.89Å; F547-F599 HydrophobicContact CZ-CD2 4.41Å; F547-F599 AromaticContact CZ-CE2 3.93Å; F547-F599 HydrophobicContact CZ-CE2 3.93Å; F547-F599 HydrophobicContact CZ-CZ 4.44Å
548T98.3Very high95Very high39 Ų3933.5 Ų33.524%0.23922%0.219CC..EExtended strand (participates in β ladder)trans-107.6136.5167.5-51.80000108.1V515 S516 A517 G553 V554V515-T548 CarbonylContact C-O 3.57Å; V515-T548 WeakPolarHBondContact CA-O 3.5Å; S516-T548 PolarHBondContact N-O 2.83Å; S516-T548 PolarHBondContact OG-O 3.07Å; S516-T548 VanDerWaalsContact OG-O 3.12Å; A517-T548 PolarHBondContact N-O 3.46Å; A517-T548 PolarHBondContact O-N 2.79Å; T548-G553 CarbonylContact C-O 3.53Å; T548-V554 HydrophobicContact CG2-CG2 4.4Å
549F98.3Very high95Very high2 Ų230.8 Ų30.81%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-110.5151.1-176.5-62.3-88.4000110.8C510 F513 S514 V515 F547 N551 G552 G553 A555 L591 I595 F599C510-F549 HydrophobicContact CB-CE1 3.77Å; C510-F549 HydrophobicContact CB-CZ 4.3Å; F513-F549 HydrophobicContact CB-CD1 3.71Å; F513-F549 HydrophobicContact CB-CE1 4.13Å; S514-F549 CarbonylContact O-C 3.58Å; S514-F549 VanDerWaalsContact O-CA 3.29Å; S514-F549 WeakPolarHBondContact O-CA 3.35Å; V515-F549 HydrophobicContact CG2-CD1 4.01Å; V515-F549 HydrophobicContact CG2-CE1 3.65Å; V515-F549 HydrophobicContact CG2-CZ 4.41Å; F547-F549 HydrophobicContact CB-CE2 3.81Å; F547-F549 HydrophobicContact CB-CZ 3.88Å; F549-N551 VanDerWaalsContact CB-OD1 3.31Å; F549-N551 WeakPolarHBondContact CB-OD1 3.32Å; F549-N551 PolarHBondContact O-N 3.21Å; F549-G552 PolarHBondContact O-N 3.49Å; F549-G553 WeakPolarHBondContact CD2-O 3.49Å; F549-G553 PolarHBondContact N-O 3.18Å; F549-A555 HydrophobicContact CE2-CB 3.86Å; F549-L591 HydrophobicContact CD1-CD1 4.08Å; F549-L591 HydrophobicContact CD2-CD1 4.01Å; F549-L591 HydrophobicContact CD2-CD2 4.02Å; F549-L591 HydrophobicContact CE1-CD1 3.92Å; F549-L591 HydrophobicContact CE2-CD1 3.86Å; F549-L591 HydrophobicContact CE2-CD2 4.3Å; F549-L591 HydrophobicContact CG-CD1 4.11Å; F549-L591 HydrophobicContact CZ-CD1 3.82Å; F549-I595 HydrophobicContact CE2-CD1 4.25Å; F549-I595 HydrophobicContact CZ-CD1 4.26Å; F549-I595 HydrophobicContact CZ-CG1 4.32Å; F549-F599 HydrophobicContact CZ-CE2 4.41Å
550A97.2Very high94.6Very high75 Ų7529.7 Ų29.762%0.6220%0.195SC*.THydrogen-bonded Turntrans-62.7-24.1-176.800000113.7S514 G552S514-A550 PolarHBondContact O-N 3.28Å; A550-G552 PolarHBondContact O-N 2.65Å
551N94.8Very high93.8Very high54 Ų5428.2 Ų28.229%0.28920%0.197SC..THydrogen-bonded Turntrans-82.76.2176.471.9-22.7000113.8F513 F549 G553 E587F513-N551 WeakPolarHBondContact CD1-ND2 3.34Å; F513-N551 WeakPolarHBondContact CE1-ND2 2.82Å; F549-N551 VanDerWaalsContact CB-OD1 3.31Å; F549-N551 WeakPolarHBondContact CB-OD1 3.32Å; F549-N551 PolarHBondContact O-N 3.21Å; N551-G553 PolarHBondContact OD1-N 3.42Å; N551-G553 VanDerWaalsContact OD1-N 3.12Å; N551-E587 PolarHBondContact ND2-OE1 3.02Å; N551-E587 VanDerWaalsContact ND2-OE1 3.15Å
552G95.9Very high92.9Very high23 Ų2328.5 Ų28.524%0.23719%0.194CC..SBendtrans89.12.8-176.400000114.3F549 A550 C573F549-G552 PolarHBondContact O-N 3.49Å; A550-G552 PolarHBondContact O-N 2.65Å; G552-C573 WeakPolarHBondContact O-CB 3.45Å; G552-C573 PolarHBondContact O-N 3.17Å
553G97.7Very high92.1Very high0 Ų029.5 Ų29.50%019%0.192CC..EExtended strand (participates in β ladder)trans-66.7143.617200000112.1T548 F549 N551 E571T548-G553 CarbonylContact C-O 3.53Å; F549-G553 WeakPolarHBondContact CD2-O 3.49Å; F549-G553 PolarHBondContact N-O 3.18Å; N551-G553 PolarHBondContact OD1-N 3.42Å; N551-G553 VanDerWaalsContact OD1-N 3.12Å; G553-E571 CarbonylContact C-O 3.55Å; G553-E571 WeakPolarHBondContact CA-O 3.4Å
554V98.1Very high91.6Very high18 Ų1830.5 Ų30.511%0.10920%0.201CC..EExtended strand (participates in β ladder)trans-132.7130.2171.7-177.40000108T546 F547 T548 T570 E571T546-V554 HydrophobicContact CG2-CG1 3.75Å; F547-V554 CarbonylContact O-C 3.39Å; F547-V554 WeakPolarHBondContact O-CA 3.38Å; T548-V554 HydrophobicContact CG2-CG2 4.4Å; V554-T570 CarbonylContact O-C 3.57Å; V554-T570 VanDerWaalsContact O-CA 3.26Å; V554-T570 WeakPolarHBondContact O-CA 3.36Å; V554-E571 PolarHBondContact N-O 3.14Å; V554-E571 PolarHBondContact O-N 2.89Å
555A98.2Very high91.3Very high1 Ų131.5 Ų31.51%0.00821%0.206CC..EExtended strand (participates in β ladder)trans-131.6119.2177.800000111T546 F547 F549 Y569 T570 I595T546-A555 CarbonylContact C-O 3.44Å; T546-A555 VanDerWaalsContact CA-O 3.29Å; T546-A555 WeakPolarHBondContact CA-O 3.4Å; F547-A555 PolarHBondContact N-O 3.48Å; F547-A555 PolarHBondContact O-N 3.38Å; F549-A555 HydrophobicContact CE2-CB 3.86Å; A555-Y569 CarbonylContact C-O 3.55Å; A555-Y569 VanDerWaalsContact CA-O 3.32Å; A555-Y569 WeakPolarHBondContact CA-O 3.48Å; A555-T570 HydrophobicContact CB-CG2 3.87Å; A555-I595 HydrophobicContact CB-CD1 3.41Å; A555-I595 VanDerWaalsContact CB-CD1 3.41Å
556T97.9Very high91.1Very high2 Ų231.5 Ų31.51%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-107.7118.6173.6-60.90000110.2V378 M544 I545 T546 Y568 Y569V378-T556 HydrophobicContact CG1-CG2 3.99Å; M544-T556 HydrophobicContact CE-CG2 3.71Å; M544-T556 HydrophobicContact CG-CG2 4.11Å; I545-T556 CarbonylContact O-C 3.55Å; I545-T556 WeakPolarHBondContact O-CA 3.22Å; T546-T556 WeakPolarHBondContact CG2-OG1 3.36Å; T546-T556 PolarHBondContact OG1-OG1 3.13Å; T556-Y568 CarbonylContact O-C 3.57Å; T556-Y568 VanDerWaalsContact O-CA 3.26Å; T556-Y568 WeakPolarHBondContact O-CA 3.48Å; T556-Y569 PolarHBondContact N-O 2.87Å; T556-Y569 PolarHBondContact O-N 2.95Å
