A0A087WQ05_MOUSE Loading...

Zeta-chain (TCR) associated protein kinase

AlphaFold DB , UniProt , Accession A0A087WQ05, Species MOUSE (Mus musculus, Mouse), Gene Zap70, Length 85 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
1M63.1Low92.5Very high233 Ų23380.5 Ų80.5100%1.14845%0.453SS*.  0128.70-71.3-78.7-148.300107.1
2P85.1Confident92.9Very high113 Ų11382.4 Ų82.473%0.73445%0.449SS*.  trans-63.4152172.627.5-32.4000110.6
3D93.1Very high93.2Very high44 Ų4477.4 Ų77.424%0.23543%0.428CS..  trans-62.2134.5176.1-170-61.3000109.9A5 A6 F11 Y46D3-A5 PolarHBondContact O-N 3.47Å; D3-A5 VanDerWaalsContact O-N 3.13Å; D3-A5 VanDerWaalsContact OD1-CB 3.29Å; D3-A5 WeakPolarHBondContact OD1-CB 3.44Å; D3-A5 PolarHBondContact OD1-N 3.44Å; D3-A6 HydrophobicContact CB-CB 4.43Å; D3-A6 WeakPolarHBondContact O-CB 3.4Å; D3-A6 PolarHBondContact O-N 2.81Å; D3-F11 HydrophobicContact CB-CE1 4.3Å; D3-F11 HydrophobicContact CB-CZ 4.45Å; D3-Y46 PolarHBondContact OD1-OH 3.25Å
4P94.1Very high93.5Very high69 Ų6977.3 Ų77.345%0.44844%0.435SS..THydrogen-bonded Turntrans-63-20.3-178.524.2-31.8000113.1H7 Y46P4-H7 PolarHBondContact O-CE1 3.4Å; P4-H7 PolarHBondContact O-ND1 3.4Å; P4-Y46 WeakPolarHBondContact CD-OH 3.09Å; P4-Y46 WeakPolarHBondContact CG-OH 3.48Å
5A96.9Very high93.8Very high0 Ų073.6 Ų73.60%041%0.414CS..THydrogen-bonded Turntrans-84.2-5.917400000114D3 H7 L8 F11 L36 Y46 P80D3-A5 PolarHBondContact O-N 3.47Å; D3-A5 VanDerWaalsContact O-N 3.13Å; D3-A5 VanDerWaalsContact OD1-CB 3.29Å; D3-A5 WeakPolarHBondContact OD1-CB 3.44Å; D3-A5 PolarHBondContact OD1-N 3.44Å; A5-H7 PolarHBondContact O-N 3.04Å; A5-L8 HydrophobicContact CB-CD1 4.01Å; A5-L8 VanDerWaalsContact O-CB 3.32Å; A5-L8 WeakPolarHBondContact O-CB 3.31Å; A5-L8 PolarHBondContact O-N 2.91Å; A5-F11 HydrophobicContact CB-CB 4.17Å; A5-F11 HydrophobicContact CB-CD1 3.91Å; A5-F11 HydrophobicContact CB-CD2 3.71Å; A5-F11 HydrophobicContact CB-CE1 4.14Å; A5-F11 HydrophobicContact CB-CE2 3.97Å; A5-F11 HydrophobicContact CB-CG 3.66Å; A5-F11 HydrophobicContact CB-CZ 4.15Å; A5-F11 WeakPolarHBondContact O-CB 3.41Å; A5-F11 WeakPolarHBondContact O-CD1 3.41Å; A5-L36 HydrophobicContact CB-CD2 4.11Å; A5-Y46 HydrophobicContact CB-CE1 3.81Å; A5-P80 HydrophobicContact CB-CB 4.17Å; A5-P80 HydrophobicContact CB-CG 3.8Å
6A96.6Very high94Very high63 Ų6371.6 Ų71.652%0.52141%0.406SS..THydrogen-bonded Turntrans-60.5-20.9-171.400000114.9D3D3-A6 HydrophobicContact CB-CB 4.43Å; D3-A6 WeakPolarHBondContact O-CB 3.4Å; D3-A6 PolarHBondContact O-N 2.81Å
7H96.4Very high94.3Very high139 Ų13975.6 Ų75.664%0.64441%0.414SS*.THydrogen-bonded Turntrans-88.2-8.1177.770.6-80.1000113.4P4 A5P4-H7 PolarHBondContact O-CE1 3.4Å; P4-H7 PolarHBondContact O-ND1 3.4Å; A5-H7 PolarHBondContact O-N 3.04Å
8L97.6Very high94.5Very high18 Ų1875.2 Ų75.29%0.09442%0.421CS..  trans-81.7126.9-177.5-60.2175.7000109.7A5 F10 F11 L36 P80 A81A5-L8 HydrophobicContact CB-CD1 4.01Å; A5-L8 VanDerWaalsContact O-CB 3.32Å; A5-L8 WeakPolarHBondContact O-CB 3.31Å; A5-L8 PolarHBondContact O-N 2.91Å; L8-F10 HydrophobicContact CB-CD2 4.38Å; L8-F10 HydrophobicContact CB-CE1 4.29Å; L8-F10 HydrophobicContact CB-CE2 4.06Å; L8-F10 HydrophobicContact CB-CZ 4.01Å; L8-F10 HydrophobicContact CD1-CE2 3.85Å; L8-F10 HydrophobicContact CD1-CZ 3.92Å; L8-F10 HydrophobicContact CD2-CE1 4.38Å; L8-F10 HydrophobicContact CD2-CZ 3.99Å; L8-F10 HydrophobicContact CG-CE2 4.42Å; L8-F10 HydrophobicContact CG-CZ 4.2Å; L8-F10 PolarHBondContact O-N 3.26Å; L8-F10 VanDerWaalsContact O-N 3.13Å; L8-F11 HydrophobicContact CB-CB 4.01Å; L8-F11 WeakPolarHBondContact O-CB 3.47Å; L8-F11 PolarHBondContact O-N 3.07Å; L8-L36 HydrophobicContact CD1-CD2 4.33Å; L8-P80 HydrophobicContact CD1-CB 4.22Å; L8-P80 HydrophobicContact CD1-CG 4.37Å; L8-A81 HydrophobicContact CD1-CB 4.39Å; L8-A81 HydrophobicContact CD2-CB 3.94Å
9P97.9Very high94.7Very high121 Ų12175.9 Ų75.979%0.78642%0.421SS*.THydrogen-bonded Turntrans-68.7-15.5-175.628.5-35.6000113.4
10F98Very high94.9Very high50 Ų5072.2 Ų72.222%0.21940%0.4CS..THydrogen-bonded Turntrans-102.110.2177.254-99.8000112.7L8 Y12 F34 L36 C84L8-F10 HydrophobicContact CB-CD2 4.38Å; L8-F10 HydrophobicContact CB-CE1 4.29Å; L8-F10 HydrophobicContact CB-CE2 4.06Å; L8-F10 HydrophobicContact CB-CZ 4.01Å; L8-F10 HydrophobicContact CD1-CE2 3.85Å; L8-F10 HydrophobicContact CD1-CZ 3.92Å; L8-F10 HydrophobicContact CD2-CE1 4.38Å; L8-F10 HydrophobicContact CD2-CZ 3.99Å; L8-F10 HydrophobicContact CG-CE2 4.42Å; L8-F10 HydrophobicContact CG-CZ 4.2Å; L8-F10 PolarHBondContact O-N 3.26Å; L8-F10 VanDerWaalsContact O-N 3.13Å; F10-Y12 WeakPolarHBondContact O-CD2 3.34Å; F10-F34 HydrophobicContact CB-CE2 4.43Å; F10-F34 HydrophobicContact CD1-CE2 4.38Å; F10-F34 HydrophobicContact CD1-CZ 4.3Å; F10-F34 AromaticContact CD2-CE2 3.65Å; F10-F34 HydrophobicContact CD2-CE2 3.65Å; F10-F34 HydrophobicContact CD2-CZ 4.36Å; F10-F34 HydrophobicContact CE1-CZ 4.47Å; F10-F34 AromaticContact CE2-CE2 3.93Å; F10-F34 HydrophobicContact CE2-CE2 3.93Å; F10-F34 AromaticContact CG-CE2 3.9Å; F10-F34 HydrophobicContact CG-CE2 3.9Å; F10-F34 HydrophobicContact CG-CZ 4.24Å; F10-F34 HydrophobicContact CZ-CE2 4.4Å; F10-L36 HydrophobicContact CD2-CB 3.96Å; F10-L36 HydrophobicContact CE2-CB 4.27Å; F10-L36 PolarHBondContact O-N 3.38Å; F10-C84 HydrophobicContact CE2-CB 3.99Å; F10-C84 HydrophobicContact CZ-CB 3.87Å
