A0A077YYX9_TRITR Loading...

Lig chan and SBP bac 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYX9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 405 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
1M29.4Very low58Low225 Ų225111.5 Ų111.5100%1.10858%0.576SS**  0124.20-92.1167.3165.700107.1
2K29.8Very low60.6Low156 Ų156106.9 Ų106.968%0.67855%0.546SS*.  trans-70.7149.4171.8-81.6167.7159.5-157.30109.3E6K2-E6 VanDerWaalsContact CB-OE2 3.3Å; K2-E6 WeakPolarHBondContact CB-OE2 3.46Å; K2-E6 WeakPolarHBondContact CD-OE2 3.36Å; K2-E6 WeakPolarHBondContact CG-OE2 3.48Å; K2-E6 IonicContact NZ-OE2 2.72Å
3P28.7Very low62.8Low82 Ų82102.8 Ų102.853%0.53253%0.525SS..  trans-60.7148-17223.9-32.7000112.4T5 E6P3-T5 PolarHBondContact O-N 3.37Å; P3-E6 PolarHBondContact O-N 3.26Å
4E40.6Very low64.8Low207 Ų20795.4 Ų95.497%0.96749%0.488SS*.THydrogen-bonded Turntrans-58.1-5.6-172.7-69.9-178.7149.800115.9
5T45.6Very low66.5Low126 Ų12690.5 Ų90.577%0.77346%0.463SS*.THydrogen-bonded Turntrans-88.9-9.517449.60000114P3P3-T5 PolarHBondContact O-N 3.37Å
6E60.8Low67.9Low94 Ų9485.6 Ų85.644%0.43944%0.439SS..SBendtrans-90.8121172.4-74-171.315400110.2K2 P3 T8K2-E6 VanDerWaalsContact CB-OE2 3.3Å; K2-E6 WeakPolarHBondContact CB-OE2 3.46Å; K2-E6 WeakPolarHBondContact CD-OE2 3.36Å; K2-E6 WeakPolarHBondContact CG-OE2 3.48Å; K2-E6 IonicContact NZ-OE2 2.72Å; P3-E6 PolarHBondContact O-N 3.26Å; E6-T8 PolarHBondContact O-N 2.99Å
7W66.7Low69.1Low144 Ų14484.2 Ų84.255%0.54543%0.433SS..  trans-57.9135.6168.7-62.189.1000109W12 N30W7-W12 HydrophobicContact CB-CD2 3.85Å; W7-W12 HydrophobicContact CB-CE3 4.3Å; W7-W12 HydrophobicContact CB-CG 4.1Å; W7-W12 HydrophobicContact CB-CZ2 4.34Å; W7-W12 PolarHBondContact O-NE1 3.15Å; W7-W12 VanDerWaalsContact O-NE1 3.1Å; W7-N30 WeakPolarHBondContact CZ2-OD1 3.37Å
8T74.8Confident70.2Confident114 Ų11479.8 Ų79.870%0.69941%0.41SS*.  trans-132146.8-177.749.80000110.1E6E6-T8 PolarHBondContact O-N 2.99Å
9G82.7Confident71.2Confident34 Ų3476.2 Ų76.235%0.35139%0.393SS..SBendtrans142157.1175.800000111.9V11 W12 D13G9-V11 VanDerWaalsContact C-N 3.34Å; G9-V11 PolarHBondContact O-N 2.99Å; G9-W12 WeakPolarHBondContact O-CA 3.28Å; G9-W12 WeakPolarHBondContact O-CB 3.47Å; G9-W12 PolarHBondContact O-N 3.44Å; G9-D13 VanDerWaalsContact O-CG 3.31Å; G9-D13 PolarHBondContact O-N 3.49Å
10M89.2Confident72.1Confident28 Ų2879.5 Ų79.514%0.13841%0.405CS..Hα-helixtrans-50.4-49.3-174-177.6-155.6-57.200113.8W12 D13 I14 F80 Y333 V334 S337 I338M10-W12 VanDerWaalsContact C-N 3.3Å; M10-W12 PolarHBondContact O-N 3.35Å; M10-D13 PolarHBondContact O-N 2.94Å; M10-I14 HydrophobicContact CG-CD1 3.9Å; M10-I14 VanDerWaalsContact O-CG1 3.25Å; M10-I14 WeakPolarHBondContact O-CG1 3.49Å; M10-I14 PolarHBondContact O-N 3.46Å; M10-I14 HydrophobicContact SD-CD1 4.43Å; M10-F80 HydrophobicContact SD-CD1 4.4Å; M10-F80 HydrophobicContact SD-CE1 4.48Å; M10-Y333 HydrophobicContact CG-CE1 4.45Å; M10-V334 HydrophobicContact CE-CG1 4.28Å; M10-V334 HydrophobicContact SD-CB 4.4Å; M10-V334 HydrophobicContact SD-CG1 3.79Å; M10-V334 HydrophobicContact SD-CG2 4.42Å; M10-S337 WeakPolarHBondContact CB-OG 3.33Å; M10-I338 HydrophobicContact CE-CB 4.46Å; M10-I338 HydrophobicContact CE-CD1 4.04Å; M10-I338 HydrophobicContact CE-CG1 3.27Å
11V90Very high72.8Confident17 Ų1779.5 Ų79.510%0.10341%0.412CS..Hα-helixtrans-65.1-39-178.7179.60000110.7G9 L15 A62 L79 I305G9-V11 VanDerWaalsContact C-N 3.34Å; G9-V11 PolarHBondContact O-N 2.99Å; V11-L15 HydrophobicContact CG1-CD1 3.98Å; V11-L15 HydrophobicContact CG1-CG 4.3Å; V11-L15 WeakPolarHBondContact O-CB 3.33Å; V11-L15 VanDerWaalsContact O-CG 3.23Å; V11-L15 WeakPolarHBondContact O-CG 3.38Å; V11-L15 PolarHBondContact O-N 3.4Å; V11-A62 HydrophobicContact CG2-CB 3.76Å; V11-L79 HydrophobicContact CG2-CD1 4.12Å; V11-I305 HydrophobicContact CG1-CD1 3.93Å; V11-I305 HydrophobicContact CG1-CG1 4.08Å
12W89.3Confident75.5Confident56 Ų5672.2 Ų72.221%0.21238%0.377CS..Hα-helixtrans-63.9-45.4175.9179.7-101.7000111.5W7 G9 M10 I14 L15 S16 Y26 I28W7-W12 HydrophobicContact CB-CD2 3.85Å; W7-W12 HydrophobicContact CB-CE3 4.3Å; W7-W12 HydrophobicContact CB-CG 4.1Å; W7-W12 HydrophobicContact CB-CZ2 4.34Å; W7-W12 PolarHBondContact O-NE1 3.15Å; W7-W12 VanDerWaalsContact O-NE1 3.1Å; G9-W12 WeakPolarHBondContact O-CA 3.28Å; G9-W12 WeakPolarHBondContact O-CB 3.47Å; G9-W12 PolarHBondContact O-N 3.44Å; M10-W12 VanDerWaalsContact C-N 3.3Å; M10-W12 PolarHBondContact O-N 3.35Å; W12-I14 PolarHBondContact O-N 2.96Å; W12-L15 PolarHBondContact O-N 3.49Å; W12-S16 WeakPolarHBondContact O-CB 3.29Å; W12-S16 PolarHBondContact O-N 3.01Å; W12-S16 PolarHBondContact O-OG 3.42Å; W12-Y26 HydrophobicContact CH2-CD2 4.43Å; W12-Y26 AromaticContact CH2-CE2 3.58Å; W12-Y26 HydrophobicContact CH2-CE2 3.58Å; W12-Y26 AromaticContact CH2-CZ 3.96Å; W12-Y26 HydrophobicContact CZ2-CE2 4.26Å; W12-Y26 HydrophobicContact CZ3-CE2 4.47Å; W12-I28 HydrophobicContact CH2-CD1 3.35Å; W12-I28 HydrophobicContact CH2-CG1 3.87Å; W12-I28 HydrophobicContact CZ2-CD1 4.15Å; W12-I28 HydrophobicContact CZ3-CD1 3.89Å; W12-I28 HydrophobicContact CZ3-CG1 4.16Å
13D89.4Confident78.4Confident53 Ų5372 Ų7228%0.28338%0.383SS..Hα-helixtrans-61-48.3179.8-63.1-26.8000110.5G9 M10 L15 S16 D17 Y333G9-D13 VanDerWaalsContact O-CG 3.31Å; G9-D13 PolarHBondContact O-N 3.49Å; M10-D13 PolarHBondContact O-N 2.94Å; D13-L15 PolarHBondContact O-N 3.43Å; D13-S16 PolarHBondContact O-N 3.19Å; D13-S16 PolarHBondContact O-OG 3.34Å; D13-D17 PolarHBondContact O-N 2.97Å; D13-Y333 VanDerWaalsContact CB-OH 3.24Å; D13-Y333 WeakPolarHBondContact CB-OH 3.48Å
14I90.5Very high81.1Confident0 Ų070.9 Ų70.90%037%0.372CS..Hα-helixtrans-55.5-52.7174.8-69168.1000110.9M10 W12 S16 D17 I18 L79 I325 F328 Y333 V334M10-I14 HydrophobicContact CG-CD1 3.9Å; M10-I14 VanDerWaalsContact O-CG1 3.25Å; M10-I14 WeakPolarHBondContact O-CG1 3.49Å; M10-I14 PolarHBondContact O-N 3.46Å; M10-I14 HydrophobicContact SD-CD1 4.43Å; W12-I14 PolarHBondContact O-N 2.96Å; I14-S16 VanDerWaalsContact C-N 3.32Å; I14-S16 PolarHBondContact O-N 2.82Å; I14-D17 PolarHBondContact O-N 3.36Å; I14-I18 HydrophobicContact CG2-CD1 3.82Å; I14-I18 VanDerWaalsContact O-CG1 3.28Å; I14-I18 WeakPolarHBondContact O-CG1 3.27Å; I14-I18 PolarHBondContact O-N 2.79Å; I14-L79 HydrophobicContact CD1-CD2 4.12Å; I14-I325 HydrophobicContact CG2-CD1 3.56Å; I14-F328 HydrophobicContact CG1-CB 4.45Å; I14-F328 HydrophobicContact CG1-CD1 4.08Å; I14-F328 HydrophobicContact CG1-CD2 4.4Å; I14-F328 HydrophobicContact CG1-CE1 4.41Å; I14-F328 HydrophobicContact CG1-CG 4.07Å; I14-F328 HydrophobicContact CG2-CD2 3.83Å; I14-F328 HydrophobicContact CG2-CE2 4.05Å; I14-F328 HydrophobicContact CG2-CG 4.32Å; I14-Y333 HydrophobicContact CD1-CD1 4.49Å; I14-Y333 HydrophobicContact CD1-CE1 4.46Å; I14-Y333 HydrophobicContact CG1-CD1 4.18Å; I14-Y333 HydrophobicContact CG1-CE1 3.92Å; I14-V334 HydrophobicContact CD1-CG2 4.16Å