557M97Very high91Very high1 Ų133.9 Ų33.91%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-102.3128.8173.5-59.5169.97400109.1L492 F493 L496 M544 I545 F547 K567 F599 F600L492-M557 HydrophobicContact CD2-CE 4.14Å; F493-M557 HydrophobicContact CE1-CB 4.21Å; F493-M557 HydrophobicContact CZ-CB 4.32Å; L496-M557 HydrophobicContact CD1-CE 3.9Å; L496-M557 HydrophobicContact CD1-SD 3.96Å; M544-M557 CarbonylContact C-O 3.38Å; M544-M557 VanDerWaalsContact CA-O 3.32Å; M544-M557 WeakPolarHBondContact CA-O 3.33Å; I545-M557 PolarHBondContact N-O 3.04Å; I545-M557 PolarHBondContact O-N 3.14Å; F547-M557 HydrophobicContact CE2-SD 4.16Å; M557-K567 WeakPolarHBondContact CA-O 3.37Å; M557-F599 HydrophobicContact CE-CB 3.99Å; M557-F599 HydrophobicContact SD-CB 4.05Å; M557-F599 HydrophobicContact SD-CD2 4.01Å; M557-F600 HydrophobicContact CB-CZ 4.3Å; M557-F600 HydrophobicContact CE-CD1 3.91Å; M557-F600 HydrophobicContact CE-CD2 3.7Å; M557-F600 HydrophobicContact CE-CE1 3.61Å; M557-F600 HydrophobicContact CE-CE2 3.37Å; M557-F600 HydrophobicContact CE-CG 3.95Å; M557-F600 HydrophobicContact CE-CZ 3.32Å; M557-F600 HydrophobicContact CG-CE2 3.95Å; M557-F600 HydrophobicContact CG-CZ 3.86Å; M557-F600 HydrophobicContact SD-CE2 4.16Å; M557-F600 HydrophobicContact SD-CZ 4.33Å
558R95.1Very high90.9Very high56 Ų5634.8 Ų34.821%0.21122%0.219CC..EExtended strand (participates in β ladder)trans-148.7157.4179.561.7165.5-70.6175.33.1114.1T399 Q543 M544 I566 K567 Y569T399-R558 PolarHBondContact OG1-NH1 3.24Å; T399-R558 VanDerWaalsContact OG1-NH1 3.1Å; Q543-R558 CarbonylContact O-C 3.37Å; Q543-R558 WeakPolarHBondContact O-CA 3.34Å; Q543-R558 WeakPolarHBondContact O-CB 3.34Å; M544-R558 HydrophobicContact CB-CB 4.14Å; M544-R558 HydrophobicContact CG-CB 4.13Å; R558-I566 CarbonylContact O-C 3.45Å; R558-I566 WeakPolarHBondContact O-CA 3.33Å; R558-K567 HydrophobicContact CG-CB 4.28Å; R558-K567 PolarHBondContact N-O 3.05Å; R558-K567 PolarHBondContact O-N 2.98Å; R558-Y569 HydrophobicContact CG-CE2 4.12Å
559T91.9Very high90.9Very high23 Ų2334.2 Ų34.214%0.14121%0.213CC..EExtended strand (participates in β ladder)trans-82.7150.1167.551.30000111.7I489 F493 Q543I489-T559 HydrophobicContact CG2-CG2 3.52Å; F493-T559 HydrophobicContact CE2-CG2 4.13Å; Q543-T559 HydrophobicContact CB-CG2 3.81Å; Q543-T559 HydrophobicContact CG-CG2 3.95Å; Q543-T559 PolarHBondContact N-OG1 3.19Å; Q543-T559 PolarHBondContact O-N 2.98Å
560S82.4Confident90.8Very high19 Ų1934.1 Ų34.113%0.13321%0.213CC..  trans-81.6136.3164.9-175.70000109.3E563 K565S560-E563 WeakPolarHBondContact CB-O 3.4Å; S560-E563 PolarHBondContact OG-N 3.45Å; S560-K565 PolarHBondContact N-O 3.41Å
561G70.4Confident90.9Very high77 Ų7731.1 Ų31.179%0.79419%0.186SC*.SBendtrans-78.5-20.5178.100000113.5
562T65.1Low91.1Very high108 Ų10828.7 Ų28.766%0.66317%0.173SC*.SBendtrans-115.5-10.8-173.757.20000113.4
563E71.8Confident91.1Very high76 Ų7629 Ų2936%0.35517%0.171SC..SBendtrans-134.8150.3-174.6-60176.694.900109.6S560 K565S560-E563 WeakPolarHBondContact CB-O 3.4Å; S560-E563 PolarHBondContact OG-N 3.45Å; E563-K565 HydrophobicContact CB-CB 4.35Å; E563-K565 HydrophobicContact CB-CD 3.97Å; E563-K565 HydrophobicContact CB-CG 3.99Å; E563-K565 PolarHBondContact O-N 2.6Å; E563-K565 WeakPolarHBondContact OE1-CE 3.44Å; E563-K565 IonicContact OE1-NZ 3.21Å; E563-K565 PolarHBondContact OE1-NZ 2.67Å; E563-K565 IonicContact OE2-NZ 2.77Å
564P83.3Confident91Very high49 Ų4929.5 Ų29.532%0.31818%0.175SC..SBendtrans-75.855.3176.533-35.5000110.9I482 C483 H484I482-P564 CarbonylContact C-O 3.58Å; I482-P564 WeakPolarHBondContact CA-O 3.47Å; I482-P564 HydrophobicContact CG2-CG 4.47Å; C483-P564 PolarHBondContact N-O 3.15Å; C483-P564 CarbonylContact O-C 3.51Å; C483-P564 WeakPolarHBondContact O-CB 3.42Å; H484-P564 VanDerWaalsContact CE1-CG 3.4Å; H484-P564 WeakPolarHBondContact CE1-CG 3.48Å
565K89.8Confident90.7Very high37 Ų3732 Ų3216%0.16120%0.197CC..EExtended strand (participates in β ladder)trans-121.8137.5-173.3-68.5177.5179.6171.40111.1Y480 F481 I482 S560 E563Y480-K565 HydrophobicContact CD2-CB 4.47Å; Y480-K565 HydrophobicContact CD2-CD 3.77Å; Y480-K565 HydrophobicContact CD2-CG 3.95Å; Y480-K565 HydrophobicContact CE2-CD 3.88Å; Y480-K565 HydrophobicContact CE2-CG 4.32Å; Y480-K565 HydrophobicContact CG-CD 4.15Å; F481-K565 CarbonylContact O-C 3.58Å; F481-K565 VanDerWaalsContact O-CA 3.23Å; F481-K565 WeakPolarHBondContact O-CA 2.98Å; I482-K565 HydrophobicContact CG1-CG 4.35Å; S560-K565 PolarHBondContact N-O 3.41Å; E563-K565 HydrophobicContact CB-CB 4.35Å; E563-K565 HydrophobicContact CB-CD 3.97Å; E563-K565 HydrophobicContact CB-CG 3.99Å; E563-K565 PolarHBondContact O-N 2.6Å; E563-K565 WeakPolarHBondContact OE1-CE 3.44Å; E563-K565 IonicContact OE1-NZ 3.21Å; E563-K565 PolarHBondContact OE1-NZ 2.67Å; E563-K565 IonicContact OE2-NZ 2.77Å