11F98.4Very high95.1Very high36 Ų3670.4 Ų70.416%0.15839%0.389CS..BIsolated β-bridgetrans-93.7120174.2176.8-116000111.3D3 A5 L8 G13 L36 Y46D3-F11 HydrophobicContact CB-CE1 4.3Å; D3-F11 HydrophobicContact CB-CZ 4.45Å; A5-F11 HydrophobicContact CB-CB 4.17Å; A5-F11 HydrophobicContact CB-CD1 3.91Å; A5-F11 HydrophobicContact CB-CD2 3.71Å; A5-F11 HydrophobicContact CB-CE1 4.14Å; A5-F11 HydrophobicContact CB-CE2 3.97Å; A5-F11 HydrophobicContact CB-CG 3.66Å; A5-F11 HydrophobicContact CB-CZ 4.15Å; A5-F11 WeakPolarHBondContact O-CB 3.41Å; A5-F11 WeakPolarHBondContact O-CD1 3.41Å; L8-F11 HydrophobicContact CB-CB 4.01Å; L8-F11 WeakPolarHBondContact O-CB 3.47Å; L8-F11 PolarHBondContact O-N 3.07Å; F11-G13 VanDerWaalsContact CZ-CA 3.48Å; F11-L36 WeakPolarHBondContact CA-O 3.37Å; F11-L36 HydrophobicContact CD2-CB 4.34Å; F11-L36 HydrophobicContact CD2-CD2 4.18Å; F11-L36 HydrophobicContact CD2-CG 4.21Å; F11-Y46 HydrophobicContact CD2-CD1 4.49Å; F11-Y46 HydrophobicContact CD2-CE1 4.43Å; F11-Y46 AromaticContact CE2-CD1 3.85Å; F11-Y46 HydrophobicContact CE2-CD1 3.85Å; F11-Y46 AromaticContact CE2-CE1 3.67Å; F11-Y46 HydrophobicContact CE2-CE1 3.67Å; F11-Y46 HydrophobicContact CZ-CE1 4.1Å
12Y98Very high96.8Very high103 Ų10364.7 Ų64.740%0.40436%0.36SS..  trans-102.75.9-174.3-75.3-113.3000113F10 I15 H23 L35 L36F10-Y12 WeakPolarHBondContact O-CD2 3.34Å; Y12-I15 HydrophobicContact CD1-CD1 4.18Å; Y12-I15 HydrophobicContact CG-CD1 4.13Å; Y12-H23 AromaticContact CD1-CD2 3.7Å; Y12-H23 AromaticContact CD1-NE2 3.74Å; Y12-H23 HydrophobicContact CE1-CB 4.24Å; Y12-H23 AromaticContact CE1-CD2 3.73Å; Y12-H23 AromaticContact CE1-CE1 3.82Å; Y12-H23 AromaticContact CE1-CG 3.66Å; Y12-H23 AromaticContact CE1-ND1 3.71Å; Y12-H23 AromaticContact CE1-NE2 3.83Å; Y12-L35 HydrophobicContact CD2-CB 3.79Å; Y12-L35 HydrophobicContact CD2-CD1 4.39Å; Y12-L35 HydrophobicContact CD2-CD2 4.24Å; Y12-L35 HydrophobicContact CD2-CG 4.37Å; Y12-L35 HydrophobicContact CE2-CB 3.73Å; Y12-L35 HydrophobicContact CE2-CD2 4.19Å; Y12-L36 PolarHBondContact N-O 3.26Å
13G96.9Very high97.4Very high17 Ų1762.8 Ų62.818%0.17534%0.341CS..  trans66.2-144.5-17800000112.9F11 I15 R37 Q38F11-G13 VanDerWaalsContact CZ-CA 3.48Å; G13-I15 PolarHBondContact O-N 3.1Å; G13-I15 VanDerWaalsContact O-N 3.12Å; G13-R37 CarbonylContact O-C 3.56Å; G13-R37 WeakPolarHBondContact O-CA 3.15Å; G13-R37 WeakPolarHBondContact O-CB 3.36Å; G13-Q38 PolarHBondContact O-N 2.92Å
14S96.6Very high97.7Very high76 Ų7660.9 Ų60.953%0.53133%0.33SS..SBendtrans-87.267.7-173.5179.30000112.4L40S14-L40 WeakPolarHBondContact OG-CD2 3.4Å
15I98Very high97.9Very high22 Ų2263 Ų6311%0.11333%0.333CS..  trans-99.5152.8171.963.1166.1000112.3Y12 G13 E19 A20 L35 R37Y12-I15 HydrophobicContact CD1-CD1 4.18Å; Y12-I15 HydrophobicContact CG-CD1 4.13Å; G13-I15 PolarHBondContact O-N 3.1Å; G13-I15 VanDerWaalsContact O-N 3.12Å; I15-E19 HydrophobicContact CB-CB 4.1Å; I15-E19 HydrophobicContact CD1-CB 4.38Å; I15-A20 HydrophobicContact CD1-CB 3.86Å; I15-L35 HydrophobicContact CD1-CD1 4.4Å; I15-R37 HydrophobicContact CD1-CB 4.48Å; I15-R37 HydrophobicContact CG1-CB 3.82Å
16S97.8Very high98Very high42 Ų4269.6 Ų69.629%0.29437%0.367SS..  trans-67.5168.6173.771.60000112.1A18 E19 A20S16-A18 VanDerWaalsContact C-N 3.31Å; S16-A18 PolarHBondContact OG-N 3.02Å; S16-E19 WeakPolarHBondContact CA-OE2 3.47Å; S16-E19 WeakPolarHBondContact CB-OE2 3.32Å; S16-E19 PolarHBondContact N-OE2 3.45Å; S16-E19 WeakPolarHBondContact OG-CG 3.36Å; S16-E19 PolarHBondContact OG-N 3.33Å; S16-E19 PolarHBondContact OG-OE2 2.95Å; S16-A20 WeakPolarHBondContact O-CB 3.13Å; S16-A20 PolarHBondContact O-N 3.38Å
17R98.2Very high98.1Very high140 Ų14069.7 Ų69.753%0.52837%0.368SS..Hα-helixtrans-61.8-40.7172-179.2-179.1173.1168.74.6111.5A20 E21 H58R17-A20 WeakPolarHBondContact O-CB 3.33Å; R17-A20 PolarHBondContact O-N 2.86Å; R17-E21 HydrophobicContact CG-CG 4.46Å; R17-E21 IonicContact CZ-OE1 3.51Å; R17-E21 IonicContact NE-OE1 2.81Å; R17-E21 PolarHBondContact NE-OE1 3.43Å; R17-E21 IonicContact NH2-OE1 3.35Å; R17-E21 PolarHBondContact NH2-OE1 2.94Å; R17-E21 WeakPolarHBondContact O-CG 3.45Å; R17-E21 PolarHBondContact O-N 2.78Å; R17-H58 VanDerWaalsContact CZ-CD2 3.47Å; R17-H58 PolarHBondContact NE-CD2 3.44Å; R17-H58 VanDerWaalsContact NE-CD2 3.29Å; R17-H58 PolarHBondContact NE-NE2 2.84Å; R17-H58 PolarHBondContact NH2-CD2 3.13Å
18A98.4Very high98.1Very high67 Ų6765.7 Ų65.755%0.55436%0.364SS*.Hα-helixtrans-66.5-45.2-176.800000111.9S16 A20 E21 E22S16-A18 VanDerWaalsContact C-N 3.31Å; S16-A18 PolarHBondContact OG-N 3.02Å; A18-A20 VanDerWaalsContact C-N 3.3Å; A18-A20 PolarHBondContact O-N 3.17Å; A18-E21 PolarHBondContact O-N 3.08Å; A18-E22 PolarHBondContact O-N 3.13Å
19E98.5Very high98.1Very high90 Ų9066.5 Ų66.542%0.42137%0.368SS..Hα-helixtrans-60.6-40.3174.9-70.4160.8131.600111.2I15 S16 E22 H23I15-E19 HydrophobicContact CB-CB 4.1Å; I15-E19 HydrophobicContact CD1-CB 4.38Å; S16-E19 WeakPolarHBondContact CA-OE2 3.47Å; S16-E19 WeakPolarHBondContact CB-OE2 3.32Å; S16-E19 PolarHBondContact N-OE2 3.45Å; S16-E19 WeakPolarHBondContact OG-CG 3.36Å; S16-E19 PolarHBondContact OG-N 3.33Å; S16-E19 PolarHBondContact OG-OE2 2.95Å; E19-E22 PolarHBondContact O-N 3.2Å; E19-H23 PolarHBondContact O-CD2 3.43Å; E19-H23 PolarHBondContact O-N 2.87Å
20A98.6Very high98.2Very high0 Ų063.6 Ų63.60%035%0.354CS..Hα-helixtrans-62.7-45.5175.800000112.5I15 S16 R17 A18 E22 H23 L24 L35I15-A20 HydrophobicContact CD1-CB 3.86Å; S16-A20 WeakPolarHBondContact O-CB 3.13Å; S16-A20 PolarHBondContact O-N 3.38Å; R17-A20 WeakPolarHBondContact O-CB 3.33Å; R17-A20 PolarHBondContact O-N 2.86Å; A18-A20 VanDerWaalsContact C-N 3.3Å; A18-A20 PolarHBondContact O-N 3.17Å; A20-E22 VanDerWaalsContact C-N 3.3Å; A20-E22 PolarHBondContact O-N 2.85Å; A20-H23 PolarHBondContact O-N 3.13Å; A20-L24 WeakPolarHBondContact O-CG 3.47Å; A20-L24 PolarHBondContact O-N 3.05Å; A20-L24 VanDerWaalsContact O-N 3.1Å; A20-L35 HydrophobicContact CB-CD1 3.96Å; A20-L35 HydrophobicContact CB-CD2 4.34Å