15L90.2Very high83.5Confident22 Ų2270.7 Ų70.712%0.11537%0.368CS..Hα-helixtrans-65.7-36-178.2-69.8-178.9000112.3V11 W12 D13 A19 L58 I305 F317V11-L15 HydrophobicContact CG1-CD1 3.98Å; V11-L15 HydrophobicContact CG1-CG 4.3Å; V11-L15 WeakPolarHBondContact O-CB 3.33Å; V11-L15 VanDerWaalsContact O-CG 3.23Å; V11-L15 WeakPolarHBondContact O-CG 3.38Å; V11-L15 PolarHBondContact O-N 3.4Å; W12-L15 PolarHBondContact O-N 3.49Å; D13-L15 PolarHBondContact O-N 3.43Å; L15-A19 WeakPolarHBondContact O-CB 3.22Å; L15-A19 PolarHBondContact O-N 3.49Å; L15-L58 HydrophobicContact CD1-CD2 3.91Å; L15-L58 HydrophobicContact CD2-CD2 3.6Å; L15-L58 HydrophobicContact CG-CD2 4.38Å; L15-I305 HydrophobicContact CD2-CD1 3.97Å; L15-I305 HydrophobicContact CG-CD1 4.29Å; L15-F317 HydrophobicContact CD2-CE1 3.92Å
16S89.1Confident85.5Confident11 Ų1171.1 Ų71.18%0.07736%0.357CS..Hα-helixtrans-67.2-38178.682.10000111.7W12 D13 I14 A19 K20W12-S16 WeakPolarHBondContact O-CB 3.29Å; W12-S16 PolarHBondContact O-N 3.01Å; W12-S16 PolarHBondContact O-OG 3.42Å; D13-S16 PolarHBondContact O-N 3.19Å; D13-S16 PolarHBondContact O-OG 3.34Å; I14-S16 VanDerWaalsContact C-N 3.32Å; I14-S16 PolarHBondContact O-N 2.82Å; S16-A19 PolarHBondContact O-N 3.18Å; S16-K20 VanDerWaalsContact O-CG 3.26Å; S16-K20 WeakPolarHBondContact O-CG 3.28Å; S16-K20 PolarHBondContact O-N 3.44Å
17D88.5Confident86.9Confident63 Ų6375.6 Ų75.634%0.33738%0.375SS..Hα-helixtrans-76.3-35179.4-76.5-7.8000111.6D13 I14 K20 S21 F328D13-D17 PolarHBondContact O-N 2.97Å; I14-D17 PolarHBondContact O-N 3.36Å; D17-K20 PolarHBondContact O-N 2.88Å; D17-K20 IonicContact OD1-NZ 2.83Å; D17-K20 PolarHBondContact OD1-NZ 3.32Å; D17-S21 WeakPolarHBondContact O-CB 3.42Å; D17-S21 PolarHBondContact O-N 3.46Å; D17-S21 PolarHBondContact O-OG 2.92Å; D17-F328 HydrophobicContact CB-CZ 3.93Å
18I88.4Confident87.9Confident5 Ų572.1 Ų72.13%0.02637%0.366CS..Hα-helixtrans-61.1-45.2168-69.1171.9000110.8I14 K20 S21 L22 F317 L324 I325 F328I14-I18 HydrophobicContact CG2-CD1 3.82Å; I14-I18 VanDerWaalsContact O-CG1 3.28Å; I14-I18 WeakPolarHBondContact O-CG1 3.27Å; I14-I18 PolarHBondContact O-N 2.79Å; I18-K20 VanDerWaalsContact C-N 3.34Å; I18-K20 PolarHBondContact O-N 2.87Å; I18-S21 PolarHBondContact O-N 3.3Å; I18-S21 PolarHBondContact O-OG 2.92Å; I18-L22 HydrophobicContact CG2-CD1 3.97Å; I18-L22 WeakPolarHBondContact O-CB 3.33Å; I18-L22 PolarHBondContact O-N 2.97Å; I18-L22 VanDerWaalsContact O-N 3.16Å; I18-F317 HydrophobicContact CD1-CE1 3.99Å; I18-F317 HydrophobicContact CG2-CE1 4.46Å; I18-F317 HydrophobicContact CG2-CZ 4.29Å; I18-L324 HydrophobicContact CD1-CB 4Å; I18-L324 HydrophobicContact CG1-CB 4Å; I18-L324 HydrophobicContact CG1-CD1 4.19Å; I18-L324 HydrophobicContact CG2-CD1 3.88Å; I18-I325 HydrophobicContact CD1-CD1 3.64Å; I18-I325 HydrophobicContact CD1-CG1 4.4Å; I18-F328 HydrophobicContact CD1-CE2 4.32Å; I18-F328 HydrophobicContact CG1-CE2 3.97Å
19A89.1Confident88.5Confident11 Ų1170.3 Ų70.39%0.09136%0.355CS..Hα-helixtrans-63.6-40.2179.500000112.1L15 S16 N23 I24 Y26L15-A19 WeakPolarHBondContact O-CB 3.22Å; L15-A19 PolarHBondContact O-N 3.49Å; S16-A19 PolarHBondContact O-N 3.18Å; A19-N23 CarbonylContact O-C 3.54Å; A19-N23 WeakPolarHBondContact O-CA 3.27Å; A19-N23 PolarHBondContact O-N 3.5Å; A19-I24 PolarHBondContact O-N 3.42Å; A19-Y26 HydrophobicContact CB-CD1 3.74Å; A19-Y26 HydrophobicContact CB-CE1 3.8Å
20K89.5Confident88.4Confident142 Ų14274 Ų7462%0.61737%0.367SS*.Hα-helixtrans-67-45.8176.5-71.8168-160.6152.40112.3S16 D17 I18 L22 N23S16-K20 VanDerWaalsContact O-CG 3.26Å; S16-K20 WeakPolarHBondContact O-CG 3.28Å; S16-K20 PolarHBondContact O-N 3.44Å; D17-K20 PolarHBondContact O-N 2.88Å; D17-K20 IonicContact OD1-NZ 2.83Å; D17-K20 PolarHBondContact OD1-NZ 3.32Å; I18-K20 VanDerWaalsContact C-N 3.34Å; I18-K20 PolarHBondContact O-N 2.87Å; K20-L22 VanDerWaalsContact C-N 3.26Å; K20-L22 PolarHBondContact O-N 2.86Å; K20-N23 PolarHBondContact O-N 3.43Å
21S87Confident87.6Confident80 Ų8075.6 Ų75.656%0.55937%0.374SS*.Hα-helixtrans-65.3-32-176.864.90000112.6D17 I18D17-S21 WeakPolarHBondContact O-CB 3.42Å; D17-S21 PolarHBondContact O-N 3.46Å; D17-S21 PolarHBondContact O-OG 2.92Å; I18-S21 PolarHBondContact O-N 3.3Å; I18-S21 PolarHBondContact O-OG 2.92Å
22L86.7Confident86.2Confident72 Ų7279.7 Ų79.738%0.37740%0.403SS..THydrogen-bonded Turntrans-981.8178.8-61.3175.5000113.9I18 K20 I24 L316 L324I18-L22 HydrophobicContact CG2-CD1 3.97Å; I18-L22 WeakPolarHBondContact O-CB 3.33Å; I18-L22 PolarHBondContact O-N 2.97Å; I18-L22 VanDerWaalsContact O-N 3.16Å; K20-L22 VanDerWaalsContact C-N 3.26Å; K20-L22 PolarHBondContact O-N 2.86Å; L22-I24 VanDerWaalsContact C-N 3.25Å; L22-I24 HydrophobicContact CB-CD1 3.59Å; L22-I24 HydrophobicContact CB-CG1 3.74Å; L22-I24 HydrophobicContact CD1-CD1 3.73Å; L22-I24 HydrophobicContact CG-CD1 4.35Å; L22-I24 PolarHBondContact O-N 3.03Å; L22-L316 HydrophobicContact CD1-CD1 3.5Å; L22-L324 HydrophobicContact CD1-CD1 3.72Å; L22-L324 HydrophobicContact CD2-CD1 4.49Å; L22-L324 HydrophobicContact CG-CD1 4.19Å
23N89Confident84.6Confident150 Ų15084 Ų8480%0.80242%0.423SS*.THydrogen-bonded Turntrans52.840.4-176.7-155.616.8000113.6A19 K20A19-N23 CarbonylContact O-C 3.54Å; A19-N23 WeakPolarHBondContact O-CA 3.27Å; A19-N23 PolarHBondContact O-N 3.5Å; K20-N23 PolarHBondContact O-N 3.43Å
24I86.9Confident83.2Confident60 Ų6090.7 Ų90.731%0.30845%0.452SS..  trans-89131.1-178.7-64.1168.8000109.8A19 L22 L313A19-I24 PolarHBondContact O-N 3.42Å; L22-I24 VanDerWaalsContact C-N 3.25Å; L22-I24 HydrophobicContact CB-CD1 3.59Å; L22-I24 HydrophobicContact CB-CG1 3.74Å; L22-I24 HydrophobicContact CD1-CD1 3.73Å; L22-I24 HydrophobicContact CG-CD1 4.35Å; L22-I24 PolarHBondContact O-N 3.03Å; I24-L313 HydrophobicContact CD1-CD1 3.88Å
25K90Very high82.2Confident203 Ų20392.1 Ų92.188%0.88347%0.467SS*.  trans-86.1136.1168.1-64.1-175.4-178.7-179.60109.9