566I94.3Very high90.5Very high0 Ų035.9 Ų35.90%022%0.222CC..EExtended strand (participates in β ladder)trans-106.2113.3165-39.6173.9000107.1Y480 F481 C483 I489 L492 F493 R558 F600 L607Y480-I566 CarbonylContact C-O 3.59Å; Y480-I566 VanDerWaalsContact CA-O 3.24Å; Y480-I566 WeakPolarHBondContact CA-O 3.34Å; Y480-I566 WeakPolarHBondContact CB-O 3.49Å; F481-I566 PolarHBondContact N-O 3.18Å; F481-I566 PolarHBondContact O-N 3.18Å; C483-I566 HydrophobicContact CB-CD1 4.15Å; C483-I566 HydrophobicContact CB-CG1 4.33Å; I489-I566 HydrophobicContact CD1-CG1 4.4Å; I489-I566 HydrophobicContact CG1-CD1 3.88Å; I489-I566 HydrophobicContact CG1-CG1 4.13Å; L492-I566 HydrophobicContact CD1-CD1 4.22Å; F493-I566 HydrophobicContact CE2-CG2 3.9Å; F493-I566 HydrophobicContact CZ-CG2 4.02Å; R558-I566 CarbonylContact O-C 3.45Å; R558-I566 WeakPolarHBondContact O-CA 3.33Å; I566-F600 HydrophobicContact CB-CE1 4.16Å; I566-F600 HydrophobicContact CG2-CE1 3.66Å; I566-F600 HydrophobicContact CG2-CZ 4.39Å; I566-L607 HydrophobicContact CD1-CD2 4.01Å
567K95.1Very high90.1Very high51 Ų5139.4 Ų39.422%0.22226%0.259CS..EExtended strand (participates in β ladder)trans-96.3146.7-176.9-53.9-169.4178.2-175.30110.1M557 R558 Y569M557-K567 WeakPolarHBondContact CA-O 3.37Å; R558-K567 HydrophobicContact CG-CB 4.28Å; R558-K567 PolarHBondContact N-O 3.05Å; R558-K567 PolarHBondContact O-N 2.98Å; K567-Y569 HydrophobicContact CB-CD2 4.47Å; K567-Y569 HydrophobicContact CB-CE2 3.72Å; K567-Y569 HydrophobicContact CD-CE2 4.29Å; K567-Y569 WeakPolarHBondContact CD-OH 3.34Å
568Y96.3Very high89.7Confident19 Ų1942.6 Ų42.68%0.07528%0.276CS..EExtended strand (participates in β ladder)trans-126.2141.516462.5-96.2000111.2N478 S479 F481 T556 T570 V592 V596 F600N478-Y568 WeakPolarHBondContact CA-O 3.43Å; S479-Y568 VanDerWaalsContact CB-OH 3.26Å; S479-Y568 WeakPolarHBondContact CB-OH 3.2Å; S479-Y568 PolarHBondContact N-O 2.99Å; S479-Y568 PolarHBondContact O-N 3.33Å; S479-Y568 VanDerWaalsContact O-O 3.13Å; F481-Y568 HydrophobicContact CD2-CE1 4.38Å; F481-Y568 HydrophobicContact CE2-CD1 4.31Å; F481-Y568 AromaticContact CE2-CE1 3.86Å; F481-Y568 HydrophobicContact CE2-CE1 3.86Å; T556-Y568 CarbonylContact O-C 3.57Å; T556-Y568 VanDerWaalsContact O-CA 3.26Å; T556-Y568 WeakPolarHBondContact O-CA 3.48Å; Y568-T570 HydrophobicContact CD2-CG2 4.07Å; Y568-V592 HydrophobicContact CE2-CG1 3.88Å; Y568-V596 HydrophobicContact CE1-CG2 4.34Å; Y568-F600 HydrophobicContact CD1-CD2 4.44Å; Y568-F600 AromaticContact CD1-CE2 3.64Å; Y568-F600 HydrophobicContact CD1-CE2 3.64Å; Y568-F600 AromaticContact CD1-CZ 3.77Å; Y568-F600 HydrophobicContact CD1-CZ 3.77Å; Y568-F600 AromaticContact CG-CE2 4Å; Y568-F600 HydrophobicContact CG-CE2 4Å; Y568-F600 HydrophobicContact CG-CZ 4.23Å
569Y97.6Very high89.4Confident27 Ų2743.3 Ų43.311%0.10629%0.29CS..EExtended strand (participates in β ladder)trans-122.5116.7176.6-60.9-95.5000107V378 E424 N478 A555 T556 R558 K567V378-Y569 HydrophobicContact CB-CD1 3.75Å; V378-Y569 HydrophobicContact CB-CD2 3.85Å; V378-Y569 HydrophobicContact CB-CE1 4.09Å; V378-Y569 HydrophobicContact CB-CE2 4.18Å; V378-Y569 HydrophobicContact CB-CG 3.63Å; V378-Y569 HydrophobicContact CG1-CD1 4.42Å; V378-Y569 HydrophobicContact CG1-CD2 3.58Å; V378-Y569 HydrophobicContact CG1-CE2 3.89Å; V378-Y569 HydrophobicContact CG1-CG 3.88Å; V378-Y569 HydrophobicContact CG2-CD1 4.24Å; V378-Y569 HydrophobicContact CG2-CE1 4.11Å; E424-Y569 HydrophobicContact CG-CE1 4.44Å; E424-Y569 WeakPolarHBondContact OE1-CE1 3.26Å; N478-Y569 HydrophobicContact CB-CD1 4.03Å; N478-Y569 HydrophobicContact CB-CE1 4.46Å; N478-Y569 VanDerWaalsContact OD1-CA 3.3Å; N478-Y569 WeakPolarHBondContact OD1-CA 3.29Å; A555-Y569 CarbonylContact C-O 3.55Å; A555-Y569 VanDerWaalsContact CA-O 3.32Å; A555-Y569 WeakPolarHBondContact CA-O 3.48Å; T556-Y569 PolarHBondContact N-O 2.87Å; T556-Y569 PolarHBondContact O-N 2.95Å; R558-Y569 HydrophobicContact CG-CE2 4.12Å; K567-Y569 HydrophobicContact CB-CD2 4.47Å; K567-Y569 HydrophobicContact CB-CE2 3.72Å; K567-Y569 HydrophobicContact CD-CE2 4.29Å; K567-Y569 WeakPolarHBondContact CD-OH 3.34Å
570T98.1Very high89.5Confident1 Ų146.4 Ų46.41%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-120.1140.2179.664.90000110.5S476 K477 N478 V554 A555 Y568 V592 I595S476-T570 CarbonylContact C-O 3.55Å; S476-T570 WeakPolarHBondContact CA-O 3.36Å; S476-T570 WeakPolarHBondContact CB-O 3.37Å; K477-T570 PolarHBondContact N-O 3.4Å; K477-T570 PolarHBondContact O-N 3.43Å; K477-T570 VanDerWaalsContact O-N 3.17Å; K477-T570 PolarHBondContact O-OG1 2.92Å; N478-T570 PolarHBondContact OD1-N 3.31Å; V554-T570 CarbonylContact O-C 3.57Å; V554-T570 VanDerWaalsContact O-CA 3.26Å; V554-T570 WeakPolarHBondContact O-CA 3.36Å; A555-T570 HydrophobicContact CB-CG2 3.87Å; Y568-T570 HydrophobicContact CD2-CG2 4.07Å; T570-V592 HydrophobicContact CG2-CG2 4.04Å; T570-V592 WeakPolarHBondContact OG1-CG2 3.48Å; T570-I595 HydrophobicContact CG2-CD1 3.95Å
571E98.3Very high90Very high11 Ų1147.6 Ų47.65%0.05131%0.312CS..EExtended strand (participates in β ladder)trans-141134176.9-176.9-176.6-161.100109.5S380 K381 H474 I475 G553 V554 C573S380-E571 VanDerWaalsContact CA-OE1 3.26Å; S380-E571 WeakPolarHBondContact CA-OE1 3.29Å; S380-E571 VanDerWaalsContact CA-OE2 3.3Å; S380-E571 WeakPolarHBondContact CA-OE2 2.99Å; S380-E571 WeakPolarHBondContact CB-OE1 3.35Å; S380-E571 PolarHBondContact OG-OE1 2.85Å; K381-E571 WeakPolarHBondContact CG-OE2 3.42Å; K381-E571 PolarHBondContact N-OE1 2.86Å; K381-E571 PolarHBondContact N-OE2 2.95Å; H474-E571 WeakPolarHBondContact CB-OE1 3.44Å; H474-E571 IonicContact CE1-OE1 3.48Å; H474-E571 IonicContact CG-OE1 3.74Å; H474-E571 IonicContact ND1-OE1 3.68Å; H474-E571 PolarHBondContact ND1-OE1 3.04Å; I475-E571 CarbonylContact O-C 3.58Å; I475-E571 VanDerWaalsContact O-CA 3.24Å; I475-E571 WeakPolarHBondContact O-CA 3.39Å; G553-E571 CarbonylContact C-O 3.55Å; G553-E571 WeakPolarHBondContact CA-O 3.4Å; V554-E571 PolarHBondContact N-O 3.14Å; V554-E571 PolarHBondContact O-N 2.89Å; E571-C573 VanDerWaalsContact CD-SG 3.58Å