21E98.8Very high98.2Very high35 Ų3565.4 Ų65.416%0.16437%0.366CS..Hα-helixtrans-63.2-37.1175.7-69.3179.7-171.600111.4R17 A18 L24 K25 F56 H58R17-E21 HydrophobicContact CG-CG 4.46Å; R17-E21 IonicContact CZ-OE1 3.51Å; R17-E21 IonicContact NE-OE1 2.81Å; R17-E21 PolarHBondContact NE-OE1 3.43Å; R17-E21 IonicContact NH2-OE1 3.35Å; R17-E21 PolarHBondContact NH2-OE1 2.94Å; R17-E21 WeakPolarHBondContact O-CG 3.45Å; R17-E21 PolarHBondContact O-N 2.78Å; A18-E21 PolarHBondContact O-N 3.08Å; E21-L24 PolarHBondContact O-N 2.91Å; E21-K25 VanDerWaalsContact O-CG 3.26Å; E21-K25 WeakPolarHBondContact O-CG 3.45Å; E21-K25 PolarHBondContact O-N 2.93Å; E21-F56 HydrophobicContact CB-CD1 4.26Å; E21-F56 HydrophobicContact CB-CD2 4.15Å; E21-F56 HydrophobicContact CB-CE1 4.12Å; E21-F56 HydrophobicContact CB-CE2 4.02Å; E21-F56 HydrophobicContact CB-CG 4.29Å; E21-F56 HydrophobicContact CB-CZ 4.02Å; E21-F56 HydrophobicContact CG-CB 4.13Å; E21-F56 HydrophobicContact CG-CD1 3.93Å; E21-F56 HydrophobicContact CG-CD2 3.67Å; E21-F56 HydrophobicContact CG-CE1 4.3Å; E21-F56 HydrophobicContact CG-CE2 4.08Å; E21-F56 HydrophobicContact CG-CG 3.62Å; E21-F56 HydrophobicContact CG-CZ 4.38Å; E21-H58 IonicContact OE1-CE1 3.44Å; E21-H58 IonicContact OE1-NE2 2.81Å; E21-H58 PolarHBondContact OE1-NE2 2.57Å; E21-H58 VanDerWaalsContact OE1-NE2 3.16Å
22E98.8Very high98.1Very high114 Ų11466 Ų6653%0.53338%0.382SS..Hα-helixtrans-63.6-46.2175-175.6172.4-165.500112.3A18 E19 A20 L24 K25 L26A18-E22 PolarHBondContact O-N 3.13Å; E19-E22 PolarHBondContact O-N 3.2Å; A20-E22 VanDerWaalsContact C-N 3.3Å; A20-E22 PolarHBondContact O-N 2.85Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 3.17Å; E22-K25 WeakPolarHBondContact O-CB 3.48Å; E22-K25 PolarHBondContact O-N 3.37Å; E22-L26 HydrophobicContact CG-CD1 4.12Å; E22-L26 WeakPolarHBondContact O-CG 3.37Å; E22-L26 PolarHBondContact O-N 3.39Å
23H98.8Very high98.2Very high73 Ų7363.3 Ų63.334%0.33838%0.375SS..Hα-helixtrans-57.7-43.1174.3-75.4-61.9000112.3Y12 E19 A20 L26 A27 L35Y12-H23 AromaticContact CD1-CD2 3.7Å; Y12-H23 AromaticContact CD1-NE2 3.74Å; Y12-H23 HydrophobicContact CE1-CB 4.24Å; Y12-H23 AromaticContact CE1-CD2 3.73Å; Y12-H23 AromaticContact CE1-CE1 3.82Å; Y12-H23 AromaticContact CE1-CG 3.66Å; Y12-H23 AromaticContact CE1-ND1 3.71Å; Y12-H23 AromaticContact CE1-NE2 3.83Å; E19-H23 PolarHBondContact O-CD2 3.43Å; E19-H23 PolarHBondContact O-N 2.87Å; A20-H23 PolarHBondContact O-N 3.13Å; H23-L26 PolarHBondContact O-N 3.1Å; H23-A27 VanDerWaalsContact O-CB 3.31Å; H23-A27 WeakPolarHBondContact O-CB 3.26Å; H23-A27 PolarHBondContact O-N 3.39Å; H23-L35 HydrophobicContact CB-CD2 3.82Å
24L98.7Very high98.3Very high3 Ų365.9 Ų65.92%0.01638%0.381CS..Hα-helixtrans-67-35.9177.6-67.5170.7000112.5A20 E21 E22 A27 G28 M29 L33 L35 V51 F56A20-L24 WeakPolarHBondContact O-CG 3.47Å; A20-L24 PolarHBondContact O-N 3.05Å; A20-L24 VanDerWaalsContact O-N 3.1Å; E21-L24 PolarHBondContact O-N 2.91Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 3.17Å; L24-A27 PolarHBondContact O-N 2.97Å; L24-G28 PolarHBondContact O-N 3.21Å; L24-M29 PolarHBondContact O-N 2.93Å; L24-L33 HydrophobicContact CD2-CD2 4.08Å; L24-L33 HydrophobicContact CD2-CG 3.78Å; L24-L33 WeakPolarHBondContact O-CD2 3.29Å; L24-L35 HydrophobicContact CD2-CD2 4.2Å; L24-L35 HydrophobicContact CD2-CG 4.34Å; L24-L35 HydrophobicContact CG-CD2 4.03Å; L24-L35 HydrophobicContact CG-CG 4.43Å; L24-V51 HydrophobicContact CB-CG2 3.85Å; L24-V51 HydrophobicContact CD1-CG2 4.01Å; L24-V51 HydrophobicContact CD2-CG2 4.21Å; L24-V51 HydrophobicContact CG-CG2 4.24Å; L24-F56 HydrophobicContact CB-CD1 4.32Å; L24-F56 HydrophobicContact CB-CE1 3.79Å; L24-F56 HydrophobicContact CD1-CD1 3.9Å; L24-F56 HydrophobicContact CD1-CE1 4.23Å
25K98.6Very high98.4Very high114 Ų11462.4 Ų62.450%0.49636%0.357SS..Hα-helixtrans-62.3-50.6173.1-73.4169.7-170.9169.70111.6E21 E22 A27 G28 M29 F56E21-K25 VanDerWaalsContact O-CG 3.26Å; E21-K25 WeakPolarHBondContact O-CG 3.45Å; E21-K25 PolarHBondContact O-N 2.93Å; E22-K25 WeakPolarHBondContact O-CB 3.48Å; E22-K25 PolarHBondContact O-N 3.37Å; K25-A27 PolarHBondContact O-N 3.45Å; K25-G28 PolarHBondContact O-N 3.35Å; K25-G28 VanDerWaalsContact O-N 3.1Å; K25-M29 HydrophobicContact CB-SD 4.31Å; K25-M29 HydrophobicContact CG-CG 4.44Å; K25-M29 HydrophobicContact CG-SD 3.75Å; K25-F56 HydrophobicContact CD-CZ 4.2Å; K25-F56 VanDerWaalsContact CE-CZ 3.46Å; K25-F56 HydrophobicContact CG-CE1 4.44Å; K25-F56 HydrophobicContact CG-CZ 3.68Å
26L98.4Very high98.4Very high138 Ų13861.4 Ų61.472%0.72335%0.352SS*.Hα-helixtrans-65-28-179.1-67.4173.2000112.3E22 H23 G28E22-L26 HydrophobicContact CG-CD1 4.12Å; E22-L26 WeakPolarHBondContact O-CG 3.37Å; E22-L26 PolarHBondContact O-N 3.39Å; H23-L26 PolarHBondContact O-N 3.1Å; L26-G28 VanDerWaalsContact C-N 3.31Å
27A97.9Very high98.4Very high65 Ų6560.4 Ų60.454%0.53734%0.341SS..THydrogen-bonded Turntrans-84.53.717600000114.4H23 L24 K25 L33H23-A27 VanDerWaalsContact O-CB 3.31Å; H23-A27 WeakPolarHBondContact O-CB 3.26Å; H23-A27 PolarHBondContact O-N 3.39Å; L24-A27 PolarHBondContact O-N 2.97Å; K25-A27 PolarHBondContact O-N 3.45Å; A27-L33 HydrophobicContact CB-CD1 4.22Å; A27-L33 HydrophobicContact CB-CD2 3.71Å
28G97.9Very high98.4Very high55 Ų5556.8 Ų56.857%0.56733%0.33SS*.THydrogen-bonded Turntrans104.35163.800000116.8L24 K25 L26 A30L24-G28 PolarHBondContact O-N 3.21Å; K25-G28 PolarHBondContact O-N 3.35Å; K25-G28 VanDerWaalsContact O-N 3.1Å; L26-G28 VanDerWaalsContact C-N 3.31Å; G28-A30 PolarHBondContact O-N 3.48Å; G28-A30 VanDerWaalsContact O-N 3.07Å