26Y88.5Confident81.6Confident134 Ų13492.8 Ų92.853%0.52547%0.472SS..  trans-129.1156177.559.9-96.6000110.9W12 A19 I28W12-Y26 HydrophobicContact CH2-CD2 4.43Å; W12-Y26 AromaticContact CH2-CE2 3.58Å; W12-Y26 HydrophobicContact CH2-CE2 3.58Å; W12-Y26 AromaticContact CH2-CZ 3.96Å; W12-Y26 HydrophobicContact CZ2-CE2 4.26Å; W12-Y26 HydrophobicContact CZ3-CE2 4.47Å; A19-Y26 HydrophobicContact CB-CD1 3.74Å; A19-Y26 HydrophobicContact CB-CE1 3.8Å; Y26-I28 HydrophobicContact CD2-CG1 4.19Å; Y26-I28 HydrophobicContact CE2-CD1 4.45Å; Y26-I28 HydrophobicContact CE2-CG1 4.14Å
27K89.8Confident81Confident188 Ų18892.6 Ų92.682%0.81747%0.472SS*.  trans-121.9125.8171.4-178.4-179.4177.8-177.30108.7
28I87.7Confident80.4Confident72 Ų7291.9 Ų91.937%0.36947%0.467SS..  trans-79128.2176.6-51.9174.4000108.4W12 Y26W12-I28 HydrophobicContact CH2-CD1 3.35Å; W12-I28 HydrophobicContact CH2-CG1 3.87Å; W12-I28 HydrophobicContact CZ2-CD1 4.15Å; W12-I28 HydrophobicContact CZ3-CD1 3.89Å; W12-I28 HydrophobicContact CZ3-CG1 4.16Å; Y26-I28 HydrophobicContact CD2-CG1 4.19Å; Y26-I28 HydrophobicContact CE2-CD1 4.45Å; Y26-I28 HydrophobicContact CE2-CG1 4.14Å
29V86.5Confident80Confident75 Ų7597.4 Ų97.446%0.45549%0.491SS..  trans-108110.7171.6-177.70000107.5M50 V56V29-M50 HydrophobicContact CG1-CE 3.81Å; V29-V56 HydrophobicContact CB-CG1 3.97Å; V29-V56 HydrophobicContact CG1-CG1 4.23Å; V29-V56 HydrophobicContact CG2-CG1 4.18Å
30N80.6Confident79.6Confident113 Ų113104 Ų10460%0.60451%0.513SS*.  trans-72.6138.9177-78.4-8.2000110.5W7W7-N30 WeakPolarHBondContact CZ2-OD1 3.37Å
31H72.6Confident79.2Confident61 Ų61106.9 Ų106.928%0.28253%0.529SS..  trans-115.3128.9175-168.669.4000110.1F33 S46 V47 M50H31-F33 AromaticContact CE1-CD2 3.41Å; H31-F33 VanDerWaalsContact CE1-CD2 3.41Å; H31-F33 WeakPolarHBondContact CE1-CD2 3.36Å; H31-F33 WeakPolarHBondContact NE2-CB 3.41Å; H31-F33 AromaticContact NE2-CD2 3.67Å; H31-F33 AromaticContact NE2-CG 3.95Å; H31-S46 PolarHBondContact CD2-OG 2.94Å; H31-S46 WeakPolarHBondContact NE2-CA 3.43Å; H31-S46 WeakPolarHBondContact NE2-CB 3.41Å; H31-S46 PolarHBondContact NE2-OG 3.39Å; H31-V47 HydrophobicContact CB-CG1 3.9Å; H31-M50 HydrophobicContact CB-SD 4.48Å; H31-M50 PolarHBondContact ND1-SD 2.93Å
32S60.8Low79Confident102 Ų102105.2 Ų105.271%0.71353%0.525SS*.  trans-98.2-4.7-17548.50000114.4
33F56.4Low79Confident148 Ų148107.6 Ų107.665%0.64953%0.534SS*.SBendtrans-91.1149.1-173.6-60.7-94.6000114.4H31 G35H31-F33 AromaticContact CE1-CD2 3.41Å; H31-F33 VanDerWaalsContact CE1-CD2 3.41Å; H31-F33 WeakPolarHBondContact CE1-CD2 3.36Å; H31-F33 WeakPolarHBondContact NE2-CB 3.41Å; H31-F33 AromaticContact NE2-CD2 3.67Å; H31-F33 AromaticContact NE2-CG 3.95Å; F33-G35 PolarHBondContact O-N 3.44Å
34H60.5Low78.9Confident192 Ų192100.7 Ų100.789%0.88950%0.497SS*.SBendtrans-7784.3-176.7-61-56.4000112.6
35G69.5Low78.7Confident31 Ų31100.6 Ų100.632%0.3250%0.499SS..SBendtrans143.6-172.9170.600000112.9F33 S46F33-G35 PolarHBondContact O-N 3.44Å; G35-S46 PolarHBondContact O-OG 2.68Å
36V75.6Confident78.5Confident35 Ų3591.7 Ų91.721%0.21246%0.463CS..SBendtrans-100.9-19.5178.1-146.40000112.2V47 I48 I61 I63V36-V47 HydrophobicContact CB-CG2 4.31Å; V36-V47 HydrophobicContact CG1-CG2 3.45Å; V36-V47 VanDerWaalsContact CG1-CG2 3.45Å; V36-V47 WeakPolarHBondContact O-CG2 3.39Å; V36-I48 WeakPolarHBondContact O-CD1 3.16Å; V36-I48 WeakPolarHBondContact O-CG1 3.31Å; V36-I48 PolarHBondContact O-N 3.41Å; V36-I61 HydrophobicContact CG1-CD1 4.16Å; V36-I63 HydrophobicContact CB-CD1 4.09Å; V36-I63 HydrophobicContact CG1-CB 4.49Å; V36-I63 HydrophobicContact CG1-CD1 3.21Å; V36-I63 HydrophobicContact CG1-CG1 3.78Å
37G76.8Confident78.5Confident8 Ų886.3 Ų86.38%0.08244%0.444CS..  trans131.5137.9176.900000112.7T45G37-T45 WeakPolarHBondContact CA-O 3.37Å
38E77.6Confident78.4Confident47 Ų4777.4 Ų77.422%0.2241%0.405CS..  trans-114.9145.4173.6-67.4175.7-161.300109.9R40 T45 T226E38-R40 HydrophobicContact CB-CG 4.32Å; E38-R40 PolarHBondContact O-N 3.01Å; E38-R40 IonicContact OE1-NH2 2.83Å; E38-R40 IonicContact OE2-CZ 2.66Å; E38-R40 IonicContact OE2-NE 3.59Å; E38-R40 PolarHBondContact OE2-NE 3.35Å; E38-R40 IonicContact OE2-NH2 3.17Å; E38-R40 PolarHBondContact OE2-NH2 2.91Å; E38-T45 PolarHBondContact N-OG1 3.45Å; E38-T45 PolarHBondContact O-N 3.26Å; E38-T45 PolarHBondContact O-OG1 2.92Å; E38-T226 VanDerWaalsContact CD-CB 3.49Å; E38-T226 VanDerWaalsContact CD-CG2 3.48Å; E38-T226 HydrophobicContact CG-CG2 4.3Å; E38-T226 WeakPolarHBondContact CG-OG1 3.25Å; E38-T226 VanDerWaalsContact OE1-CB 3.23Å; E38-T226 WeakPolarHBondContact OE1-CB 3.28Å; E38-T226 WeakPolarHBondContact OE1-CG2 3.36Å; E38-T226 PolarHBondContact OE1-OG1 3.18Å
39F80.1Confident78.5Confident122 Ų12274 Ų7454%0.53539%0.387SS..EExtended strand (participates in β ladder)trans-79.8114.1169.5-169.2-108.8000109.4G42 W44F39-G42 VanDerWaalsContact CZ-CA 3.49Å; F39-W44 HydrophobicContact CB-CD2 4.14Å; F39-W44 HydrophobicContact CB-CE3 4.15Å; F39-W44 HydrophobicContact CB-CH2 4.02Å; F39-W44 HydrophobicContact CB-CZ2 4Å; F39-W44 HydrophobicContact CB-CZ3 4.09Å; F39-W44 AromaticContact CD2-CD1 3.75Å; F39-W44 HydrophobicContact CD2-CD2 4.05Å; F39-W44 AromaticContact CD2-CE2 3.67Å; F39-W44 HydrophobicContact CD2-CG 4.13Å; F39-W44 HydrophobicContact CD2-CZ2 4.19Å; F39-W44 AromaticContact CD2-NE1 3.48Å; F39-W44 AromaticContact CE2-NE1 3.99Å; F39-W44 HydrophobicContact CG-CZ2 4.41Å
40R79.2Confident78.7Confident149 Ų14971.4 Ų71.456%0.56237%0.37SS*.EExtended strand (participates in β ladder)trans-135.6130.5176.8-64.8-173.3-177.2-170.41.5108.7E38 G42 Q43E38-R40 HydrophobicContact CB-CG 4.32Å; E38-R40 PolarHBondContact O-N 3.01Å; E38-R40 IonicContact OE1-NH2 2.83Å; E38-R40 IonicContact OE2-CZ 2.66Å; E38-R40 IonicContact OE2-NE 3.59Å; E38-R40 PolarHBondContact OE2-NE 3.35Å; E38-R40 IonicContact OE2-NH2 3.17Å; E38-R40 PolarHBondContact OE2-NH2 2.91Å; R40-G42 PolarHBondContact O-N 3.48Å; R40-G42 VanDerWaalsContact O-N 3.15Å; R40-Q43 PolarHBondContact N-O 3.42Å; R40-Q43 PolarHBondContact O-N 3.25Å
41E81.9Confident79.2Confident202 Ų20266.1 Ų66.194%0.94434%0.342SS*.THydrogen-bonded Turntrans53.738.9172.8-58.8177.1-18000113.9Q43E41-Q43 PolarHBondContact O-N 3.5Å
42G81.9Confident80.1Confident46 Ų4666.5 Ų66.547%0.47434%0.344SS..THydrogen-bonded Turntrans80.8-3.5179.500000115.1F39 R40F39-G42 VanDerWaalsContact CZ-CA 3.49Å; R40-G42 PolarHBondContact O-N 3.48Å; R40-G42 VanDerWaalsContact O-N 3.15Å
43Q86.7Confident81.5Confident122 Ų12267 Ų6757%0.5733%0.33SS*.EExtended strand (participates in β ladder)trans-120.9148.2178.7-64.4-165.7-7.200112.1R40 E41R40-Q43 PolarHBondContact N-O 3.42Å; R40-Q43 PolarHBondContact O-N 3.25Å; E41-Q43 PolarHBondContact O-N 3.5Å