572L98.1Very high91.2Very high4 Ų449.3 Ų49.32%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-98.6117.2165.3-175.265000108.6I475 L584 E587 L588I475-L572 PolarHBondContact N-O 2.88Å; I475-L572 VanDerWaalsContact N-O 3.11Å; I475-L572 PolarHBondContact O-N 3.39Å; L572-L584 HydrophobicContact CD2-CB 4.2Å; L572-L584 HydrophobicContact CD2-CD2 3.83Å; L572-L584 VanDerWaalsContact CD2-O 3.31Å; L572-L584 WeakPolarHBondContact CD2-O 3.27Å; L572-E587 HydrophobicContact CD2-CB 3.94Å; L572-E587 HydrophobicContact CD2-CG 4.02Å; L572-L588 HydrophobicContact CB-CB 4.16Å; L572-L588 HydrophobicContact CB-CD1 4.16Å; L572-L588 HydrophobicContact CD2-CB 4.49Å
573C97.3Very high92.7Very high30 Ų3048.7 Ų48.720%0.20330%0.296CS..EExtended strand (participates in β ladder)trans-99.192.8176.1-55.30000109H474 G552 E571H474-C573 VanDerWaalsContact CE1-SG 3.59Å; G552-C573 WeakPolarHBondContact O-CB 3.45Å; G552-C573 PolarHBondContact O-N 3.17Å; E571-C573 VanDerWaalsContact CD-SG 3.58Å
574A95.8Very high93.9Very high10 Ų1045.3 Ų45.38%0.08328%0.281CS..PPolyproline II helixtrans-79.5140.5178.400000110.9G472 Y473 N578 L584G472-A574 CarbonylContact C-O 3.53Å; G472-A574 WeakPolarHBondContact CA-O 3.42Å; Y473-A574 PolarHBondContact N-O 3.31Å; Y473-A574 PolarHBondContact O-N 3.23Å; A574-N578 HydrophobicContact CB-CB 4.37Å; A574-L584 HydrophobicContact CB-CD1 3.87Å; A574-L584 HydrophobicContact CB-CD2 3.7Å; A574-L584 HydrophobicContact CB-CG 4.45Å
575A92Very high94.5Very high70 Ų7048.3 Ų48.358%0.57929%0.289SS*.PPolyproline II helixtrans-66.2152.1173.900000111.6G577 N578A575-G577 PolarHBondContact O-N 3.18Å; A575-N578 PolarHBondContact O-N 2.84Å
576P92.4Very high94.9Very high82 Ų8251.8 Ų51.853%0.53230%0.304SS..THydrogen-bonded Turntrans-49.2140.1171-26.132.2000112.3
577G89.9Confident95Very high76 Ų7653.1 Ų53.178%0.78431%0.31SS*.THydrogen-bonded Turntrans90.3-15.2-176.200000115.2A575 S579A575-G577 PolarHBondContact O-N 3.18Å; G577-S579 PolarHBondContact O-N 2.97Å
578N88.7Confident95.2Very high69 Ų6950.9 Ų50.937%0.36930%0.301SS..  trans-91.496.4167.1-171.2-6000109.9Y473 A574 A575Y473-N578 WeakPolarHBondContact CD2-O 3.22Å; A574-N578 HydrophobicContact CB-CB 4.37Å; A575-N578 PolarHBondContact O-N 2.84Å
579S89.2Confident95.2Very high70 Ų7052.9 Ų52.949%0.4931%0.313SS..  trans-116.56.1-170.363.40000114.8G577 V581G577-S579 PolarHBondContact O-N 2.97Å; S579-V581 VanDerWaalsContact C-N 3.32Å; S579-V581 PolarHBondContact O-N 2.59Å
580D94.1Very high95.3Very high89 Ų8953.7 Ų53.748%0.47632%0.319SS..  trans-76.586.5173.8-174-14.1000110T582 H583 L584D580-T582 PolarHBondContact O-N 3.26Å; D580-T582 WeakPolarHBondContact OD1-CB 3.41Å; D580-T582 PolarHBondContact OD1-N 3.11Å; D580-H583 HydrophobicContact CB-CB 3.98Å; D580-H583 PolarHBondContact O-N 3.19Å; D580-H583 VanDerWaalsContact O-N 3.16Å; D580-H583 PolarHBondContact OD1-N 3.12Å; D580-L584 VanDerWaalsContact O-CG 3.31Å; D580-L584 WeakPolarHBondContact O-CG 3.22Å; D580-L584 PolarHBondContact O-N 3.26Å
581V92.6Very high95.3Very high44 Ų4453.6 Ų53.627%0.26732%0.318SS..Hα-helixtrans-57.6-30.7-179.4-1780000112.3Y473 I475 S579 K585Y473-V581 HydrophobicContact CD1-CG2 3.8Å; Y473-V581 HydrophobicContact CE1-CG2 3.33Å; I475-V581 HydrophobicContact CD1-CG1 4.21Å; S579-V581 VanDerWaalsContact C-N 3.32Å; S579-V581 PolarHBondContact O-N 2.59Å; V581-K585 HydrophobicContact CG1-CD 4.07Å; V581-K585 HydrophobicContact CG1-CG 4.33Å; V581-K585 WeakPolarHBondContact O-CB 3.4Å; V581-K585 VanDerWaalsContact O-CG 3.24Å; V581-K585 WeakPolarHBondContact O-CG 3.5Å; V581-K585 PolarHBondContact O-N 3.34Å
582T95.6Very high95.3Very high113 Ų11353.2 Ų53.269%0.69332%0.317SS*.Hα-helixtrans-70-46.7179.5-54.30000109.9D580 K585 K586D580-T582 PolarHBondContact O-N 3.26Å; D580-T582 WeakPolarHBondContact OD1-CB 3.41Å; D580-T582 PolarHBondContact OD1-N 3.11Å; T582-K585 PolarHBondContact O-N 3.04Å; T582-K586 PolarHBondContact O-N 3.01Å; T582-K586 VanDerWaalsContact O-N 3.08Å
583H96.2Very high95.3Very high94 Ų9457.6 Ų57.644%0.43534%0.34SS..Hα-helixtrans-62.5-45.9174.6179.263.4000111.8D580 K585 K586 E587D580-H583 HydrophobicContact CB-CB 3.98Å; D580-H583 PolarHBondContact O-N 3.19Å; D580-H583 VanDerWaalsContact O-N 3.16Å; D580-H583 PolarHBondContact OD1-N 3.12Å; H583-K585 PolarHBondContact O-N 3.39Å; H583-K586 WeakPolarHBondContact O-CB 3.3Å; H583-K586 PolarHBondContact O-N 3.38Å; H583-K586 VanDerWaalsContact O-N 3.17Å; H583-E587 WeakPolarHBondContact O-CB 3.41Å; H583-E587 PolarHBondContact O-N 3.31Å
584L96.8Very high95.3Very high6 Ų656.6 Ų56.63%0.03133%0.334CS..Hα-helixtrans-61.5-41.1179-68.6175.8000112.8Y473 I475 L572 A574 D580 E587 L588Y473-L584 HydrophobicContact CD2-CD1 4.47Å; Y473-L584 HydrophobicContact CG-CD1 4.05Å; I475-L584 HydrophobicContact CD1-CB 3.55Å; I475-L584 HydrophobicContact CD1-CD1 4.31Å; L572-L584 HydrophobicContact CD2-CB 4.2Å; L572-L584 HydrophobicContact CD2-CD2 3.83Å; L572-L584 VanDerWaalsContact CD2-O 3.31Å; L572-L584 WeakPolarHBondContact CD2-O 3.27Å; A574-L584 HydrophobicContact CB-CD1 3.87Å; A574-L584 HydrophobicContact CB-CD2 3.7Å; A574-L584 HydrophobicContact CB-CG 4.45Å; D580-L584 VanDerWaalsContact O-CG 3.31Å; D580-L584 WeakPolarHBondContact O-CG 3.22Å; D580-L584 PolarHBondContact O-N 3.26Å; L584-E587 PolarHBondContact O-N 2.97Å; L584-L588 PolarHBondContact O-N 3.12Å