29M97.9Very high98.2Very high36 Ų3654.1 Ų54.118%0.17731%0.308CS..  trans56.326.1171.4-62.6-67.9-67.600115.5L24 K25 V51 V54 F56L24-M29 PolarHBondContact O-N 2.93Å; K25-M29 HydrophobicContact CB-SD 4.31Å; K25-M29 HydrophobicContact CG-CG 4.44Å; K25-M29 HydrophobicContact CG-SD 3.75Å; M29-V51 HydrophobicContact CB-CG1 4.46Å; M29-V51 HydrophobicContact CE-CG1 4.08Å; M29-V51 WeakPolarHBondContact O-CG1 3.37Å; M29-V51 HydrophobicContact SD-CG1 4.5Å; M29-V51 HydrophobicContact SD-CG2 4.16Å; M29-V54 HydrophobicContact CB-CG1 4.42Å; M29-V54 HydrophobicContact CE-CG1 3.93Å; M29-F56 HydrophobicContact CE-CD1 4.5Å; M29-F56 HydrophobicContact CE-CE1 3.67Å; M29-F56 HydrophobicContact CE-CE2 4.15Å; M29-F56 HydrophobicContact CE-CZ 3.43Å; M29-F56 VanDerWaalsContact CE-CZ 3.43Å; M29-F56 HydrophobicContact SD-CE1 3.45Å; M29-F56 WeakPolarHBondContact SD-CE1 3.4Å; M29-F56 HydrophobicContact SD-CZ 3.45Å; M29-F56 WeakPolarHBondContact SD-CZ 3.47Å
30A98.2Very high97.7Very high59 Ų5955.4 Ų55.449%0.48832%0.317SS..  trans-73147.217800000111.5G28 G32 L33G28-A30 PolarHBondContact O-N 3.48Å; G28-A30 VanDerWaalsContact O-N 3.07Å; A30-G32 PolarHBondContact O-N 2.85Å; A30-L33 WeakPolarHBondContact O-CB 3.05Å; A30-L33 PolarHBondContact O-N 2.97Å
31D98.4Very high97.2Very high88 Ų8865.6 Ų65.647%0.47136%0.355SS..THydrogen-bonded Turntrans-58.8132.3173.9-85.923000111.4L33 H52 D53D31-L33 VanDerWaalsContact C-N 3.3Å; D31-H52 WeakPolarHBondContact OD1-CA 3.35Å; D31-H52 IonicContact OD2-CE1 3.96Å; D31-H52 PolarHBondContact OD2-CE1 3.43Å; D31-H52 IonicContact OD2-CG 3.16Å; D31-H52 IonicContact OD2-ND1 3.92Å; D31-H52 PolarHBondContact OD2-ND1 3.48Å; D31-D53 PolarHBondContact OD1-N 2.83Å; D31-D53 PolarHBondContact OD2-N 2.85Å
32G97.6Very high96.7Very high48 Ų4865.9 Ų65.950%0.49536%0.361SS..THydrogen-bonded Turntrans86.4-7.9-175.600000114.3A30 F34 V51A30-G32 PolarHBondContact O-N 2.85Å; G32-F34 WeakPolarHBondContact O-CD1 3.34Å; G32-F34 PolarHBondContact O-N 3.1Å; G32-V51 PolarHBondContact N-O 2.81Å
33L98.4Very high96.3Very high47 Ų4768.3 Ų68.325%0.24638%0.377CS..  trans-64.8129.9174.2-178.667.5000110L24 A27 A30 D31 L50 V51L24-L33 HydrophobicContact CD2-CD2 4.08Å; L24-L33 HydrophobicContact CD2-CG 3.78Å; L24-L33 WeakPolarHBondContact O-CD2 3.29Å; A27-L33 HydrophobicContact CB-CD1 4.22Å; A27-L33 HydrophobicContact CB-CD2 3.71Å; A30-L33 WeakPolarHBondContact O-CB 3.05Å; A30-L33 PolarHBondContact O-N 2.97Å; D31-L33 VanDerWaalsContact C-N 3.3Å; L33-L50 CarbonylContact O-C 3.5Å; L33-L50 WeakPolarHBondContact O-CA 3.48Å; L33-V51 HydrophobicContact CB-CB 4.38Å; L33-V51 HydrophobicContact CB-CG2 4.5Å; L33-V51 PolarHBondContact O-N 3.15Å
34F98.8Very high96Very high72 Ų7265.7 Ų65.732%0.31637%0.369SS..EExtended strand (participates in β ladder)trans-146.8165.5-175.377.7-83.3000113.1F10 G32 L48 S49 L50 C84F10-F34 HydrophobicContact CB-CE2 4.43Å; F10-F34 HydrophobicContact CD1-CE2 4.38Å; F10-F34 HydrophobicContact CD1-CZ 4.3Å; F10-F34 AromaticContact CD2-CE2 3.65Å; F10-F34 HydrophobicContact CD2-CE2 3.65Å; F10-F34 HydrophobicContact CD2-CZ 4.36Å; F10-F34 HydrophobicContact CE1-CZ 4.47Å; F10-F34 AromaticContact CE2-CE2 3.93Å; F10-F34 HydrophobicContact CE2-CE2 3.93Å; F10-F34 AromaticContact CG-CE2 3.9Å; F10-F34 HydrophobicContact CG-CE2 3.9Å; F10-F34 HydrophobicContact CG-CZ 4.24Å; F10-F34 HydrophobicContact CZ-CE2 4.4Å; G32-F34 WeakPolarHBondContact O-CD1 3.34Å; G32-F34 PolarHBondContact O-N 3.1Å; F34-L48 HydrophobicContact CB-CD1 4.18Å; F34-L48 HydrophobicContact CD2-CD1 3.59Å; F34-L48 HydrophobicContact CE2-CD1 4.38Å; F34-L48 HydrophobicContact CG-CD1 4.2Å; F34-S49 CarbonylContact C-O 3.49Å; F34-S49 WeakPolarHBondContact CA-O 3.37Å; F34-S49 WeakPolarHBondContact CB-O 3.47Å; F34-L50 HydrophobicContact CB-CB 4.47Å; F34-L50 HydrophobicContact CB-CD1 4.38Å; F34-C84 HydrophobicContact CE2-CB 4.28Å; F34-C84 HydrophobicContact CZ-CB 4.5Å
35L98.8Very high95.9Very high3 Ų365.5 Ų65.52%0.01637%0.368CS..EExtended strand (participates in β ladder)trans-145.9159.2165.163.681.8000110.7Y12 I15 A20 H23 L24 R37 S49Y12-L35 HydrophobicContact CD2-CB 3.79Å; Y12-L35 HydrophobicContact CD2-CD1 4.39Å; Y12-L35 HydrophobicContact CD2-CD2 4.24Å; Y12-L35 HydrophobicContact CD2-CG 4.37Å; Y12-L35 HydrophobicContact CE2-CB 3.73Å; Y12-L35 HydrophobicContact CE2-CD2 4.19Å; I15-L35 HydrophobicContact CD1-CD1 4.4Å; A20-L35 HydrophobicContact CB-CD1 3.96Å; A20-L35 HydrophobicContact CB-CD2 4.34Å; H23-L35 HydrophobicContact CB-CD2 3.82Å; L24-L35 HydrophobicContact CD2-CD2 4.2Å; L24-L35 HydrophobicContact CD2-CG 4.34Å; L24-L35 HydrophobicContact CG-CD2 4.03Å; L24-L35 HydrophobicContact CG-CG 4.43Å; L35-R37 HydrophobicContact CD1-CB 4.27Å; L35-R37 HydrophobicContact CD1-CG 4.38Å; L35-S49 PolarHBondContact N-O 2.89Å; L35-S49 PolarHBondContact O-N 3.34Å
36L98.7Very high95.9Very high1 Ų160.2 Ų60.21%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-107.6137.6173.9-168.571.5000109.6A5 L8 F10 F11 Y12 Y46 I61 P80A5-L36 HydrophobicContact CB-CD2 4.11Å; L8-L36 HydrophobicContact CD1-CD2 4.33Å; F10-L36 HydrophobicContact CD2-CB 3.96Å; F10-L36 HydrophobicContact CE2-CB 4.27Å; F10-L36 PolarHBondContact O-N 3.38Å; F11-L36 WeakPolarHBondContact CA-O 3.37Å; F11-L36 HydrophobicContact CD2-CB 4.34Å; F11-L36 HydrophobicContact CD2-CD2 4.18Å; F11-L36 HydrophobicContact CD2-CG 4.21Å; Y12-L36 PolarHBondContact N-O 3.26Å; L36-Y46 HydrophobicContact CD1-CG 4.29Å; L36-Y46 HydrophobicContact CD2-CD1 4.18Å; L36-Y46 HydrophobicContact CD2-CG 4.28Å; L36-Y46 HydrophobicContact CG-CD1 4.26Å; L36-Y46 HydrophobicContact CG-CG 4.34Å; L36-I61 HydrophobicContact CD1-CD1 3.81Å; L36-P80 HydrophobicContact CD2-CB 3.72Å