44W87Confident83.2Confident4 Ų467 Ų672%0.01533%0.33CS..EExtended strand (participates in β ladder)trans-84.7139.2168.9-71.289.4000110.5F39 I48 G49 D68 R69 V72F39-W44 HydrophobicContact CB-CD2 4.14Å; F39-W44 HydrophobicContact CB-CE3 4.15Å; F39-W44 HydrophobicContact CB-CH2 4.02Å; F39-W44 HydrophobicContact CB-CZ2 4Å; F39-W44 HydrophobicContact CB-CZ3 4.09Å; F39-W44 AromaticContact CD2-CD1 3.75Å; F39-W44 HydrophobicContact CD2-CD2 4.05Å; F39-W44 AromaticContact CD2-CE2 3.67Å; F39-W44 HydrophobicContact CD2-CG 4.13Å; F39-W44 HydrophobicContact CD2-CZ2 4.19Å; F39-W44 AromaticContact CD2-NE1 3.48Å; F39-W44 AromaticContact CE2-NE1 3.99Å; F39-W44 HydrophobicContact CG-CZ2 4.41Å; W44-I48 HydrophobicContact CB-CB 4.13Å; W44-I48 HydrophobicContact CB-CG2 3.65Å; W44-I48 HydrophobicContact CD2-CB 4.43Å; W44-I48 HydrophobicContact CD2-CG2 3.6Å; W44-I48 HydrophobicContact CE3-CB 4.23Å; W44-I48 HydrophobicContact CE3-CD1 3.94Å; W44-I48 HydrophobicContact CE3-CG2 3.82Å; W44-I48 HydrophobicContact CG-CB 4.43Å; W44-I48 HydrophobicContact CG-CG2 3.54Å; W44-I48 HydrophobicContact CZ3-CD1 4.05Å; W44-G49 WeakPolarHBondContact O-CA 3.42Å; W44-D68 WeakPolarHBondContact CH2-OD2 3.46Å; W44-R69 HydrophobicContact CH2-CG 3.61Å; W44-R69 HydrophobicContact CZ2-CG 3.89Å; W44-R69 HydrophobicContact CZ3-CG 4.12Å; W44-V72 HydrophobicContact CG-CG2 4.21Å
45T84.3Confident84.6Confident58 Ų5862.6 Ų62.636%0.35631%0.31SS..  trans-94.5171.9174.154.20000111G37 E38 G49G37-T45 WeakPolarHBondContact CA-O 3.37Å; E38-T45 PolarHBondContact N-OG1 3.45Å; E38-T45 PolarHBondContact O-N 3.26Å; E38-T45 PolarHBondContact O-OG1 2.92Å; T45-G49 PolarHBondContact O-N 3.22Å; T45-G49 VanDerWaalsContact O-N 3.12Å
46S85.6Confident85.7Confident17 Ų1762.1 Ų62.112%0.11930%0.301CS..Hα-helixtrans55.7-147.1175.8-170.30000113.7H31 G35 I48 G49 M50H31-S46 PolarHBondContact CD2-OG 2.94Å; H31-S46 WeakPolarHBondContact NE2-CA 3.43Å; H31-S46 WeakPolarHBondContact NE2-CB 3.41Å; H31-S46 PolarHBondContact NE2-OG 3.39Å; G35-S46 PolarHBondContact O-OG 2.68Å; S46-I48 VanDerWaalsContact C-N 3.34Å; S46-I48 PolarHBondContact O-N 3.33Å; S46-G49 WeakPolarHBondContact O-CA 3.44Å; S46-G49 PolarHBondContact O-N 2.96Å; S46-M50 WeakPolarHBondContact O-CG 3.31Å; S46-M50 PolarHBondContact O-N 3.5Å
47V87.2Confident86.5Confident21 Ų2164.1 Ų64.113%0.12731%0.31CS..Hα-helixtrans-64.6-33.2-172.3-61.90000113H31 V36 G49 M50 L51 L59H31-V47 HydrophobicContact CB-CG1 3.9Å; V36-V47 HydrophobicContact CB-CG2 4.31Å; V36-V47 HydrophobicContact CG1-CG2 3.45Å; V36-V47 VanDerWaalsContact CG1-CG2 3.45Å; V36-V47 WeakPolarHBondContact O-CG2 3.39Å; V47-G49 VanDerWaalsContact C-N 3.32Å; V47-M50 PolarHBondContact O-N 3.33Å; V47-L51 PolarHBondContact O-N 2.99Å; V47-L59 HydrophobicContact CB-CD2 3.93Å; V47-L59 HydrophobicContact CG2-CD2 4.23Å
48I88.6Confident87.2Confident0 Ų066 Ų660%032%0.318CS..Hα-helixtrans-65.8-40172.4-61.8161000110.3V36 W44 S46 M50 L51 Q52 I63 R69 V72 M73V36-I48 WeakPolarHBondContact O-CD1 3.16Å; V36-I48 WeakPolarHBondContact O-CG1 3.31Å; V36-I48 PolarHBondContact O-N 3.41Å; W44-I48 HydrophobicContact CB-CB 4.13Å; W44-I48 HydrophobicContact CB-CG2 3.65Å; W44-I48 HydrophobicContact CD2-CB 4.43Å; W44-I48 HydrophobicContact CD2-CG2 3.6Å; W44-I48 HydrophobicContact CE3-CB 4.23Å; W44-I48 HydrophobicContact CE3-CD1 3.94Å; W44-I48 HydrophobicContact CE3-CG2 3.82Å; W44-I48 HydrophobicContact CG-CB 4.43Å; W44-I48 HydrophobicContact CG-CG2 3.54Å; W44-I48 HydrophobicContact CZ3-CD1 4.05Å; S46-I48 VanDerWaalsContact C-N 3.34Å; S46-I48 PolarHBondContact O-N 3.33Å; I48-M50 VanDerWaalsContact C-N 3.31Å; I48-M50 PolarHBondContact O-N 2.95Å; I48-L51 WeakPolarHBondContact O-CB 2.97Å; I48-L51 PolarHBondContact O-N 3.47Å; I48-Q52 PolarHBondContact O-N 3.31Å; I48-I63 HydrophobicContact CD1-CD1 4.04Å; I48-I63 HydrophobicContact CG1-CD1 4.13Å; I48-R69 HydrophobicContact CD1-CG 4.25Å; I48-V72 HydrophobicContact CG2-CG2 3.76Å; I48-M73 HydrophobicContact CG1-SD 4.28Å; I48-M73 HydrophobicContact CG2-SD 4.42Å
49G89.1Confident87.8Confident0 Ų064.2 Ų64.20%031%0.31CS..Hα-helixtrans-60.8-39.5172.600000113.3W44 T45 S46 V47 L51 Q52 R53W44-G49 WeakPolarHBondContact O-CA 3.42Å; T45-G49 PolarHBondContact O-N 3.22Å; T45-G49 VanDerWaalsContact O-N 3.12Å; S46-G49 WeakPolarHBondContact O-CA 3.44Å; S46-G49 PolarHBondContact O-N 2.96Å; V47-G49 VanDerWaalsContact C-N 3.32Å; G49-L51 VanDerWaalsContact C-N 3.34Å; G49-Q52 PolarHBondContact O-N 3.47Å; G49-R53 WeakPolarHBondContact O-CG 3.13Å; G49-R53 PolarHBondContact O-N 3.18Å; G49-R53 PolarHBondContact O-NH1 2.75Å
50M90.6Very high88.2Confident21 Ų2160.5 Ų60.510%0.10331%0.306CS..Hα-helixtrans-64.3-39.3176.2-61.2-177.47700111.5V29 H31 S46 V47 I48 R53 K54 E55 V56V29-M50 HydrophobicContact CG1-CE 3.81Å; H31-M50 HydrophobicContact CB-SD 4.48Å; H31-M50 PolarHBondContact ND1-SD 2.93Å; S46-M50 WeakPolarHBondContact O-CG 3.31Å; S46-M50 PolarHBondContact O-N 3.5Å; V47-M50 PolarHBondContact O-N 3.33Å; I48-M50 VanDerWaalsContact C-N 3.31Å; I48-M50 PolarHBondContact O-N 2.95Å; M50-R53 PolarHBondContact O-N 3.24Å; M50-K54 PolarHBondContact O-N 2.93Å; M50-K54 VanDerWaalsContact O-N 3.11Å; M50-E55 HydrophobicContact CB-CB 4.19Å; M50-E55 HydrophobicContact CE-CB 4.31Å; M50-E55 WeakPolarHBondContact CG-OE2 3.16Å; M50-E55 PolarHBondContact O-N 3.5Å; M50-V56 HydrophobicContact CB-CG1 4.47Å; M50-V56 HydrophobicContact CB-CG2 3.74Å; M50-V56 HydrophobicContact CE-CG1 4Å
51L91.4Very high88.6Confident2 Ų257.3 Ų57.31%0.0130%0.299CS..Hα-helixtrans-62.3-45.6171.8-72.5171.6000111.5V47 I48 G49 R53 K54 V56 L59 M73 R308V47-L51 PolarHBondContact O-N 2.99Å; I48-L51 WeakPolarHBondContact O-CB 2.97Å; I48-L51 PolarHBondContact O-N 3.47Å; G49-L51 VanDerWaalsContact C-N 3.34Å; L51-R53 VanDerWaalsContact C-N 3.33Å; L51-R53 PolarHBondContact O-N 2.76Å; L51-K54 PolarHBondContact O-N 2.83Å; L51-V56 HydrophobicContact CD2-CG2 3.82Å; L51-V56 HydrophobicContact CG-CG2 4.01Å; L51-L59 HydrophobicContact CD1-CD1 3.88Å; L51-L59 HydrophobicContact CD1-CD2 3.8Å; L51-L59 HydrophobicContact CD1-CG 3.78Å; L51-L59 HydrophobicContact CD2-CD2 4.31Å; L51-L59 HydrophobicContact CG-CD2 3.97Å; L51-L59 HydrophobicContact CG-CG 4.39Å; L51-M73 HydrophobicContact CD1-CB 4Å; L51-M73 HydrophobicContact CD1-CE 4.2Å; L51-M73 HydrophobicContact CD1-SD 4Å; L51-R308 HydrophobicContact CD2-CB 4.11Å
52Q91.1Very high88.9Confident70 Ų7048.7 Ų48.733%0.32726%0.263SS..Hα-helixtrans-60.2-43179-174.3-17910.500111.6I48 G49 K54 V72I48-Q52 PolarHBondContact O-N 3.31Å; G49-Q52 PolarHBondContact O-N 3.47Å; Q52-K54 PolarHBondContact O-N 3.22Å; Q52-V72 HydrophobicContact CB-CB 4.19Å; Q52-V72 HydrophobicContact CB-CG1 4.4Å; Q52-V72 HydrophobicContact CG-CB 4.17Å; Q52-V72 HydrophobicContact CG-CG1 3.89Å