585K96.8Very high95.4Very high111 Ų11156.1 Ų56.148%0.48333%0.33SS..Hα-helixtrans-61.8-45.2173.7-78.9174.7178.1177.40111.4I475 V581 T582 H583 E587 L588 D589I475-K585 HydrophobicContact CD1-CG 4Å; I475-K585 HydrophobicContact CG2-CG 4.12Å; V581-K585 HydrophobicContact CG1-CD 4.07Å; V581-K585 HydrophobicContact CG1-CG 4.33Å; V581-K585 WeakPolarHBondContact O-CB 3.4Å; V581-K585 VanDerWaalsContact O-CG 3.24Å; V581-K585 WeakPolarHBondContact O-CG 3.5Å; V581-K585 PolarHBondContact O-N 3.34Å; T582-K585 PolarHBondContact O-N 3.04Å; H583-K585 PolarHBondContact O-N 3.39Å; K585-E587 VanDerWaalsContact C-N 3.34Å; K585-E587 PolarHBondContact O-N 2.84Å; K585-L588 PolarHBondContact O-N 3.14Å; K585-D589 WeakPolarHBondContact O-CB 3.5Å; K585-D589 PolarHBondContact O-N 2.96Å
586K97.3Very high95.7Very high110 Ų11054.2 Ų54.248%0.47831%0.311SS..Hα-helixtrans-62-42.2177-164.1-154.6174.6-54.50111.8T582 H583 L588 D589 D590T582-K586 PolarHBondContact O-N 3.01Å; T582-K586 VanDerWaalsContact O-N 3.08Å; H583-K586 WeakPolarHBondContact O-CB 3.3Å; H583-K586 PolarHBondContact O-N 3.38Å; H583-K586 VanDerWaalsContact O-N 3.17Å; K586-L588 VanDerWaalsContact C-N 3.32Å; K586-L588 PolarHBondContact O-N 2.85Å; K586-D589 PolarHBondContact O-N 3.35Å; K586-D590 IonicContact NZ-OD1 3.3Å; K586-D590 PolarHBondContact NZ-OD1 3.04Å; K586-D590 IonicContact NZ-OD2 2.98Å; K586-D590 PolarHBondContact NZ-OD2 3.34Å; K586-D590 WeakPolarHBondContact O-CB 3.34Å; K586-D590 VanDerWaalsContact O-CG 3.27Å; K586-D590 PolarHBondContact O-N 3.47Å
587E97.4Very high95.9Very high29 Ų2956.9 Ų56.914%0.13632%0.316CS..Hα-helixtrans-61.7-41.2177.5-173.271.2-173.500111.5R512 F513 N551 L572 H583 L584 K585 L591R512-E587 IonicContact CZ-OE1 2.65Å; R512-E587 IonicContact CZ-OE2 3.29Å; R512-E587 IonicContact NH1-OE1 2.71Å; R512-E587 PolarHBondContact NH1-OE1 3.24Å; R512-E587 IonicContact NH1-OE2 3.92Å; R512-E587 PolarHBondContact NH1-OE2 3.34Å; R512-E587 IonicContact NH2-OE1 3.59Å; R512-E587 IonicContact NH2-OE2 2.85Å; R512-E587 PolarHBondContact NH2-OE2 3.18Å; F513-E587 HydrophobicContact CE1-CG 4.47Å; F513-E587 VanDerWaalsContact CE1-OE1 3.31Å; F513-E587 WeakPolarHBondContact CE1-OE1 3.47Å; N551-E587 PolarHBondContact ND2-OE1 3.02Å; N551-E587 VanDerWaalsContact ND2-OE1 3.15Å; L572-E587 HydrophobicContact CD2-CB 3.94Å; L572-E587 HydrophobicContact CD2-CG 4.02Å; H583-E587 WeakPolarHBondContact O-CB 3.41Å; H583-E587 PolarHBondContact O-N 3.31Å; L584-E587 PolarHBondContact O-N 2.97Å; K585-E587 VanDerWaalsContact C-N 3.34Å; K585-E587 PolarHBondContact O-N 2.84Å; E587-L591 PolarHBondContact O-N 3.07Å; E587-L591 VanDerWaalsContact O-N 3.09Å
588L98Very high96.2Very high4 Ų456.2 Ų56.22%0.02130%0.295CS..Hα-helixtrans-66.6-43.2174179.262.6000112I475 K477 L572 L584 K585 K586 L591 V592I475-L588 HydrophobicContact CB-CD2 4.15Å; I475-L588 HydrophobicContact CG2-CD2 3.78Å; I475-L588 VanDerWaalsContact O-CD2 3.27Å; I475-L588 WeakPolarHBondContact O-CD2 3.46Å; K477-L588 HydrophobicContact CB-CD2 3.98Å; K477-L588 HydrophobicContact CB-CG 4.37Å; L572-L588 HydrophobicContact CB-CB 4.16Å; L572-L588 HydrophobicContact CB-CD1 4.16Å; L572-L588 HydrophobicContact CD2-CB 4.49Å; L584-L588 PolarHBondContact O-N 3.12Å; K585-L588 PolarHBondContact O-N 3.14Å; K586-L588 VanDerWaalsContact C-N 3.32Å; K586-L588 PolarHBondContact O-N 2.85Å; L588-L591 WeakPolarHBondContact O-CB 3.31Å; L588-L591 PolarHBondContact O-N 2.92Å; L588-V592 HydrophobicContact CD1-CG2 4.33Å; L588-V592 HydrophobicContact CG-CG2 4.45Å; L588-V592 VanDerWaalsContact O-CG2 3.28Å; L588-V592 WeakPolarHBondContact O-CG2 3.29Å; L588-V592 PolarHBondContact O-N 3Å
589D98.1Very high96.6Very high61 Ų6153 Ų5333%0.32628%0.277SS..Hα-helixtrans-59.5-47177.1-75-31.1000111.1K477 K585 K586 L591 V592 D593K477-D589 WeakPolarHBondContact CD-OD1 3.45Å; K477-D589 IonicContact NZ-OD1 2.65Å; K477-D589 PolarHBondContact NZ-OD1 2.82Å; K585-D589 WeakPolarHBondContact O-CB 3.5Å; K585-D589 PolarHBondContact O-N 2.96Å; K586-D589 PolarHBondContact O-N 3.35Å; D589-L591 VanDerWaalsContact C-N 3.28Å; D589-L591 PolarHBondContact O-N 3.37Å; D589-V592 PolarHBondContact O-N 3.01Å; D589-D593 PolarHBondContact O-N 3.4Å
590D98.2Very high97Very high43 Ų4349.6 Ų49.623%0.2325%0.254CS..Hα-helixtrans-59.4-38.3175.4-69.7-4.3000111.7R512 F513 K586 A594R512-D590 IonicContact CZ-OD2 3.37Å; R512-D590 IonicContact NH2-OD2 3.47Å; R512-D590 PolarHBondContact NH2-OD2 3.25Å; F513-D590 HydrophobicContact CE2-CB 4.2Å; F513-D590 WeakPolarHBondContact CE2-O 3.39Å; F513-D590 HydrophobicContact CZ-CB 3.8Å; K586-D590 IonicContact NZ-OD1 3.3Å; K586-D590 PolarHBondContact NZ-OD1 3.04Å; K586-D590 IonicContact NZ-OD2 2.98Å; K586-D590 PolarHBondContact NZ-OD2 3.34Å; K586-D590 WeakPolarHBondContact O-CB 3.34Å; K586-D590 VanDerWaalsContact O-CG 3.27Å; K586-D590 PolarHBondContact O-N 3.47Å; D590-A594 WeakPolarHBondContact O-CB 3.34Å; D590-A594 PolarHBondContact O-N 2.9Å