37R98.4Very high95.9Very high20 Ų2053.9 Ų53.98%0.07531%0.313CS..EExtended strand (participates in β ladder)trans-140.1157.6175.562.4-174.7-177.775.82.5111.1G13 I15 L35 Y46 V47 S49G13-R37 CarbonylContact O-C 3.56Å; G13-R37 WeakPolarHBondContact O-CA 3.15Å; G13-R37 WeakPolarHBondContact O-CB 3.36Å; I15-R37 HydrophobicContact CD1-CB 4.48Å; I15-R37 HydrophobicContact CG1-CB 3.82Å; L35-R37 HydrophobicContact CD1-CB 4.27Å; L35-R37 HydrophobicContact CD1-CG 4.38Å; R37-Y46 CarbonylContact O-C 3.6Å; R37-Y46 VanDerWaalsContact O-CA 3.27Å; R37-Y46 WeakPolarHBondContact O-CA 3.47Å; R37-Y46 WeakPolarHBondContact O-CB 3.49Å; R37-V47 HydrophobicContact CG-CB 4.07Å; R37-V47 PolarHBondContact N-O 3.01Å; R37-V47 VanDerWaalsContact N-O 3.15Å; R37-V47 PolarHBondContact O-N 2.98Å; R37-S49 PolarHBondContact NE-OG 3.2Å
38Q97.6Very high96Very high65 Ų6552.2 Ų52.230%0.30429%0.294SS..EExtended strand (participates in β ladder)trans-66.7142.6177.9-166.5177.1-12.100110.8G13G13-Q38 PolarHBondContact O-N 2.92Å
39C93.8Very high96Very high11 Ų1149.6 Ų49.67%0.07427%0.267CS..  trans-81.8118.8173.9-171.20000110.3R41 G45 V47C39-R41 PolarHBondContact O-N 3.02Å; C39-G45 WeakPolarHBondContact CB-O 3.35Å; C39-G45 PolarHBondContact N-O 2.92Å; C39-V47 HydrophobicContact CB-CG2 4.12Å
40L87.9Confident96Very high117 Ų11749.8 Ų49.861%0.61327%0.269SS*.THydrogen-bonded Turntrans-71.2-14.5177.4-57.3179.9000113.6S14S14-L40 WeakPolarHBondContact OG-CD2 3.4Å
41R89.2Confident96Very high213 Ų21347 Ų4780%0.80425%0.246SC*.THydrogen-bonded Turntrans-104.9-13.3-176.5-62.5-169.7-62.2-95.20.6114.1C39C39-R41 PolarHBondContact O-N 3.02Å
42S87.9Confident96.1Very high41 Ų4147 Ų4729%0.28724%0.243SC..SBendtrans-134.8118.8-174.4-177.80000110G44 G45S42-G44 PolarHBondContact O-N 2.95Å; S42-G45 PolarHBondContact O-N 3.47Å; S42-G45 VanDerWaalsContact O-N 3.08Å
43L90.7Very high96.1Very high166 Ų16649.9 Ų49.987%0.86925%0.247SC*.THydrogen-bonded Turntrans-63.7119.6-177-177.766.3000110.5G45L43-G45 PolarHBondContact O-N 3.29Å
44G92.9Very high96Very high17 Ų1752.6 Ų52.618%0.17527%0.265CS..THydrogen-bonded Turntrans72.86-178.600000114.5S42 Y69S42-G44 PolarHBondContact O-N 2.95Å; G44-Y69 WeakPolarHBondContact O-CE1 3.37Å
45G96.6Very high96Very high0 Ų057.6 Ų57.60%028%0.282CS..  trans-86.1169.2170.500000112.5C39 S42 L43 I61C39-G45 WeakPolarHBondContact CB-O 3.35Å; C39-G45 PolarHBondContact N-O 2.92Å; S42-G45 PolarHBondContact O-N 3.47Å; S42-G45 VanDerWaalsContact O-N 3.08Å; L43-G45 PolarHBondContact O-N 3.29Å; G45-I61 CarbonylContact C-O 3.59Å; G45-I61 VanDerWaalsContact CA-O 3.25Å; G45-I61 WeakPolarHBondContact CA-O 3.27Å
46Y98.4Very high96Very high2 Ų259.6 Ų59.61%0.00829%0.29CS..EExtended strand (participates in β ladder)trans-127.3176.5178.9-57.7-79.1000111.4D3 P4 A5 F11 L36 R37 I61 Y69 P80D3-Y46 PolarHBondContact OD1-OH 3.25Å; P4-Y46 WeakPolarHBondContact CD-OH 3.09Å; P4-Y46 WeakPolarHBondContact CG-OH 3.48Å; A5-Y46 HydrophobicContact CB-CE1 3.81Å; F11-Y46 HydrophobicContact CD2-CD1 4.49Å; F11-Y46 HydrophobicContact CD2-CE1 4.43Å; F11-Y46 AromaticContact CE2-CD1 3.85Å; F11-Y46 HydrophobicContact CE2-CD1 3.85Å; F11-Y46 AromaticContact CE2-CE1 3.67Å; F11-Y46 HydrophobicContact CE2-CE1 3.67Å; F11-Y46 HydrophobicContact CZ-CE1 4.1Å; L36-Y46 HydrophobicContact CD1-CG 4.29Å; L36-Y46 HydrophobicContact CD2-CD1 4.18Å; L36-Y46 HydrophobicContact CD2-CG 4.28Å; L36-Y46 HydrophobicContact CG-CD1 4.26Å; L36-Y46 HydrophobicContact CG-CG 4.34Å; R37-Y46 CarbonylContact O-C 3.6Å; R37-Y46 VanDerWaalsContact O-CA 3.27Å; R37-Y46 WeakPolarHBondContact O-CA 3.47Å; R37-Y46 WeakPolarHBondContact O-CB 3.49Å; Y46-I61 PolarHBondContact N-O 3.42Å; Y46-I61 PolarHBondContact O-N 3.09Å; Y46-Y69 AromaticContact CD2-CD1 3.94Å; Y46-Y69 HydrophobicContact CD2-CD1 3.94Å; Y46-Y69 AromaticContact CD2-CE1 3.96Å; Y46-Y69 HydrophobicContact CD2-CE1 3.96Å; Y46-Y69 AromaticContact CE2-CD1 3.85Å; Y46-Y69 HydrophobicContact CE2-CD1 3.85Å; Y46-Y69 AromaticContact CE2-CE1 3.42Å; Y46-Y69 HydrophobicContact CE2-CE1 3.42Å; Y46-Y69 VanDerWaalsContact CE2-CE1 3.42Å; Y46-P80 HydrophobicContact CD2-CB 4.22Å; Y46-P80 HydrophobicContact CE2-CB 3.89Å; Y46-P80 HydrophobicContact CE2-CG 4.02Å
47V98.5Very high96Very high6 Ų662.7 Ų62.74%0.03631%0.305CS..EExtended strand (participates in β ladder)trans-133.2122164.9-174.30000108.2R37 C39 H58 F59R37-V47 HydrophobicContact CG-CB 4.07Å; R37-V47 PolarHBondContact N-O 3.01Å; R37-V47 VanDerWaalsContact N-O 3.15Å; R37-V47 PolarHBondContact O-N 2.98Å; C39-V47 HydrophobicContact CB-CG2 4.12Å; V47-H58 HydrophobicContact CG1-CB 3.89Å; V47-F59 WeakPolarHBondContact CA-O 3.44Å
48L98.6Very high96Very high29 Ų2963.7 Ų63.715%0.15231%0.31CS..EExtended strand (participates in β ladder)trans-79.4118.3167.5176.865.3000108.3F34 H58 F59 I61 I71F34-L48 HydrophobicContact CB-CD1 4.18Å; F34-L48 HydrophobicContact CD2-CD1 3.59Å; F34-L48 HydrophobicContact CE2-CD1 4.38Å; F34-L48 HydrophobicContact CG-CD1 4.2Å; L48-H58 CarbonylContact O-C 3.48Å; L48-H58 WeakPolarHBondContact O-CA 3.47Å; L48-F59 HydrophobicContact CB-CB 4.37Å; L48-F59 HydrophobicContact CD2-CD2 4.41Å; L48-F59 PolarHBondContact N-O 2.78Å; L48-F59 PolarHBondContact O-N 3.41Å; L48-I61 HydrophobicContact CB-CD1 3.94Å; L48-I71 HydrophobicContact CD2-CD1 4.46Å
49S98.7Very high96Very high0 Ų064 Ų640%031%0.311CS..EExtended strand (participates in β ladder)trans-108.5121.1176-55.30000108.7F34 L35 R37 H57 H58F34-S49 CarbonylContact C-O 3.49Å; F34-S49 WeakPolarHBondContact CA-O 3.37Å; F34-S49 WeakPolarHBondContact CB-O 3.47Å; L35-S49 PolarHBondContact N-O 2.89Å; L35-S49 PolarHBondContact O-N 3.34Å; R37-S49 PolarHBondContact NE-OG 3.2Å; S49-H57 CarbonylContact C-O 3.44Å; S49-H57 WeakPolarHBondContact CA-O 3.48Å; S49-H58 WeakPolarHBondContact CB-ND1 3.42Å; S49-H58 PolarHBondContact OG-ND1 3.06Å