53R91.4Very high89.2Confident112 Ų11246.6 Ų46.642%0.42324%0.241SC..THydrogen-bonded Turntrans-79.11.3177-65.1-171.7-55.9-79.9-8.7113.7G49 M50 L51 E55G49-R53 WeakPolarHBondContact O-CG 3.13Å; G49-R53 PolarHBondContact O-N 3.18Å; G49-R53 PolarHBondContact O-NH1 2.75Å; M50-R53 PolarHBondContact O-N 3.24Å; L51-R53 VanDerWaalsContact C-N 3.33Å; L51-R53 PolarHBondContact O-N 2.76Å; R53-E55 HydrophobicContact CB-CG 4.07Å; R53-E55 IonicContact CZ-OE1 3.2Å; R53-E55 IonicContact CZ-OE2 2.61Å; R53-E55 IonicContact NE-OE1 3.94Å; R53-E55 PolarHBondContact NE-OE1 2.87Å; R53-E55 IonicContact NE-OE2 3.72Å; R53-E55 IonicContact NH2-OE1 3.8Å; R53-E55 PolarHBondContact NH2-OE1 3.25Å; R53-E55 IonicContact NH2-OE2 3.56Å; R53-E55 PolarHBondContact NH2-OE2 2.91Å; R53-E55 PolarHBondContact O-N 3.38Å
54K91.2Very high89.3Confident147 Ų14741.2 Ų41.264%0.63922%0.216SC*.THydrogen-bonded Turntrans57.330.5-177.5-53.5-179.6179.8177.10113.7M50 L51 Q52 V56M50-K54 PolarHBondContact O-N 2.93Å; M50-K54 VanDerWaalsContact O-N 3.11Å; L51-K54 PolarHBondContact O-N 2.83Å; Q52-K54 PolarHBondContact O-N 3.22Å; K54-V56 VanDerWaalsContact C-N 3.34Å
55E91Very high89.4Confident100 Ų10043.2 Ų43.247%0.46723%0.229SC..SBendtrans-77.8-24.8174.2-68.5168.9-173.300111.8M50 R53M50-E55 HydrophobicContact CB-CB 4.19Å; M50-E55 HydrophobicContact CE-CB 4.31Å; M50-E55 WeakPolarHBondContact CG-OE2 3.16Å; M50-E55 PolarHBondContact O-N 3.5Å; R53-E55 HydrophobicContact CB-CG 4.07Å; R53-E55 IonicContact CZ-OE1 3.2Å; R53-E55 IonicContact CZ-OE2 2.61Å; R53-E55 IonicContact NE-OE1 3.94Å; R53-E55 PolarHBondContact NE-OE1 2.87Å; R53-E55 IonicContact NE-OE2 3.72Å; R53-E55 IonicContact NH2-OE1 3.8Å; R53-E55 PolarHBondContact NH2-OE1 3.25Å; R53-E55 IonicContact NH2-OE2 3.56Å; R53-E55 PolarHBondContact NH2-OE2 2.91Å; R53-E55 PolarHBondContact O-N 3.38Å
56V92Very high89.5Confident21 Ų2141.1 Ų41.113%0.12721%0.214CC..  trans-134.5148.4175.8-63.30000110V29 M50 L51 K54V29-V56 HydrophobicContact CB-CG1 3.97Å; V29-V56 HydrophobicContact CG1-CG1 4.23Å; V29-V56 HydrophobicContact CG2-CG1 4.18Å; M50-V56 HydrophobicContact CB-CG1 4.47Å; M50-V56 HydrophobicContact CB-CG2 3.74Å; M50-V56 HydrophobicContact CE-CG1 4Å; L51-V56 HydrophobicContact CD2-CG2 3.82Å; L51-V56 HydrophobicContact CG-CG2 4.01Å; K54-V56 VanDerWaalsContact C-N 3.34Å
57D92Very high89.5Confident78 Ų7845.6 Ų45.642%0.41724%0.243SC..SBendtrans-91.3-37.9-179.2-69.1-57.5000113.1Y307 R308 F311D57-Y307 WeakPolarHBondContact O-CA 3.48Å; D57-Y307 VanDerWaalsContact O-CB 3.31Å; D57-Y307 WeakPolarHBondContact O-CB 3.41Å; D57-R308 PolarHBondContact O-N 2.91Å; D57-R308 IonicContact OD1-CZ 3.71Å; D57-R308 IonicContact OD1-NE 3.65Å; D57-R308 PolarHBondContact OD1-NE 3.33Å; D57-R308 IonicContact OD1-NH2 3.54Å; D57-R308 PolarHBondContact OD1-NH2 3.46Å; D57-F311 HydrophobicContact CB-CD2 3.87Å; D57-F311 HydrophobicContact CB-CE2 3.58Å; D57-F311 HydrophobicContact CB-CZ 4.32Å
58L91.2Very high89.4Confident47 Ų4746.8 Ų46.825%0.24625%0.248CC..EExtended strand (participates in β ladder)trans-144.6144.2-170.6-17774.9000109.8L15 I305 Y307 F317L15-L58 HydrophobicContact CD1-CD2 3.91Å; L15-L58 HydrophobicContact CD2-CD2 3.6Å; L15-L58 HydrophobicContact CG-CD2 4.38Å; L58-I305 HydrophobicContact CD1-CG2 3.47Å; L58-I305 VanDerWaalsContact CD1-CG2 3.47Å; L58-I305 HydrophobicContact CG-CG2 4.02Å; L58-Y307 HydrophobicContact CD1-CD1 4.21Å; L58-Y307 HydrophobicContact CD1-CG 4.43Å; L58-F317 HydrophobicContact CD2-CZ 4.32Å
59L90.4Very high89.4Confident9 Ų946.8 Ų46.85%0.04725%0.248CC..EExtended strand (participates in β ladder)trans-83.9131.1172.6-59.3-177.8000110.7V47 L51 I61 I63 I305 G306V47-L59 HydrophobicContact CB-CD2 3.93Å; V47-L59 HydrophobicContact CG2-CD2 4.23Å; L51-L59 HydrophobicContact CD1-CD1 3.88Å; L51-L59 HydrophobicContact CD1-CD2 3.8Å; L51-L59 HydrophobicContact CD1-CG 3.78Å; L51-L59 HydrophobicContact CD2-CD2 4.31Å; L51-L59 HydrophobicContact CG-CD2 3.97Å; L51-L59 HydrophobicContact CG-CG 4.39Å; L59-I61 HydrophobicContact CB-CG1 4.17Å; L59-I61 PolarHBondContact O-N 2.97Å; L59-I61 VanDerWaalsContact O-N 3.14Å; L59-I63 HydrophobicContact CD1-CD1 4.44Å; L59-I63 HydrophobicContact CD1-CG2 4Å; L59-I305 WeakPolarHBondContact O-CG2 3.01Å; L59-G306 WeakPolarHBondContact CB-O 3.39Å; L59-G306 WeakPolarHBondContact CG-O 3.36Å; L59-G306 PolarHBondContact N-O 3.3Å
60G88Confident89.3Confident44 Ų4450.4 Ų50.445%0.45427%0.267SS..EExtended strand (participates in β ladder)trans-76.515.3170.600000114.3
61I87.2Confident89.2Confident82 Ų8252.7 Ų52.742%0.42129%0.286SS..EExtended strand (participates in β ladder)trans-136.1152.9-177.560.4169.9000109.9V36 L59V36-I61 HydrophobicContact CG1-CD1 4.16Å; L59-I61 HydrophobicContact CB-CG1 4.17Å; L59-I61 PolarHBondContact O-N 2.97Å; L59-I61 VanDerWaalsContact O-N 3.14Å
62A89.1Confident89.1Confident21 Ų2153.6 Ų53.617%0.17429%0.291CS..EExtended strand (participates in β ladder)trans-83.6132.6166.700000108.6V11 L79 F80 A304V11-A62 HydrophobicContact CG2-CB 3.76Å; A62-L79 HydrophobicContact CB-CD1 4.15Å; A62-F80 HydrophobicContact CB-CE1 4.01Å; A62-F80 HydrophobicContact CB-CZ 4.2Å; A62-A304 WeakPolarHBondContact CA-O 3.11Å
63I89.1Confident89.2Confident3 Ų350.3 Ų50.32%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-123.8149.8-176.9-176.8179.4000109.3V36 I48 L59 V65 R69 M73 Y75 Y303 A304V36-I63 HydrophobicContact CB-CD1 4.09Å; V36-I63 HydrophobicContact CG1-CB 4.49Å; V36-I63 HydrophobicContact CG1-CD1 3.21Å; V36-I63 HydrophobicContact CG1-CG1 3.78Å; I48-I63 HydrophobicContact CD1-CD1 4.04Å; I48-I63 HydrophobicContact CG1-CD1 4.13Å; L59-I63 HydrophobicContact CD1-CD1 4.44Å; L59-I63 HydrophobicContact CD1-CG2 4Å; I63-V65 PolarHBondContact O-N 3.26Å; I63-R69 VanDerWaalsContact CD1-NH1 3.29Å; I63-R69 VanDerWaalsContact CG1-NH1 3.33Å; I63-M73 HydrophobicContact CG2-CE 4.36Å; I63-Y75 HydrophobicContact CG2-CD1 4.42Å; I63-Y75 HydrophobicContact CG2-CE1 3.9Å; I63-Y303 WeakPolarHBondContact O-CA 3.29Å; I63-A304 WeakPolarHBondContact CG2-O 3.41Å; I63-A304 PolarHBondContact N-O 3.34Å; I63-A304 PolarHBondContact O-N 3.5Å