591L98.4Very high97.1Very high0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-67.2-43.6176.1175.761.6000111.8F513 F549 E587 L588 D589 D593 A594 I595F513-L591 HydrophobicContact CB-CD1 3.94Å; F513-L591 HydrophobicContact CD1-CB 4.42Å; F513-L591 HydrophobicContact CD1-CD1 4.04Å; F513-L591 HydrophobicContact CD2-CB 4.35Å; F513-L591 HydrophobicContact CD2-CD1 3.75Å; F513-L591 HydrophobicContact CE1-CB 4.02Å; F513-L591 HydrophobicContact CE1-CD1 4.47Å; F513-L591 HydrophobicContact CE2-CB 3.98Å; F513-L591 HydrophobicContact CE2-CD1 4.25Å; F513-L591 HydrophobicContact CG-CD1 3.64Å; F513-L591 HydrophobicContact CZ-CB 3.79Å; F549-L591 HydrophobicContact CD1-CD1 4.08Å; F549-L591 HydrophobicContact CD2-CD1 4.01Å; F549-L591 HydrophobicContact CD2-CD2 4.02Å; F549-L591 HydrophobicContact CE1-CD1 3.92Å; F549-L591 HydrophobicContact CE2-CD1 3.86Å; F549-L591 HydrophobicContact CE2-CD2 4.3Å; F549-L591 HydrophobicContact CG-CD1 4.11Å; F549-L591 HydrophobicContact CZ-CD1 3.82Å; E587-L591 PolarHBondContact O-N 3.07Å; E587-L591 VanDerWaalsContact O-N 3.09Å; L588-L591 WeakPolarHBondContact O-CB 3.31Å; L588-L591 PolarHBondContact O-N 2.92Å; D589-L591 VanDerWaalsContact C-N 3.28Å; D589-L591 PolarHBondContact O-N 3.37Å; L591-D593 VanDerWaalsContact C-N 3.33Å; L591-A594 PolarHBondContact O-N 2.91Å; L591-I595 HydrophobicContact CD1-CD1 3.96Å; L591-I595 HydrophobicContact CD1-CG1 4.31Å; L591-I595 HydrophobicContact CG-CD1 3.89Å; L591-I595 WeakPolarHBondContact O-CD1 3.46Å; L591-I595 VanDerWaalsContact O-CG1 3.31Å; L591-I595 WeakPolarHBondContact O-CG1 3.4Å; L591-I595 PolarHBondContact O-N 3.4Å
592V98.1Very high97.2Very high2 Ų247 Ų471%0.01224%0.238CC..Hα-helixtrans-61.2-44.9175.8174.40000110.4K477 Y568 T570 L588 D589 A594 I595 V596K477-V592 HydrophobicContact CB-CG2 4.17Å; K477-V592 HydrophobicContact CD-CB 4.39Å; K477-V592 HydrophobicContact CD-CG1 4.39Å; K477-V592 HydrophobicContact CD-CG2 3.9Å; K477-V592 HydrophobicContact CG-CG2 4.32Å; Y568-V592 HydrophobicContact CE2-CG1 3.88Å; T570-V592 HydrophobicContact CG2-CG2 4.04Å; T570-V592 WeakPolarHBondContact OG1-CG2 3.48Å; L588-V592 HydrophobicContact CD1-CG2 4.33Å; L588-V592 HydrophobicContact CG-CG2 4.45Å; L588-V592 VanDerWaalsContact O-CG2 3.28Å; L588-V592 WeakPolarHBondContact O-CG2 3.29Å; L588-V592 PolarHBondContact O-N 3Å; D589-V592 PolarHBondContact O-N 3.01Å; V592-A594 VanDerWaalsContact C-N 3.33Å; V592-A594 PolarHBondContact O-N 3.44Å; V592-I595 PolarHBondContact O-N 2.85Å; V592-V596 HydrophobicContact CG1-CG2 4.26Å; V592-V596 WeakPolarHBondContact O-CB 3.35Å; V592-V596 WeakPolarHBondContact O-CG2 3.49Å; V592-V596 PolarHBondContact O-N 3.1Å
593D98.1Very high97.2Very high97 Ų9748.2 Ų48.252%0.51925%0.246SC..Hα-helixtrans-60.9-44.3178-71.1-12.2000110.8D589 L591 I595 V596 E597D589-D593 PolarHBondContact O-N 3.4Å; L591-D593 VanDerWaalsContact C-N 3.33Å; D593-I595 PolarHBondContact O-N 2.89Å; D593-V596 PolarHBondContact O-N 2.88Å; D593-E597 WeakPolarHBondContact O-CB 3.5Å; D593-E597 PolarHBondContact O-N 3.46Å
594A98.2Very high97.1Very high8 Ų849.9 Ų49.97%0.06625%0.252CS..Hα-helixtrans-60.4-43.4175.200000112.3C510 F513 D590 L591 V592 E597 N598C510-A594 PolarHBondContact SG-O 3.24Å; F513-A594 HydrophobicContact CD2-CB 3.94Å; F513-A594 HydrophobicContact CE2-CB 4.07Å; D590-A594 WeakPolarHBondContact O-CB 3.34Å; D590-A594 PolarHBondContact O-N 2.9Å; L591-A594 PolarHBondContact O-N 2.91Å; V592-A594 VanDerWaalsContact C-N 3.33Å; V592-A594 PolarHBondContact O-N 3.44Å; A594-E597 PolarHBondContact O-N 3.24Å; A594-N598 VanDerWaalsContact O-CB 3.26Å; A594-N598 WeakPolarHBondContact O-CB 3.5Å; A594-N598 PolarHBondContact O-N 3.29Å; A594-N598 PolarHBondContact O-ND2 3.29Å
595I97.8Very high97Very high1 Ų150.5 Ų50.51%0.00526%0.255CS..Hα-helixtrans-64.6-44.5177.3-71.4161.2000110.7F549 A555 T570 L591 V592 D593 F599 F600F549-I595 HydrophobicContact CE2-CD1 4.25Å; F549-I595 HydrophobicContact CZ-CD1 4.26Å; F549-I595 HydrophobicContact CZ-CG1 4.32Å; A555-I595 HydrophobicContact CB-CD1 3.41Å; A555-I595 VanDerWaalsContact CB-CD1 3.41Å; T570-I595 HydrophobicContact CG2-CD1 3.95Å; L591-I595 HydrophobicContact CD1-CD1 3.96Å; L591-I595 HydrophobicContact CD1-CG1 4.31Å; L591-I595 HydrophobicContact CG-CD1 3.89Å; L591-I595 WeakPolarHBondContact O-CD1 3.46Å; L591-I595 VanDerWaalsContact O-CG1 3.31Å; L591-I595 WeakPolarHBondContact O-CG1 3.4Å; L591-I595 PolarHBondContact O-N 3.4Å; V592-I595 PolarHBondContact O-N 2.85Å; D593-I595 PolarHBondContact O-N 2.89Å; I595-F599 HydrophobicContact CG1-CD2 4.38Å; I595-F599 HydrophobicContact CG2-CB 4.3Å; I595-F599 HydrophobicContact CG2-CD2 4.36Å; I595-F599 CarbonylContact O-C 3.56Å; I595-F599 WeakPolarHBondContact O-CA 3.3Å; I595-F599 VanDerWaalsContact O-CB 3.27Å; I595-F599 WeakPolarHBondContact O-CB 3.29Å; I595-F599 PolarHBondContact O-N 3.09Å; I595-F600 HydrophobicContact CG2-CD2 3.84Å; I595-F600 HydrophobicContact CG2-CE2 3.8Å; I595-F600 PolarHBondContact O-N 3.31Å
596V97.4Very high96.9Very high29 Ų2953.7 Ų53.718%0.17627%0.269CS..Iπ-helixtrans-61.5-47.9178.2169.20000110.2F481 Y568 V592 D593 F600 E601 P602F481-V596 HydrophobicContact CE2-CG2 4.34Å; F481-V596 HydrophobicContact CZ-CG1 3.98Å; F481-V596 HydrophobicContact CZ-CG2 4.21Å; Y568-V596 HydrophobicContact CE1-CG2 4.34Å; V592-V596 HydrophobicContact CG1-CG2 4.26Å; V592-V596 WeakPolarHBondContact O-CB 3.35Å; V592-V596 WeakPolarHBondContact O-CG2 3.49Å; V592-V596 PolarHBondContact O-N 3.1Å; D593-V596 PolarHBondContact O-N 2.88Å; V596-F600 WeakPolarHBondContact O-CB 3.46Å; V596-F600 PolarHBondContact O-N 3.31Å; V596-E601 PolarHBondContact O-N 2.93Å; V596-P602 HydrophobicContact CG1-CG 3.93Å; V596-P602 WeakPolarHBondContact O-CD 3.47Å
597E97.3Very high96.8Very high138 Ų13849 Ų4965%0.64525%0.249SC*.Iπ-helixtrans-67.3-50.1-178.5-174.4177.5-163.300112.4D593 A594 E601D593-E597 WeakPolarHBondContact O-CB 3.5Å; D593-E597 PolarHBondContact O-N 3.46Å; A594-E597 PolarHBondContact O-N 3.24Å; E597-E601 WeakPolarHBondContact O-CG 3.25Å