50L98.5Very high96.2Very high41 Ų4166.2 Ų66.222%0.21533%0.325CS..EExtended strand (participates in β ladder)trans-128.7149-168.9163.175.2000110L33 F34 F56 H57 F59L33-L50 CarbonylContact O-C 3.5Å; L33-L50 WeakPolarHBondContact O-CA 3.48Å; F34-L50 HydrophobicContact CB-CB 4.47Å; F34-L50 HydrophobicContact CB-CD1 4.38Å; L50-F56 WeakPolarHBondContact O-CA 3.21Å; L50-H57 HydrophobicContact CB-CB 4.34Å; L50-H57 HydrophobicContact CD2-CB 4.4Å; L50-H57 PolarHBondContact N-O 2.93Å; L50-H57 PolarHBondContact O-N 2.81Å; L50-F59 HydrophobicContact CD2-CE2 3.99Å
51V98.8Very high96.7Very high0 Ų060.9 Ų60.90%030%0.297CS..EExtended strand (participates in β ladder)trans-103.7132.5164.9-176.10000110.6L24 M29 G32 L33 R55 F56L24-V51 HydrophobicContact CB-CG2 3.85Å; L24-V51 HydrophobicContact CD1-CG2 4.01Å; L24-V51 HydrophobicContact CD2-CG2 4.21Å; L24-V51 HydrophobicContact CG-CG2 4.24Å; M29-V51 HydrophobicContact CB-CG1 4.46Å; M29-V51 HydrophobicContact CE-CG1 4.08Å; M29-V51 WeakPolarHBondContact O-CG1 3.37Å; M29-V51 HydrophobicContact SD-CG1 4.5Å; M29-V51 HydrophobicContact SD-CG2 4.16Å; G32-V51 PolarHBondContact N-O 2.81Å; L33-V51 HydrophobicContact CB-CB 4.38Å; L33-V51 HydrophobicContact CB-CG2 4.5Å; L33-V51 PolarHBondContact O-N 3.15Å; V51-R55 WeakPolarHBondContact CA-O 3.26Å; V51-F56 HydrophobicContact CG2-CD1 4.02Å; V51-F56 HydrophobicContact CG2-CE1 4.02Å
52H98.6Very high97.1Very high89 Ų8956.2 Ų56.241%0.41228%0.284SS..EExtended strand (participates in β ladder)trans-151.8138.4168.8-179.645.9000108.9D31 V54 R55D31-H52 WeakPolarHBondContact OD1-CA 3.35Å; D31-H52 IonicContact OD2-CE1 3.96Å; D31-H52 PolarHBondContact OD2-CE1 3.43Å; D31-H52 IonicContact OD2-CG 3.16Å; D31-H52 IonicContact OD2-ND1 3.92Å; D31-H52 PolarHBondContact OD2-ND1 3.48Å; H52-V54 PolarHBondContact O-N 3.33Å; H52-R55 PolarHBondContact N-O 3.14Å; H52-R55 VanDerWaalsContact N-O 3.08Å; H52-R55 WeakPolarHBondContact O-CB 3.35Å; H52-R55 PolarHBondContact O-N 3.34Å
53D98Very high97.5Very high107 Ų10760.7 Ų60.757%0.57230%0.295SS*.THydrogen-bonded Turntrans52.137.6-174.6-70-28.1000112.9D31 R55D31-D53 PolarHBondContact OD1-N 2.83Å; D31-D53 PolarHBondContact OD2-N 2.85Å; D53-R55 PolarHBondContact O-N 3.1Å; D53-R55 VanDerWaalsContact O-N 3.13Å
54V97.1Very high97.7Very high104 Ų10456.5 Ų56.563%0.6327%0.271SS*.THydrogen-bonded Turntrans56.826.7-177.1-158.60000112.5M29 H52M29-V54 HydrophobicContact CB-CG1 4.42Å; M29-V54 HydrophobicContact CE-CG1 3.93Å; H52-V54 PolarHBondContact O-N 3.33Å
55R98.5Very high97.8Very high178 Ų17864.8 Ų64.867%0.67231%0.31SS*.EExtended strand (participates in β ladder)trans-121.7150.4176.8-66.6173.8-175.9-176.82.1110.6V51 H52 D53 H57V51-R55 WeakPolarHBondContact CA-O 3.26Å; H52-R55 PolarHBondContact N-O 3.14Å; H52-R55 VanDerWaalsContact N-O 3.08Å; H52-R55 WeakPolarHBondContact O-CB 3.35Å; H52-R55 PolarHBondContact O-N 3.34Å; D53-R55 PolarHBondContact O-N 3.1Å; D53-R55 VanDerWaalsContact O-N 3.13Å; R55-H57 PolarHBondContact O-CD2 2.79Å
56F98.7Very high97.7Very high44 Ų4470.4 Ų70.419%0.19334%0.34CS..EExtended strand (participates in β ladder)trans-87.3132.6175.5-55.1-68.7000111.2E21 L24 K25 M29 L50 V51E21-F56 HydrophobicContact CB-CD1 4.26Å; E21-F56 HydrophobicContact CB-CD2 4.15Å; E21-F56 HydrophobicContact CB-CE1 4.12Å; E21-F56 HydrophobicContact CB-CE2 4.02Å; E21-F56 HydrophobicContact CB-CG 4.29Å; E21-F56 HydrophobicContact CB-CZ 4.02Å; E21-F56 HydrophobicContact CG-CB 4.13Å; E21-F56 HydrophobicContact CG-CD1 3.93Å; E21-F56 HydrophobicContact CG-CD2 3.67Å; E21-F56 HydrophobicContact CG-CE1 4.3Å; E21-F56 HydrophobicContact CG-CE2 4.08Å; E21-F56 HydrophobicContact CG-CG 3.62Å; E21-F56 HydrophobicContact CG-CZ 4.38Å; L24-F56 HydrophobicContact CB-CD1 4.32Å; L24-F56 HydrophobicContact CB-CE1 3.79Å; L24-F56 HydrophobicContact CD1-CD1 3.9Å; L24-F56 HydrophobicContact CD1-CE1 4.23Å; K25-F56 HydrophobicContact CD-CZ 4.2Å; K25-F56 VanDerWaalsContact CE-CZ 3.46Å; K25-F56 HydrophobicContact CG-CE1 4.44Å; K25-F56 HydrophobicContact CG-CZ 3.68Å; M29-F56 HydrophobicContact CE-CD1 4.5Å; M29-F56 HydrophobicContact CE-CE1 3.67Å; M29-F56 HydrophobicContact CE-CE2 4.15Å; M29-F56 HydrophobicContact CE-CZ 3.43Å; M29-F56 VanDerWaalsContact CE-CZ 3.43Å; M29-F56 HydrophobicContact SD-CE1 3.45Å; M29-F56 WeakPolarHBondContact SD-CE1 3.4Å; M29-F56 HydrophobicContact SD-CZ 3.45Å; M29-F56 WeakPolarHBondContact SD-CZ 3.47Å; L50-F56 WeakPolarHBondContact O-CA 3.21Å; V51-F56 HydrophobicContact CG2-CD1 4.02Å; V51-F56 HydrophobicContact CG2-CE1 4.02Å
57H98.6Very high97.6Very high67 Ų6771.5 Ų71.531%0.3135%0.352SS..EExtended strand (participates in β ladder)trans-118135.8172.2-63.1-99.2000108.9S49 L50 R55 F59S49-H57 CarbonylContact C-O 3.44Å; S49-H57 WeakPolarHBondContact CA-O 3.48Å; L50-H57 HydrophobicContact CB-CB 4.34Å; L50-H57 HydrophobicContact CD2-CB 4.4Å; L50-H57 PolarHBondContact N-O 2.93Å; L50-H57 PolarHBondContact O-N 2.81Å; R55-H57 PolarHBondContact O-CD2 2.79Å; H57-F59 HydrophobicContact CB-CD2 4.44Å; H57-F59 HydrophobicContact CB-CE2 3.57Å; H57-F59 HydrophobicContact CB-CZ 3.88Å
58H98.3Very high97.5Very high40 Ų4072.3 Ų72.319%0.18536%0.357CS..EExtended strand (participates in β ladder)trans-128.4114.8178.2-55.5-78.5000109.7R17 E21 V47 L48 S49 P60R17-H58 VanDerWaalsContact CZ-CD2 3.47Å; R17-H58 PolarHBondContact NE-CD2 3.44Å; R17-H58 VanDerWaalsContact NE-CD2 3.29Å; R17-H58 PolarHBondContact NE-NE2 2.84Å; R17-H58 PolarHBondContact NH2-CD2 3.13Å; E21-H58 IonicContact OE1-CE1 3.44Å; E21-H58 IonicContact OE1-NE2 2.81Å; E21-H58 PolarHBondContact OE1-NE2 2.57Å; E21-H58 VanDerWaalsContact OE1-NE2 3.16Å; V47-H58 HydrophobicContact CG1-CB 3.89Å; L48-H58 CarbonylContact O-C 3.48Å; L48-H58 WeakPolarHBondContact O-CA 3.47Å; S49-H58 WeakPolarHBondContact CB-ND1 3.42Å; S49-H58 PolarHBondContact OG-ND1 3.06Å; H58-P60 WeakPolarHBondContact O-CD 3.33Å