64D88.2Confident89.2Confident8 Ų847.2 Ų47.24%0.04327%0.267CS..EExtended strand (participates in β ladder)trans-59.7127.2173.159.2-55.8000111.5R66 R69 Y75 L301 W302 Y303D64-R66 PolarHBondContact O-N 3.08Å; D64-R66 WeakPolarHBondContact OD2-CD 3.36Å; D64-R69 PolarHBondContact O-NH1 3.42Å; D64-R69 IonicContact OD1-CZ 3.85Å; D64-R69 IonicContact OD1-NH1 3.17Å; D64-R69 PolarHBondContact OD1-NH1 3.16Å; D64-R69 IonicContact OD1-NH2 3.91Å; D64-R69 IonicContact OD2-CZ 3.43Å; D64-R69 IonicContact OD2-NH1 3.96Å; D64-R69 PolarHBondContact OD2-NH1 2.91Å; D64-R69 IonicContact OD2-NH2 3.02Å; D64-Y75 PolarHBondContact O-OH 3.32Å; D64-L301 HydrophobicContact CB-CB 4.43Å; D64-L301 HydrophobicContact CB-CD1 4.11Å; D64-W302 WeakPolarHBondContact CA-O 3.42Å; D64-Y303 HydrophobicContact CB-CE1 4.23Å
65V89.3Confident89.2Confident47 Ų4741.3 Ų41.329%0.28524%0.241SC..  trans-72120.8176.3178.60000108.6I63 Y75 W302 A304I63-V65 PolarHBondContact O-N 3.26Å; V65-Y75 HydrophobicContact CB-CE1 4.5Å; V65-Y75 HydrophobicContact CG1-CD2 4.01Å; V65-Y75 HydrophobicContact CG1-CE2 4.02Å; V65-Y75 HydrophobicContact CG1-CG 4.37Å; V65-Y75 HydrophobicContact CG2-CD1 3.95Å; V65-Y75 HydrophobicContact CG2-CE1 4.2Å; V65-Y75 HydrophobicContact CG2-CG 4.11Å; V65-W302 HydrophobicContact CG2-CB 4.35Å; V65-W302 WeakPolarHBondContact CG2-O 3.06Å; V65-W302 PolarHBondContact N-O 3.25Å; V65-A304 HydrophobicContact CG2-CB 3.57Å
66R85.9Confident89.2Confident14 Ų1436.9 Ų36.95%0.05322%0.222CC..  trans-133.8140.1179.4-75.7170.537.8154-10.8112.6D64 D68 R69 Y75 S230 L231D64-R66 PolarHBondContact O-N 3.08Å; D64-R66 WeakPolarHBondContact OD2-CD 3.36Å; R66-D68 VanDerWaalsContact C-N 3.3Å; R66-D68 WeakPolarHBondContact CB-OD1 3.44Å; R66-D68 IonicContact CZ-OD1 3.55Å; R66-D68 IonicContact CZ-OD2 3.33Å; R66-D68 IonicContact NE-OD1 3.49Å; R66-D68 PolarHBondContact NE-OD1 3.36Å; R66-D68 IonicContact NE-OD2 2.97Å; R66-D68 VanDerWaalsContact NH2-CG 3.28Å; R66-D68 IonicContact NH2-OD1 3.75Å; R66-D68 PolarHBondContact NH2-OD1 2.97Å; R66-D68 IonicContact NH2-OD2 2.69Å; R66-D68 PolarHBondContact NH2-OD2 3.39Å; R66-D68 PolarHBondContact O-N 3Å; R66-R69 HydrophobicContact CB-CG 4.28Å; R66-R69 PolarHBondContact O-N 3.23Å; R66-Y75 PolarHBondContact N-OH 3.46Å; R66-Y75 VanDerWaalsContact N-OH 3.17Å; R66-S230 PolarHBondContact NH1-OG 3.29Å; R66-L231 HydrophobicContact CG-CD2 4.24Å
67P85.5Confident89.1Confident111 Ų11136.9 Ų36.972%0.72122%0.222SC*.G310 helixtrans-60.5-36.7179.7-24.333.6000114R69 L70P67-R69 VanDerWaalsContact C-N 3.28Å; P67-R69 PolarHBondContact O-N 3.05Å; P67-L70 WeakPolarHBondContact O-CB 3.18Å; P67-L70 PolarHBondContact O-N 3.47Å
68D85.1Confident89.1Confident46 Ų4635.4 Ų35.425%0.24622%0.216CC..G310 helixtrans-71.6-25-175.469.3-36.8000113.2W44 R66 S71W44-D68 WeakPolarHBondContact CH2-OD2 3.46Å; R66-D68 VanDerWaalsContact C-N 3.3Å; R66-D68 WeakPolarHBondContact CB-OD1 3.44Å; R66-D68 IonicContact CZ-OD1 3.55Å; R66-D68 IonicContact CZ-OD2 3.33Å; R66-D68 IonicContact NE-OD1 3.49Å; R66-D68 PolarHBondContact NE-OD1 3.36Å; R66-D68 IonicContact NE-OD2 2.97Å; R66-D68 VanDerWaalsContact NH2-CG 3.28Å; R66-D68 IonicContact NH2-OD1 3.75Å; R66-D68 PolarHBondContact NH2-OD1 2.97Å; R66-D68 IonicContact NH2-OD2 2.69Å; R66-D68 PolarHBondContact NH2-OD2 3.39Å; R66-D68 PolarHBondContact O-N 3Å; D68-S71 PolarHBondContact O-OG 2.92Å
69R87.8Confident89.1Confident0 Ų033.6 Ų33.60%021%0.206CC..G310 helixtrans-79.1-20.9175.1-66.7176.3-178.9164.9-6.4113.2W44 I48 I63 D64 R66 P67 S71 V72 M73 Y75W44-R69 HydrophobicContact CH2-CG 3.61Å; W44-R69 HydrophobicContact CZ2-CG 3.89Å; W44-R69 HydrophobicContact CZ3-CG 4.12Å; I48-R69 HydrophobicContact CD1-CG 4.25Å; I63-R69 VanDerWaalsContact CD1-NH1 3.29Å; I63-R69 VanDerWaalsContact CG1-NH1 3.33Å; D64-R69 PolarHBondContact O-NH1 3.42Å; D64-R69 IonicContact OD1-CZ 3.85Å; D64-R69 IonicContact OD1-NH1 3.17Å; D64-R69 PolarHBondContact OD1-NH1 3.16Å; D64-R69 IonicContact OD1-NH2 3.91Å; D64-R69 IonicContact OD2-CZ 3.43Å; D64-R69 IonicContact OD2-NH1 3.96Å; D64-R69 PolarHBondContact OD2-NH1 2.91Å; D64-R69 IonicContact OD2-NH2 3.02Å; R66-R69 HydrophobicContact CB-CG 4.28Å; R66-R69 PolarHBondContact O-N 3.23Å; P67-R69 VanDerWaalsContact C-N 3.28Å; P67-R69 PolarHBondContact O-N 3.05Å; R69-S71 PolarHBondContact O-N 2.99Å; R69-V72 WeakPolarHBondContact O-CG2 3.5Å; R69-V72 PolarHBondContact O-N 3.22Å; R69-M73 HydrophobicContact CB-CG 4.1Å; R69-M73 HydrophobicContact CB-SD 4.19Å; R69-M73 VanDerWaalsContact O-CG 3.28Å; R69-M73 WeakPolarHBondContact O-CG 3.37Å; R69-M73 PolarHBondContact O-N 3.08Å; R69-M73 VanDerWaalsContact O-N 3.11Å; R69-Y75 WeakPolarHBondContact CB-OH 3.24Å; R69-Y75 WeakPolarHBondContact CD-OH 3.48Å
70L88.6Confident89.1Confident75 Ų7535.3 Ų35.339%0.39321%0.214SC..G310 helixtrans-58.7-20177.6-67.5173.5000112.8P67 V72 M73 Y75 R309P67-L70 WeakPolarHBondContact O-CB 3.18Å; P67-L70 PolarHBondContact O-N 3.47Å; L70-V72 VanDerWaalsContact C-N 3.28Å; L70-V72 PolarHBondContact O-N 3.42Å; L70-M73 WeakPolarHBondContact CA-O 3.35Å; L70-Y75 HydrophobicContact CD2-CD2 3.57Å; L70-Y75 HydrophobicContact CD2-CE2 3.63Å; L70-Y75 HydrophobicContact CG-CE2 4.29Å; L70-R309 PolarHBondContact O-NE 3.49Å; L70-R309 PolarHBondContact O-NH1 2.81Å; L70-R309 PolarHBondContact O-NH2 3.4Å
71S88Confident89.2Confident70 Ų7038.5 Ų38.549%0.4922%0.217SC..G310 helixtrans-64.8-29.7175.759.10000113.5D68 R69 R309D68-S71 PolarHBondContact O-OG 2.92Å; R69-S71 PolarHBondContact O-N 2.99Å; S71-R309 PolarHBondContact O-NH1 3.49Å
72V89.6Confident89.3Confident21 Ų2134.9 Ų34.913%0.12720%0.199CC..THydrogen-bonded Turntrans-120.3-18.7-171.3-63.40000114.5W44 I48 Q52 R69 L70W44-V72 HydrophobicContact CG-CG2 4.21Å; I48-V72 HydrophobicContact CG2-CG2 3.76Å; Q52-V72 HydrophobicContact CB-CB 4.19Å; Q52-V72 HydrophobicContact CB-CG1 4.4Å; Q52-V72 HydrophobicContact CG-CB 4.17Å; Q52-V72 HydrophobicContact CG-CG1 3.89Å; R69-V72 WeakPolarHBondContact O-CG2 3.5Å; R69-V72 PolarHBondContact O-N 3.22Å; L70-V72 VanDerWaalsContact C-N 3.28Å; L70-V72 PolarHBondContact O-N 3.42Å
73M91.8Very high89.4Confident0 Ų034.9 Ų34.90%020%0.196CC..EExtended strand (participates in β ladder)trans-143.8159.9-178.660.5170.8-69.900111.2I48 L51 I63 R69 L70 Y75 Y307I48-M73 HydrophobicContact CG1-SD 4.28Å; I48-M73 HydrophobicContact CG2-SD 4.42Å; L51-M73 HydrophobicContact CD1-CB 4Å; L51-M73 HydrophobicContact CD1-CE 4.2Å; L51-M73 HydrophobicContact CD1-SD 4Å; I63-M73 HydrophobicContact CG2-CE 4.36Å; R69-M73 HydrophobicContact CB-CG 4.1Å; R69-M73 HydrophobicContact CB-SD 4.19Å; R69-M73 VanDerWaalsContact O-CG 3.28Å; R69-M73 WeakPolarHBondContact O-CG 3.37Å; R69-M73 PolarHBondContact O-N 3.08Å; R69-M73 VanDerWaalsContact O-N 3.11Å; L70-M73 WeakPolarHBondContact CA-O 3.35Å; M73-Y75 HydrophobicContact CE-CD1 3.74Å; M73-Y75 HydrophobicContact CE-CE1 3.35Å; M73-Y75 HydrophobicContact CE-CE2 4.39Å; M73-Y75 HydrophobicContact CE-CG 4.43Å; M73-Y75 HydrophobicContact SD-CE1 4.32Å; M73-Y307 WeakPolarHBondContact CB-O 3.32Å