598N96.8Very high96.6Very high62 Ų6252.7 Ų52.733%0.33227%0.266SS..Iπ-helixtrans-94.4-33.6-167.3-62.7-87000113.4R495 A594R495-N598 PolarHBondContact NH1-O 3.29Å; R495-N598 VanDerWaalsContact NH1-O 3.1Å; A594-N598 VanDerWaalsContact O-CB 3.26Å; A594-N598 WeakPolarHBondContact O-CB 3.5Å; A594-N598 PolarHBondContact O-N 3.29Å; A594-N598 PolarHBondContact O-ND2 3.29Å
599F96.8Very high96.2Very high1 Ų157 Ų570%0.00430%0.295CS..Iπ-helixtrans-99-41.8-177.3-66.80.2000112.3R495 L496 P507 C510 F547 F549 M557 I595R495-F599 PolarHBondContact NH2-O 3.37Å; L496-F599 HydrophobicContact CD1-CB 4.49Å; L496-F599 HydrophobicContact CD2-CB 4.11Å; L496-F599 HydrophobicContact CD2-CD1 3.95Å; L496-F599 HydrophobicContact CD2-CG 3.97Å; P507-F599 HydrophobicContact CB-CE1 3.79Å; P507-F599 HydrophobicContact CB-CZ 3.84Å; P507-F599 HydrophobicContact CG-CD1 4.48Å; P507-F599 HydrophobicContact CG-CE1 3.69Å; P507-F599 HydrophobicContact CG-CZ 3.84Å; C510-F599 HydrophobicContact CB-CD1 4.5Å; C510-F599 HydrophobicContact CB-CE1 3.7Å; C510-F599 HydrophobicContact CB-CE2 4.15Å; C510-F599 HydrophobicContact CB-CZ 3.51Å; F547-F599 HydrophobicContact CD1-CE2 4.05Å; F547-F599 HydrophobicContact CD1-CZ 4.42Å; F547-F599 HydrophobicContact CD2-CD2 4.16Å; F547-F599 AromaticContact CD2-CE2 3.73Å; F547-F599 HydrophobicContact CD2-CE2 3.73Å; F547-F599 HydrophobicContact CE1-CE2 4.09Å; F547-F599 HydrophobicContact CE1-CZ 4.32Å; F547-F599 AromaticContact CE2-CD2 3.97Å; F547-F599 HydrophobicContact CE2-CD2 3.97Å; F547-F599 AromaticContact CE2-CE2 3.75Å; F547-F599 HydrophobicContact CE2-CE2 3.75Å; F547-F599 AromaticContact CG-CE2 3.89Å; F547-F599 HydrophobicContact CG-CE2 3.89Å; F547-F599 HydrophobicContact CZ-CD2 4.41Å; F547-F599 AromaticContact CZ-CE2 3.93Å; F547-F599 HydrophobicContact CZ-CE2 3.93Å; F547-F599 HydrophobicContact CZ-CZ 4.44Å; F549-F599 HydrophobicContact CZ-CE2 4.41Å; M557-F599 HydrophobicContact CE-CB 3.99Å; M557-F599 HydrophobicContact SD-CB 4.05Å; M557-F599 HydrophobicContact SD-CD2 4.01Å; I595-F599 HydrophobicContact CG1-CD2 4.38Å; I595-F599 HydrophobicContact CG2-CB 4.3Å; I595-F599 HydrophobicContact CG2-CD2 4.36Å; I595-F599 CarbonylContact O-C 3.56Å; I595-F599 WeakPolarHBondContact O-CA 3.3Å; I595-F599 VanDerWaalsContact O-CB 3.27Å; I595-F599 WeakPolarHBondContact O-CB 3.29Å; I595-F599 PolarHBondContact O-N 3.09Å
600F96.7Very high95.5Very high0 Ų059.3 Ų59.30%030%0.302CS..Iπ-helixtrans-84.3-32.3177.1-77.6-82.1000113.5F481 L492 M557 I566 Y568 I595 V596 N605 L607F481-F600 HydrophobicContact CD2-CB 4.48Å; F481-F600 AromaticContact CD2-CD1 3.67Å; F481-F600 HydrophobicContact CD2-CD1 3.67Å; F481-F600 AromaticContact CD2-CE1 3.97Å; F481-F600 HydrophobicContact CD2-CE1 3.97Å; F481-F600 HydrophobicContact CD2-CG 4.02Å; F481-F600 HydrophobicContact CE2-CB 4Å; F481-F600 AromaticContact CE2-CD1 3.9Å; F481-F600 HydrophobicContact CE2-CD1 3.9Å; F481-F600 HydrophobicContact CE2-CD2 4.1Å; F481-F600 HydrophobicContact CE2-CE1 4.39Å; F481-F600 AromaticContact CE2-CG 3.74Å; F481-F600 HydrophobicContact CE2-CG 3.74Å; L492-F600 HydrophobicContact CD1-CD1 4.26Å; M557-F600 HydrophobicContact CB-CZ 4.3Å; M557-F600 HydrophobicContact CE-CD1 3.91Å; M557-F600 HydrophobicContact CE-CD2 3.7Å; M557-F600 HydrophobicContact CE-CE1 3.61Å; M557-F600 HydrophobicContact CE-CE2 3.37Å; M557-F600 HydrophobicContact CE-CG 3.95Å; M557-F600 HydrophobicContact CE-CZ 3.32Å; M557-F600 HydrophobicContact CG-CE2 3.95Å; M557-F600 HydrophobicContact CG-CZ 3.86Å; M557-F600 HydrophobicContact SD-CE2 4.16Å; M557-F600 HydrophobicContact SD-CZ 4.33Å; I566-F600 HydrophobicContact CB-CE1 4.16Å; I566-F600 HydrophobicContact CG2-CE1 3.66Å; I566-F600 HydrophobicContact CG2-CZ 4.39Å; Y568-F600 HydrophobicContact CD1-CD2 4.44Å; Y568-F600 AromaticContact CD1-CE2 3.64Å; Y568-F600 HydrophobicContact CD1-CE2 3.64Å; Y568-F600 AromaticContact CD1-CZ 3.77Å; Y568-F600 HydrophobicContact CD1-CZ 3.77Å; Y568-F600 AromaticContact CG-CE2 4Å; Y568-F600 HydrophobicContact CG-CE2 4Å; Y568-F600 HydrophobicContact CG-CZ 4.23Å; I595-F600 HydrophobicContact CG2-CD2 3.84Å; I595-F600 HydrophobicContact CG2-CE2 3.8Å; I595-F600 PolarHBondContact O-N 3.31Å; V596-F600 WeakPolarHBondContact O-CB 3.46Å; V596-F600 PolarHBondContact O-N 3.31Å; F600-N605 PolarHBondContact O-ND2 3.17Å; F600-L607 HydrophobicContact CB-CD1 4.04Å; F600-L607 HydrophobicContact CD1-CD1 3.87Å; F600-L607 HydrophobicContact CG-CD1 4.45Å
601E96.3Very high94.4Very high48 Ų4861.3 Ų61.322%0.22432%0.317CS..  trans41.455.9-175.4-59.5-179.5103.100112.2R495 V596 E597 V603 K604 N605R495-E601 IonicContact CZ-OE2 2.93Å; R495-E601 IonicContact NE-OE2 2.69Å; R495-E601 PolarHBondContact NE-OE2 3.44Å; R495-E601 VanDerWaalsContact NE-OE2 3.11Å; R495-E601 IonicContact NH1-OE2 3.42Å; R495-E601 PolarHBondContact NH1-OE2 3.21Å; R495-E601 IonicContact NH2-OE2 2.67Å; R495-E601 PolarHBondContact NH2-OE2 2.67Å; V596-E601 PolarHBondContact O-N 2.93Å; E597-E601 WeakPolarHBondContact O-CG 3.25Å; E601-V603 VanDerWaalsContact C-N 3.29Å; E601-V603 PolarHBondContact O-N 3.2Å; E601-V603 VanDerWaalsContact O-N 3.14Å; E601-K604 HydrophobicContact CB-CB 4.07Å; E601-K604 HydrophobicContact CB-CD 4.17Å; E601-K604 HydrophobicContact CG-CD 4.48Å; E601-K604 WeakPolarHBondContact O-CB 3.43Å; E601-K604 PolarHBondContact O-N 3.01Å; E601-K604 WeakPolarHBondContact OE1-CD 3.27Å; E601-K604 IonicContact OE1-NZ 2.77Å; E601-K604 PolarHBondContact OE1-NZ 2.95Å; E601-K604 IonicContact OE2-NZ 3.41Å; E601-K604 PolarHBondContact OE2-NZ 3.02Å; E601-N605 PolarHBondContact O-N 2.62Å; E601-N605 PolarHBondContact O-ND2 2.85Å