59F97.9Very high97.5Very high72 Ų7271.8 Ų71.832%0.31635%0.353SS..EExtended strand (participates in β ladder)trans-107.6109.2-179.8-56.6-81.9000109.3V47 L48 L50 H57 I61 I71V47-F59 WeakPolarHBondContact CA-O 3.44Å; L48-F59 HydrophobicContact CB-CB 4.37Å; L48-F59 HydrophobicContact CD2-CD2 4.41Å; L48-F59 PolarHBondContact N-O 2.78Å; L48-F59 PolarHBondContact O-N 3.41Å; L50-F59 HydrophobicContact CD2-CE2 3.99Å; H57-F59 HydrophobicContact CB-CD2 4.44Å; H57-F59 HydrophobicContact CB-CE2 3.57Å; H57-F59 HydrophobicContact CB-CZ 3.88Å; F59-I61 PolarHBondContact O-N 3.16Å; F59-I71 HydrophobicContact CB-CD1 3.77Å; F59-I71 HydrophobicContact CB-CG1 4.12Å; F59-I71 HydrophobicContact CB-CG2 4.15Å; F59-I71 HydrophobicContact CD1-CG2 4.43Å; F59-I71 HydrophobicContact CG-CD1 4.31Å
60P97.8Very high97.4Very high58 Ų5872 Ų7238%0.37736%0.356SS..EExtended strand (participates in β ladder)trans-60.1134.3170.6-20.132.8000110.1H58H58-P60 WeakPolarHBondContact O-CD 3.33Å
61I98.2Very high97.4Very high4 Ų472.6 Ų72.62%0.02136%0.358CS..EExtended strand (participates in β ladder)trans-113.4117.6174.7-63.3160.6000106.9L36 G45 Y46 L48 F59 Y69 A70 I71 L83L36-I61 HydrophobicContact CD1-CD1 3.81Å; G45-I61 CarbonylContact C-O 3.59Å; G45-I61 VanDerWaalsContact CA-O 3.25Å; G45-I61 WeakPolarHBondContact CA-O 3.27Å; Y46-I61 PolarHBondContact N-O 3.42Å; Y46-I61 PolarHBondContact O-N 3.09Å; L48-I61 HydrophobicContact CB-CD1 3.94Å; F59-I61 PolarHBondContact O-N 3.16Å; I61-Y69 HydrophobicContact CG2-CD1 4.28Å; I61-A70 CarbonylContact C-O 3.57Å; I61-A70 WeakPolarHBondContact CA-O 3.18Å; I61-I71 HydrophobicContact CG1-CG1 3.75Å; I61-L83 HydrophobicContact CD1-CD1 4Å; I61-L83 HydrophobicContact CD1-CD2 3.54Å; I61-L83 HydrophobicContact CD1-CG 4.45Å; I61-L83 HydrophobicContact CG1-CD1 4.06Å; I61-L83 HydrophobicContact CG1-CD2 4.25Å; I61-L83 HydrophobicContact CG2-CD1 3.68Å
62E97.2Very high97.2Very high115 Ų11576.8 Ų76.854%0.53739%0.393SS..EExtended strand (participates in β ladder)trans-91.4137.8178-67.6-178.8-178.200110.4Y69 A70E62-Y69 WeakPolarHBondContact O-CA 3.49Å; E62-A70 PolarHBondContact N-O 3.07Å; E62-A70 PolarHBondContact O-N 2.68Å
63R96.6Very high97Very high135 Ų13577 Ų7751%0.50942%0.42SS..EExtended strand (participates in β ladder)trans-84.3118.9165.6-176.1179.1176.1-152.1-3108.4Y69R63-Y69 HydrophobicContact CB-CD1 4.13Å; R63-Y69 HydrophobicContact CB-CE1 3.87Å; R63-Y69 HydrophobicContact CG-CD1 4.41Å; R63-Y69 HydrophobicContact CG-CE1 3.89Å
64Q95.6Very high96.9Very high79 Ų7974.2 Ų74.237%0.36942%0.416SS..PPolyproline II helixtrans-81.1163.6179.8-64.2-177.4-23.100111.3N66 G67 T68Q64-N66 VanDerWaalsContact C-N 3.26Å; Q64-N66 WeakPolarHBondContact CB-OD1 3.45Å; Q64-N66 PolarHBondContact O-N 3.35Å; Q64-G67 WeakPolarHBondContact O-CA 3.47Å; Q64-G67 PolarHBondContact O-N 2.82Å; Q64-T68 WeakPolarHBondContact CB-O 3.2Å; Q64-T68 PolarHBondContact N-O 3.2Å; Q64-T68 PolarHBondContact OE1-OG1 3.29Å
65L94.5Very high96.9Very high191 Ų19177.1 Ų77.1100%142%0.42SS*.THydrogen-bonded Turntrans-62.5-31.5-177.5-66175.6000113.4G67L65-G67 PolarHBondContact O-N 3.12Å
66N95.3Very high96.9Very high117 Ų11770.7 Ų70.763%0.62641%0.405SS*.THydrogen-bonded Turntrans-77.52.5174.366-11.4000113.2Q64 T68Q64-N66 VanDerWaalsContact C-N 3.26Å; Q64-N66 WeakPolarHBondContact CB-OD1 3.45Å; Q64-N66 PolarHBondContact O-N 3.35Å; N66-T68 VanDerWaalsContact CG-OG1 3.29Å; N66-T68 PolarHBondContact ND2-OG1 2.81Å; N66-T68 VanDerWaalsContact ND2-OG1 3.07Å; N66-T68 PolarHBondContact OD1-N 2.73Å; N66-T68 VanDerWaalsContact OD1-N 3.16Å; N66-T68 PolarHBondContact OD1-OG1 3.48Å
67G94.8Very high96.8Very high26 Ų2670.9 Ų70.927%0.26841%0.406SS..SBendtrans87-3.1178.700000115.5Q64 L65 Y69Q64-G67 WeakPolarHBondContact O-CA 3.47Å; Q64-G67 PolarHBondContact O-N 2.82Å; L65-G67 PolarHBondContact O-N 3.12Å; G67-Y69 WeakPolarHBondContact O-CE2 3.49Å
68T97.5Very high96.8Very high23 Ų2372.6 Ų72.614%0.14143%0.425CS..  trans-79.7165.2176.252.90000112.4Q64 N66 H77Q64-T68 WeakPolarHBondContact CB-O 3.2Å; Q64-T68 PolarHBondContact N-O 3.2Å; Q64-T68 PolarHBondContact OE1-OG1 3.29Å; N66-T68 VanDerWaalsContact CG-OG1 3.29Å; N66-T68 PolarHBondContact ND2-OG1 2.81Å; N66-T68 VanDerWaalsContact ND2-OG1 3.07Å; N66-T68 PolarHBondContact OD1-N 2.73Å; N66-T68 VanDerWaalsContact OD1-N 3.16Å; N66-T68 PolarHBondContact OD1-OG1 3.48Å; T68-H77 CarbonylContact C-O 3.56Å; T68-H77 VanDerWaalsContact CA-O 3.26Å; T68-H77 WeakPolarHBondContact CA-O 3.44Å; T68-H77 WeakPolarHBondContact CB-O 3.25Å
69Y98Very high96.7Very high17 Ų1771 Ų717%0.06742%0.419CS..EExtended strand (participates in β ladder)trans-119.8134.2-177-62-91.6000110.2G44 Y46 I61 E62 R63 G67 A76 H77G44-Y69 WeakPolarHBondContact O-CE1 3.37Å; Y46-Y69 AromaticContact CD2-CD1 3.94Å; Y46-Y69 HydrophobicContact CD2-CD1 3.94Å; Y46-Y69 AromaticContact CD2-CE1 3.96Å; Y46-Y69 HydrophobicContact CD2-CE1 3.96Å; Y46-Y69 AromaticContact CE2-CD1 3.85Å; Y46-Y69 HydrophobicContact CE2-CD1 3.85Å; Y46-Y69 AromaticContact CE2-CE1 3.42Å; Y46-Y69 HydrophobicContact CE2-CE1 3.42Å; Y46-Y69 VanDerWaalsContact CE2-CE1 3.42Å; I61-Y69 HydrophobicContact CG2-CD1 4.28Å; E62-Y69 WeakPolarHBondContact O-CA 3.49Å; R63-Y69 HydrophobicContact CB-CD1 4.13Å; R63-Y69 HydrophobicContact CB-CE1 3.87Å; R63-Y69 HydrophobicContact CG-CD1 4.41Å; R63-Y69 HydrophobicContact CG-CE1 3.89Å; G67-Y69 WeakPolarHBondContact O-CE2 3.49Å; Y69-A76 CarbonylContact O-C 3.59Å; Y69-A76 WeakPolarHBondContact O-CA 3.4Å; Y69-H77 PolarHBondContact N-O 2.94Å; Y69-H77 PolarHBondContact O-N 3.34Å