74D92.2Very high89.5Confident47 Ų4734.9 Ų34.925%0.25120%0.196SC..EExtended strand (participates in β ladder)trans-115165.6172.6-62.3-33000109.5Y307 R309D74-Y307 HydrophobicContact CB-CD2 3.97Å; D74-Y307 HydrophobicContact CB-CE2 3.41Å; D74-Y307 VanDerWaalsContact CB-CE2 3.41Å; D74-Y307 PolarHBondContact N-O 3.47Å; D74-Y307 PolarHBondContact O-N 2.88Å; D74-R309 WeakPolarHBondContact OD1-CG 3.35Å; D74-R309 IonicContact OD1-NE 3.4Å; D74-R309 PolarHBondContact OD1-NE 3.24Å; D74-R309 WeakPolarHBondContact OD2-CG 3.35Å
75Y91.3Very high89.7Confident24 Ų2434.5 Ų34.59%0.09419%0.194CC..EExtended strand (participates in β ladder)trans-120.6151.6-174.9-65.3-80.9000111.8I63 D64 V65 R66 R69 L70 M73 A304 Y307I63-Y75 HydrophobicContact CG2-CD1 4.42Å; I63-Y75 HydrophobicContact CG2-CE1 3.9Å; D64-Y75 PolarHBondContact O-OH 3.32Å; V65-Y75 HydrophobicContact CB-CE1 4.5Å; V65-Y75 HydrophobicContact CG1-CD2 4.01Å; V65-Y75 HydrophobicContact CG1-CE2 4.02Å; V65-Y75 HydrophobicContact CG1-CG 4.37Å; V65-Y75 HydrophobicContact CG2-CD1 3.95Å; V65-Y75 HydrophobicContact CG2-CE1 4.2Å; V65-Y75 HydrophobicContact CG2-CG 4.11Å; R66-Y75 PolarHBondContact N-OH 3.46Å; R66-Y75 VanDerWaalsContact N-OH 3.17Å; R69-Y75 WeakPolarHBondContact CB-OH 3.24Å; R69-Y75 WeakPolarHBondContact CD-OH 3.48Å; L70-Y75 HydrophobicContact CD2-CD2 3.57Å; L70-Y75 HydrophobicContact CD2-CE2 3.63Å; L70-Y75 HydrophobicContact CG-CE2 4.29Å; M73-Y75 HydrophobicContact CE-CD1 3.74Å; M73-Y75 HydrophobicContact CE-CE1 3.35Å; M73-Y75 HydrophobicContact CE-CE2 4.39Å; M73-Y75 HydrophobicContact CE-CG 4.43Å; M73-Y75 HydrophobicContact SD-CE1 4.32Å; Y75-A304 HydrophobicContact CD1-CB 4.06Å; Y75-A304 HydrophobicContact CG-CB 4.46Å; Y75-Y307 WeakPolarHBondContact O-CE1 3.48Å; Y75-Y307 PolarHBondContact O-OH 3.49Å
76S91.4Very high89.9Confident7 Ų732.3 Ų32.35%0.04918%0.18CC..PPolyproline II helixtrans-71.1173.9165.371.50000110.6I305 F317S76-I305 PolarHBondContact N-O 3.2Å; S76-I305 PolarHBondContact OG-N 3.19Å; S76-F317 WeakPolarHBondContact CA-O 3.38Å; S76-F317 WeakPolarHBondContact CB-O 3.33Å
77T90.1Very high90.2Very high21 Ų2131.6 Ų31.613%0.12918%0.178CC..SBendtrans-51133.2160-58.60000109.4L79 F317 N323 I329T77-L79 PolarHBondContact O-N 3.44Å; T77-F317 PolarHBondContact N-O 2.88Å; T77-F317 VanDerWaalsContact N-O 3.11Å; T77-N323 PolarHBondContact OG1-ND2 3.3Å; T77-I329 HydrophobicContact CG2-CD1 3.93Å
78P90.4Very high90.6Very high46 Ų4626.8 Ų26.830%0.29915%0.146SC..PPolyproline II helixtrans-55.7132.5177.8-28.236.2000112.4W302 I329P78-W302 HydrophobicContact CB-CB 4.05Å; P78-W302 HydrophobicContact CB-CD2 4.07Å; P78-W302 HydrophobicContact CB-CE3 3.57Å; P78-W302 HydrophobicContact CB-CG 4.29Å; P78-W302 HydrophobicContact CB-CZ3 4.36Å; P78-W302 HydrophobicContact CG-CB 4.32Å; P78-I329 WeakPolarHBondContact O-CD1 3.4Å
79L91.6Very high90.8Very high9 Ų929.2 Ų29.25%0.04715%0.152CC..  trans-82.6-48.9-179.6-68.5172.8000111.5V11 I14 A62 T77 Y303 I305 I325 I329 V334V11-L79 HydrophobicContact CG2-CD1 4.12Å; I14-L79 HydrophobicContact CD1-CD2 4.12Å; A62-L79 HydrophobicContact CB-CD1 4.15Å; T77-L79 PolarHBondContact O-N 3.44Å; L79-Y303 PolarHBondContact N-O 2.94Å; L79-I305 HydrophobicContact CD1-CD1 4.16Å; L79-I305 HydrophobicContact CD1-CG1 3.82Å; L79-I325 HydrophobicContact CD2-CG2 3.54Å; L79-I329 HydrophobicContact CD2-CD1 4.43Å; L79-I329 HydrophobicContact CD2-CG1 4.4Å; L79-V334 HydrophobicContact CD2-CG2 4.14Å; L79-V334 WeakPolarHBondContact O-CG1 3.3Å
80F91.2Very high90.7Very high46 Ų4630.9 Ų30.920%0.20216%0.163CC..EExtended strand (participates in β ladder)trans-154.1159-176.959.5-91.2000111.1M10 A62 Y303 V334 I338M10-F80 HydrophobicContact SD-CD1 4.4Å; M10-F80 HydrophobicContact SD-CE1 4.48Å; A62-F80 HydrophobicContact CB-CE1 4.01Å; A62-F80 HydrophobicContact CB-CZ 4.2Å; F80-Y303 HydrophobicContact CD2-CD2 4.33Å; F80-Y303 HydrophobicContact CD2-CG 4.39Å; F80-Y303 HydrophobicContact CE2-CD1 4.37Å; F80-Y303 AromaticContact CE2-CD2 3.86Å; F80-Y303 HydrophobicContact CE2-CD2 3.86Å; F80-Y303 AromaticContact CE2-CG 3.69Å; F80-Y303 HydrophobicContact CE2-CG 3.69Å; F80-Y303 HydrophobicContact CZ-CD1 4.34Å; F80-Y303 AromaticContact CZ-CG 3.94Å; F80-Y303 HydrophobicContact CZ-CG 3.94Å; F80-Y303 PolarHBondContact O-N 3.34Å; F80-V334 HydrophobicContact CB-CG1 4.37Å; F80-V334 HydrophobicContact CD1-CG1 4.47Å; F80-I338 HydrophobicContact CB-CD1 3.8Å; F80-I338 HydrophobicContact CD1-CD1 4.36Å; F80-I338 HydrophobicContact CG-CD1 4.02Å
81E90.7Very high90.1Very high110 Ų11028.9 Ų28.951%0.51415%0.154SC..EExtended strand (participates in β ladder)trans-96.4140171.6-170.8-178176.700109.9P300 W302E81-P300 WeakPolarHBondContact OE1-CB 3.33Å; E81-W302 HydrophobicContact CB-CD2 4.26Å; E81-W302 HydrophobicContact CB-CE3 3.98Å; E81-W302 HydrophobicContact CB-CH2 4.05Å; E81-W302 HydrophobicContact CB-CZ2 4.29Å; E81-W302 HydrophobicContact CB-CZ3 3.89Å
82S89.5Confident89.1Confident6 Ų633.2 Ų33.24%0.04217%0.167CC..EExtended strand (participates in β ladder)trans-148.6148.7174.2162.70000110.2E279 L301 Y303S82-E279 WeakPolarHBondContact CB-OE1 3.23Å; S82-E279 PolarHBondContact OG-OE1 3.21Å; S82-E279 PolarHBondContact OG-OE2 2.99Å; S82-L301 PolarHBondContact N-O 3.07Å; S82-L301 PolarHBondContact O-N 3.08Å; S82-Y303 VanDerWaalsContact CB-CE2 3.49Å
83D90.2Very high87.6Confident21 Ų2135.4 Ų35.411%0.11218%0.18CC..EExtended strand (participates in β ladder)trans-115.9173.3-175.664.1-26.3000111.5R278 T297D83-R278 WeakPolarHBondContact O-CB 3.46Å; D83-R278 PolarHBondContact O-N 2.86Å; D83-R278 VanDerWaalsContact OD1-CB 3.24Å; D83-R278 WeakPolarHBondContact OD1-CB 3.26Å; D83-R278 WeakPolarHBondContact OD1-CD 3.11Å; D83-R278 IonicContact OD2-CZ 2.76Å; D83-R278 IonicContact OD2-NH1 2.9Å; D83-R278 PolarHBondContact OD2-NH1 3.45Å; D83-T297 WeakPolarHBondContact OD2-CB 3.41Å; D83-T297 VanDerWaalsContact OD2-CG2 3.23Å; D83-T297 WeakPolarHBondContact OD2-CG2 3.43Å
84H90.9Very high85.5Confident4 Ų440.2 Ų40.22%0.01920%0.201CC..EExtended strand (participates in β ladder)trans-89.6124.9166.5-69.667.6000109.4T228 I275 A276 L298H84-T228 WeakPolarHBondContact CD2-CG2 3.41Å; H84-T228 PolarHBondContact CD2-OG1 2.02Å; H84-T228 PolarHBondContact NE2-OG1 3.09Å; H84-I275 HydrophobicContact CB-CG2 4.31Å; H84-A276 CarbonylContact C-O 3.57Å; H84-A276 WeakPolarHBondContact CA-O 3.04Å; H84-A276 WeakPolarHBondContact CB-O 3.44Å; H84-L298 WeakPolarHBondContact CA-O 3.25Å; H84-L298 HydrophobicContact CB-CB 4.11Å; H84-L298 WeakPolarHBondContact CB-O 3.19Å; H84-L298 PolarHBondContact N-O 3.35Å; H84-L298 PolarHBondContact O-N 2.92Å; H84-L298 VanDerWaalsContact O-N 3.08Å