602P96.1Very high92.2Very high29 Ų2974.1 Ų74.119%0.18838%0.377CS..THydrogen-bonded Turntrans-60.2-34-163.123.1-35.5000114F481 V596 N605 K606 L607F481-P602 HydrophobicContact CE1-CB 4.04Å; F481-P602 HydrophobicContact CZ-CB 4.28Å; F481-P602 HydrophobicContact CZ-CG 4.48Å; V596-P602 HydrophobicContact CG1-CG 3.93Å; V596-P602 WeakPolarHBondContact O-CD 3.47Å; P602-N605 CarbonylContact O-C 3.57Å; P602-K606 CarbonylContact O-C 3.57Å; P602-K606 WeakPolarHBondContact O-CA 3.26Å; P602-K606 PolarHBondContact O-N 3.38Å; P602-L607 HydrophobicContact CB-CB 3.91Å; P602-L607 HydrophobicContact CB-CD1 4.32Å; P602-L607 HydrophobicContact CB-CG 4.43Å; P602-L607 PolarHBondContact O-N 3.48Å
603V94.8Very high91.9Very high140 Ų14077.8 Ų77.885%0.84840%0.395SS*.THydrogen-bonded Turntrans-65-47.3176.6177.80000111.1E601 K606E601-V603 VanDerWaalsContact C-N 3.29Å; E601-V603 PolarHBondContact O-N 3.2Å; E601-V603 VanDerWaalsContact O-N 3.14Å; V603-K606 PolarHBondContact O-N 2.88Å
604K94.3Very high91.6Very high129 Ų12976.7 Ų76.756%0.56139%0.389SS*.THydrogen-bonded Turntrans-65.6-40.9179.3179.2-173.9176.4-1720111.6E601 K606E601-K604 HydrophobicContact CB-CB 4.07Å; E601-K604 HydrophobicContact CB-CD 4.17Å; E601-K604 HydrophobicContact CG-CD 4.48Å; E601-K604 WeakPolarHBondContact O-CB 3.43Å; E601-K604 PolarHBondContact O-N 3.01Å; E601-K604 WeakPolarHBondContact OE1-CD 3.27Å; E601-K604 IonicContact OE1-NZ 2.77Å; E601-K604 PolarHBondContact OE1-NZ 2.95Å; E601-K604 IonicContact OE2-NZ 3.41Å; E601-K604 PolarHBondContact OE2-NZ 3.02Å; K604-K606 VanDerWaalsContact C-N 3.34Å
605N94.6Very high91.2Very high19 Ų1980.6 Ų80.610%0.10241%0.407CS..THydrogen-bonded Turntrans-89.94.6-178.3-66.3-39.5000113.3V488 F600 E601 P602 L607V488-N605 HydrophobicContact CG1-CB 3.91Å; V488-N605 WeakPolarHBondContact CG1-O 3.34Å; F600-N605 PolarHBondContact O-ND2 3.17Å; E601-N605 PolarHBondContact O-N 2.62Å; E601-N605 PolarHBondContact O-ND2 2.85Å; P602-N605 CarbonylContact O-C 3.57Å; N605-L607 HydrophobicContact CB-CD1 4.27Å; N605-L607 HydrophobicContact CB-CD2 4.06Å; N605-L607 HydrophobicContact CB-CG 3.77Å; N605-L607 PolarHBondContact O-N 3.32Å; N605-L607 VanDerWaalsContact O-N 3.14Å
606K94.1Very high90.9Very high177 Ų17785.2 Ų85.277%0.7743%0.43SS*.THydrogen-bonded Turntrans50.337.7-179.3-56177.4-177.4174.90113.1P602 V603 K604P602-K606 CarbonylContact O-C 3.57Å; P602-K606 WeakPolarHBondContact O-CA 3.26Å; P602-K606 PolarHBondContact O-N 3.38Å; V603-K606 PolarHBondContact O-N 2.88Å; K604-K606 VanDerWaalsContact C-N 3.34Å
607L94.5Very high90.5Very high13 Ų1388.8 Ų88.87%0.06845%0.446CS..PPolyproline II helixtrans-75.3129.6179.6-58.3-176.1000109.5F481 C483 V488 L492 I566 F600 P602 N605F481-L607 HydrophobicContact CB-CB 3.95Å; F481-L607 HydrophobicContact CB-CD1 4.29Å; F481-L607 HydrophobicContact CD1-CB 3.88Å; F481-L607 HydrophobicContact CD2-CD1 4.13Å; F481-L607 HydrophobicContact CG-CB 3.95Å; F481-L607 HydrophobicContact CG-CD1 4.11Å; C483-L607 HydrophobicContact CB-CD2 3.78Å; V488-L607 HydrophobicContact CG1-CD2 4.4Å; L492-L607 HydrophobicContact CD1-CD1 4.12Å; I566-L607 HydrophobicContact CD1-CD2 4.01Å; F600-L607 HydrophobicContact CB-CD1 4.04Å; F600-L607 HydrophobicContact CD1-CD1 3.87Å; F600-L607 HydrophobicContact CG-CD1 4.45Å; P602-L607 HydrophobicContact CB-CB 3.91Å; P602-L607 HydrophobicContact CB-CD1 4.32Å; P602-L607 HydrophobicContact CB-CG 4.43Å; P602-L607 PolarHBondContact O-N 3.48Å; N605-L607 HydrophobicContact CB-CD1 4.27Å; N605-L607 HydrophobicContact CB-CD2 4.06Å; N605-L607 HydrophobicContact CB-CG 3.77Å; N605-L607 PolarHBondContact O-N 3.32Å; N605-L607 VanDerWaalsContact O-N 3.14Å
608Q94Very high90Very high106 Ų10685.5 Ų85.550%0.49543%0.433SS..EExtended strand (participates in β ladder)trans-87.4129.4177.3-63.5174.314.300109.3F481 I482F481-Q608 CarbonylContact C-O 3.25Å; F481-Q608 VanDerWaalsContact CA-O 3.29Å; F481-Q608 WeakPolarHBondContact CA-O 3.34Å; I482-Q608 HydrophobicContact CB-CB 4.13Å; I482-Q608 PolarHBondContact N-O 3.41Å; I482-Q608 PolarHBondContact O-N 3.36Å
609P90.1Very high89.5Confident95 Ų9587.1 Ų87.162%0.61744%0.44SS*.EExtended strand (participates in β ladder)trans-65.8161.4176.828.9-34.4000111.1
610K83.3Confident89Confident108 Ų10893.8 Ų93.847%0.4747%0.474SS..PPolyproline II helixtrans-52.9130.2167.4174.4172.9-175.7-171.70109.1Y480 E612Y480-K610 HydrophobicContact CD1-CD 4.22Å; Y480-K610 HydrophobicContact CD2-CB 4.36Å; Y480-K610 HydrophobicContact CE1-CB 4.33Å; Y480-K610 HydrophobicContact CE1-CD 3.56Å; Y480-K610 HydrophobicContact CE1-CG 3.9Å; Y480-K610 HydrophobicContact CE2-CB 3.95Å; Y480-K610 HydrophobicContact CE2-CG 4.07Å; Y480-K610 PolarHBondContact O-N 3.45Å; K610-E612 PolarHBondContact O-N 3.41Å
611P74.7Confident88.3Confident86 Ų86101.6 Ų101.656%0.55851%0.513SS*.PPolyproline II helixtrans-58136.8172-21.832.3000110.5I482I482-P611 HydrophobicContact CD1-CG 4.49Å
612E53Low87.6Confident269 Ų269106.5 Ų106.5100%1.25754%0.539SS*.  trans-65.20176.1-68.4-174.8172.100113.1K610K610-E612 PolarHBondContact O-N 3.41Å

Retrieved 612 of 612 residues in 209.1 ms (Link to these results)

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