70A97.9Very high96.5Very high6 Ų667.9 Ų67.95%0.0541%0.406CS..EExtended strand (participates in β ladder)trans-147.5145.3179.300000112I61 E62I61-A70 CarbonylContact C-O 3.57Å; I61-A70 WeakPolarHBondContact CA-O 3.18Å; E62-A70 PolarHBondContact N-O 3.07Å; E62-A70 PolarHBondContact O-N 2.68Å
71I97.3Very high96.5Very high52 Ų5266 Ų6627%0.26740%0.395SS..EExtended strand (participates in β ladder)trans-75.5146159.1-62.1170.2000107.4L48 F59 I61 G73 G74L48-I71 HydrophobicContact CD2-CD1 4.46Å; F59-I71 HydrophobicContact CB-CD1 3.77Å; F59-I71 HydrophobicContact CB-CG1 4.12Å; F59-I71 HydrophobicContact CB-CG2 4.15Å; F59-I71 HydrophobicContact CD1-CG2 4.43Å; F59-I71 HydrophobicContact CG-CD1 4.31Å; I61-I71 HydrophobicContact CG1-CG1 3.75Å; I71-G73 PolarHBondContact O-N 2.8Å; I71-G74 WeakPolarHBondContact O-CA 3.48Å; I71-G74 PolarHBondContact O-N 3.2Å
72A94.9Very high96.4Very high88 Ų8870 Ų7073%0.72741%0.414SS*.THydrogen-bonded Turntrans-52.8124.217900000111.9G74A72-G74 PolarHBondContact O-N 2.79Å
73G94.4Very high96.3Very high95 Ų9565.4 Ų65.498%0.97939%0.393SS*.THydrogen-bonded Turntrans75.10-17600000115.4I71I71-G73 PolarHBondContact O-N 2.8Å
74G95.7Very high96.2Very high47 Ų4760.6 Ų60.649%0.48538%0.38SS..SBendtrans-91179.417800000113.9I71 A72I71-G74 WeakPolarHBondContact O-CA 3.48Å; I71-G74 PolarHBondContact O-N 3.2Å; A72-G74 PolarHBondContact O-N 2.79Å
75K97.1Very high95.8Very high165 Ų16566.8 Ų66.872%0.71741%0.409SS*.  trans-71.2149.2172.9-174.1176.8174.9-173.70110.3H77K75-H77 PolarHBondContact O-CD2 3.16Å; K75-H77 PolarHBondContact O-NE2 3.06Å
76A97.8Very high95.9Very high44 Ų4460.6 Ų60.636%0.36438%0.379SS..  trans-85.3139.5171.600000111.4Y69Y69-A76 CarbonylContact O-C 3.59Å; Y69-A76 WeakPolarHBondContact O-CA 3.4Å
77H98.2Very high95.9Very high48 Ų4857.6 Ų57.622%0.22237%0.366CS..BIsolated β-bridgetrans-122.6148.2-179.5-60.1-104.5000110.1T68 Y69 K75 G79 E82 L83T68-H77 CarbonylContact C-O 3.56Å; T68-H77 VanDerWaalsContact CA-O 3.26Å; T68-H77 WeakPolarHBondContact CA-O 3.44Å; T68-H77 WeakPolarHBondContact CB-O 3.25Å; Y69-H77 PolarHBondContact N-O 2.94Å; Y69-H77 PolarHBondContact O-N 3.34Å; K75-H77 PolarHBondContact O-CD2 3.16Å; K75-H77 PolarHBondContact O-NE2 3.06Å; H77-G79 PolarHBondContact O-N 2.78Å; H77-E82 HydrophobicContact CB-CB 4.38Å; H77-E82 PolarHBondContact ND1-O 3.08Å; H77-L83 HydrophobicContact CB-CB 3.97Å
78C97.1Very high96Very high103 Ų10359.4 Ų59.470%0.69637%0.372SS*.SBendtrans-69.1-22.4-178-66.30000113.4
79G96.3Very high95.9Very high7 Ų761.5 Ų61.57%0.07239%0.385CS..SBendtrans-160.9172.2-178.900000112.5H77 A81 E82 L83H77-G79 PolarHBondContact O-N 2.78Å; G79-A81 PolarHBondContact O-N 2.92Å; G79-E82 VanDerWaalsContact C-OE2 3.25Å; G79-E82 WeakPolarHBondContact CA-OE2 3.38Å; G79-E82 PolarHBondContact N-OE2 2.88Å; G79-E82 VanDerWaalsContact N-OE2 3.1Å; G79-E82 PolarHBondContact O-N 3.32Å; G79-L83 PolarHBondContact O-N 2.9Å
80P95.5Very high95.8Very high6 Ų664.3 Ų64.34%0.03941%0.405CS..Hα-helixtrans-65.9-27.1176.225.2-32.6000112.7A5 L8 L36 Y46 C84A5-P80 HydrophobicContact CB-CB 4.17Å; A5-P80 HydrophobicContact CB-CG 3.8Å; L8-P80 HydrophobicContact CD1-CB 4.22Å; L8-P80 HydrophobicContact CD1-CG 4.37Å; L36-P80 HydrophobicContact CD2-CB 3.72Å; Y46-P80 HydrophobicContact CD2-CB 4.22Å; Y46-P80 HydrophobicContact CE2-CB 3.89Å; Y46-P80 HydrophobicContact CE2-CG 4.02Å; P80-C84 PolarHBondContact O-N 3.3Å
81A95.9Very high95.7Very high18 Ų1868.2 Ų68.215%0.14943%0.429CS..Hα-helixtrans-67.2-48.8176.600000111L8 G79 L83 C84 Q85L8-A81 HydrophobicContact CD1-CB 4.39Å; L8-A81 HydrophobicContact CD2-CB 3.94Å; G79-A81 PolarHBondContact O-N 2.92Å; A81-L83 PolarHBondContact O-N 3.29Å; A81-C84 PolarHBondContact O-N 2.81Å; A81-C84 VanDerWaalsContact O-N 3.17Å; A81-Q85 WeakPolarHBondContact O-CG 3.19Å; A81-Q85 PolarHBondContact O-N 3.22Å
82E96.3Very high95.5Very high87 Ų8769.4 Ų69.441%0.40744%0.441SS..Hα-helixtrans-70.9-18.6-179.9-60.484.816800113.2H77 G79H77-E82 HydrophobicContact CB-CB 4.38Å; H77-E82 PolarHBondContact ND1-O 3.08Å; G79-E82 VanDerWaalsContact C-OE2 3.25Å; G79-E82 WeakPolarHBondContact CA-OE2 3.38Å; G79-E82 PolarHBondContact N-OE2 2.88Å; G79-E82 VanDerWaalsContact N-OE2 3.1Å; G79-E82 PolarHBondContact O-N 3.32Å
83L95.9Very high95.6Very high20 Ų2067.9 Ų67.911%0.10542%0.419CS..Hα-helixtrans-76.3-28.1173.1-170.4148.8000111.9I61 H77 G79 A81I61-L83 HydrophobicContact CD1-CD1 4Å; I61-L83 HydrophobicContact CD1-CD2 3.54Å; I61-L83 HydrophobicContact CD1-CG 4.45Å; I61-L83 HydrophobicContact CG1-CD1 4.06Å; I61-L83 HydrophobicContact CG1-CD2 4.25Å; I61-L83 HydrophobicContact CG2-CD1 3.68Å; H77-L83 HydrophobicContact CB-CB 3.97Å; G79-L83 PolarHBondContact O-N 2.9Å; A81-L83 PolarHBondContact O-N 3.29Å
84C93.7Very high95.7Very high34 Ų3465.7 Ų65.723%0.2337%0.372CS..  trans-100.43.9-177.1-66.20000114.4F10 F34 P80 A81F10-C84 HydrophobicContact CE2-CB 3.99Å; F10-C84 HydrophobicContact CZ-CB 3.87Å; F34-C84 HydrophobicContact CE2-CB 4.28Å; F34-C84 HydrophobicContact CZ-CB 4.5Å; P80-C84 PolarHBondContact O-N 3.3Å; A81-C84 PolarHBondContact O-N 2.81Å; A81-C84 VanDerWaalsContact O-N 3.17Å
85Q88.9Confident95.7Very high209 Ų20967.4 Ų67.498%0.97736%0.362SS*.  trans-93.40174.2-74.6174.515.200111.2A81A81-Q85 WeakPolarHBondContact O-CG 3.19Å; A81-Q85 PolarHBondContact O-N 3.22Å

Retrieved 85 of 85 residues in 16.8 ms (Link to these results)

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