85G91.6Very high83.5Confident0 Ų042.1 Ų42.10%021%0.207CC..EExtended strand (participates in β ladder)trans-86.5159.9171.600000111.4A276 L281G85-A276 PolarHBondContact N-O 2.83Å; G85-A276 PolarHBondContact O-N 3.33Å; G85-L281 VanDerWaalsContact O-CD1 3.26Å; G85-L281 WeakPolarHBondContact O-CD1 3.41Å
86V93.9Very high81.7Confident0 Ų043.8 Ų43.80%022%0.218CC..EExtended strand (participates in β ladder)trans-117.8108.9174.5-178.80000108.7I88 F202 I273 I275 L293 A294 I296 L298V86-I88 HydrophobicContact CG1-CG2 4.25Å; V86-F202 HydrophobicContact CG1-CE2 4.3Å; V86-F202 HydrophobicContact CG1-CZ 3.87Å; V86-I273 HydrophobicContact CG1-CG2 3.14Å; V86-I275 HydrophobicContact CG2-CG1 4.11Å; V86-L293 WeakPolarHBondContact O-CA 3.46Å; V86-A294 HydrophobicContact CB-CB 4.21Å; V86-A294 HydrophobicContact CG1-CB 4.36Å; V86-A294 PolarHBondContact O-N 3.27Å; V86-I296 HydrophobicContact CB-CD1 3.95Å; V86-I296 HydrophobicContact CB-CG1 4.01Å; V86-I296 HydrophobicContact CG1-CD1 4.37Å; V86-I296 HydrophobicContact CG2-CD1 3.49Å; V86-I296 VanDerWaalsContact CG2-CD1 3.49Å; V86-I296 HydrophobicContact CG2-CG1 3.84Å; V86-L298 HydrophobicContact CG2-CD1 3.3Å; V86-L298 HydrophobicContact CG2-CG 3.95Å
87L93.2Very high79.8Confident0 Ų046.2 Ų46.20%023%0.23CC..EExtended strand (participates in β ladder)trans-90.7124.1177.9-168.483.2000109.4K263 F274 L281 V291 L293L87-K263 HydrophobicContact CD2-CB 4.42Å; L87-K263 HydrophobicContact CD2-CG 4.25Å; L87-F274 HydrophobicContact CB-CB 4.22Å; L87-F274 HydrophobicContact CD2-CD1 4.14Å; L87-F274 PolarHBondContact N-O 3.48Å; L87-F274 PolarHBondContact O-N 2.82Å; L87-L281 HydrophobicContact CB-CD1 4.14Å; L87-L281 HydrophobicContact CB-CD2 4Å; L87-L281 HydrophobicContact CD2-CD2 4.2Å; L87-V291 HydrophobicContact CD1-CB 4Å; L87-V291 HydrophobicContact CD1-CG2 4.11Å; L87-V291 HydrophobicContact CD2-CB 4.08Å; L87-V291 HydrophobicContact CD2-CG1 4.26Å; L87-V291 HydrophobicContact CD2-CG2 4.18Å; L87-V291 HydrophobicContact CG-CB 4Å; L87-V291 HydrophobicContact CG-CG2 4.42Å; L87-L293 HydrophobicContact CD1-CD2 4.38Å; L87-L293 HydrophobicContact CD1-CG 4.48Å
88I93.1Very high78.3Confident9 Ų948.8 Ų48.85%0.04625%0.246CC..EExtended strand (participates in β ladder)trans-121.1166.2175.761167.1000109.5V86 S90 Y200 P201 F202 I273 V291 T292 A294V86-I88 HydrophobicContact CG1-CG2 4.25Å; I88-S90 PolarHBondContact O-N 2.93Å; I88-Y200 HydrophobicContact CD1-CD1 3.78Å; I88-Y200 HydrophobicContact CD1-CE1 4.34Å; I88-P201 HydrophobicContact CD1-CG 3.94Å; I88-F202 HydrophobicContact CG2-CE1 4Å; I88-F202 HydrophobicContact CG2-CZ 3.83Å; I88-I273 HydrophobicContact CG2-CG1 4.35Å; I88-I273 HydrophobicContact CG2-CG2 4.24Å; I88-V291 CarbonylContact O-C 3.43Å; I88-V291 VanDerWaalsContact O-CA 3.26Å; I88-V291 WeakPolarHBondContact O-CA 2.84Å; I88-V291 WeakPolarHBondContact O-CB 3.35Å; I88-T292 HydrophobicContact CD1-CG2 4.18Å; I88-T292 HydrophobicContact CG1-CG2 3.8Å; I88-T292 PolarHBondContact N-O 3.41Å; I88-T292 PolarHBondContact O-N 3.1Å; I88-A294 HydrophobicContact CD1-CB 4.43Å
89R90.5Very high76.8Confident98 Ų9850.2 Ų50.237%0.3725%0.248SC..EExtended strand (participates in β ladder)trans-63.6136166.2-175.7174.1170.1147.9-11.2107.8P91 V266 I267 H290R89-P91 WeakPolarHBondContact O-CD 3.38Å; R89-P91 VanDerWaalsContact O-N 3.11Å; R89-V266 HydrophobicContact CB-CG1 4.28Å; R89-I267 PolarHBondContact NH1-O 3.43Å; R89-H290 WeakPolarHBondContact CA-O 3.24Å; R89-H290 WeakPolarHBondContact CG-O 3.41Å
90S85.6Confident75.4Confident35 Ų3552.6 Ų52.625%0.24526%0.263CS..PPolyproline II helixtrans-54.4120.8176.2-66.60000108.6I88 E92 C289 H290 V291 T292I88-S90 PolarHBondContact O-N 2.93Å; S90-E92 PolarHBondContact O-N 3.46Å; S90-C289 WeakPolarHBondContact CB-O 3.38Å; S90-C289 PolarHBondContact OG-O 2.85Å; S90-H290 PolarHBondContact N-O 2.77Å; S90-V291 WeakPolarHBondContact OG-CA 3.29Å; S90-V291 PolarHBondContact OG-N 2.99Å; S90-V291 PolarHBondContact OG-O 3.09Å; S90-T292 PolarHBondContact OG-N 2.81Å
91P76Confident74.2Confident32 Ų3252.1 Ų52.121%0.20826%0.262CS..PPolyproline II helixtrans-60.5139.1174.326.6-32.8000107.5R89 V93 V198 R199R89-P91 WeakPolarHBondContact O-CD 3.38Å; R89-P91 VanDerWaalsContact O-N 3.11Å; P91-V93 PolarHBondContact O-N 2.74Å; P91-V198 HydrophobicContact CB-CG1 4.49Å; P91-V198 HydrophobicContact CG-CG1 3.41Å; P91-V198 VanDerWaalsContact CG-CG1 3.41Å; P91-R199 VanDerWaalsContact CB-O 3.29Å; P91-R199 WeakPolarHBondContact CB-O 3.44Å
92E65.9Low73.2Confident162 Ų16249.2 Ų49.276%0.75725%0.25SC*.PPolyproline II helixtrans-59.6136.1170.6-67.4176.8-176.200107.3S90 F94S90-E92 PolarHBondContact O-N 3.46Å; E92-F94 PolarHBondContact O-N 3.18Å
93V58.2Low72.4Confident66 Ų6652.5 Ų52.540%0.427%0.27SS..PPolyproline II helixtrans-53.8116.3174.5-177.40000105.6P91 K95 D196P91-V93 PolarHBondContact O-N 2.74Å; V93-K95 HydrophobicContact CG1-CG 4.32Å; V93-K95 PolarHBondContact O-N 2.99Å; V93-D196 HydrophobicContact CG1-CB 4.11Å
94F49.1Very low71.6Confident101 Ų10154.7 Ų54.744%0.44329%0.291SS..  trans-70.888.2-179.3-170.8-89.8000106.7E92 D96E92-F94 PolarHBondContact O-N 3.18Å; F94-D96 HydrophobicContact CD1-CB 4.23Å; F94-D96 HydrophobicContact CE1-CB 3.87Å; F94-D96 PolarHBondContact O-N 3.13Å
95K49.8Very low71Confident87 Ų8755.9 Ų55.938%0.37830%0.298SS..  trans-81.1105.1169.2-62.9-166.4168-142.80106.6V93 N97 E370V93-K95 HydrophobicContact CG1-CG 4.32Å; V93-K95 PolarHBondContact O-N 2.99Å; K95-N97 WeakPolarHBondContact CB-OD1 3.26Å; K95-N97 PolarHBondContact O-N 3.28Å; K95-E370 IonicContact NZ-OE1 3.67Å; K95-E370 PolarHBondContact NZ-OE1 3.3Å
96D53Low70.6Confident59 Ų5957.7 Ų57.732%0.31631%0.306SS..  trans-70.577.4173.1-147.2-13.9000107.7F94 T98 I101F94-D96 HydrophobicContact CD1-CB 4.23Å; F94-D96 HydrophobicContact CE1-CB 3.87Å; F94-D96 PolarHBondContact O-N 3.13Å; D96-T98 PolarHBondContact O-N 3.28Å; D96-I101 WeakPolarHBondContact O-CD1 3.41Å; D96-I101 WeakPolarHBondContact O-CG1 3.31Å
97N51.2Low70.3Confident58 Ų5860.4 Ų60.431%0.3133%0.325SS..  trans-73.833.9-164.9-77.8-21.3000113.8K95 Q372K95-N97 WeakPolarHBondContact CB-OD1 3.26Å; K95-N97 PolarHBondContact O-N 3.28Å; N97-Q372 PolarHBondContact O-NE2 3.32Å; N97-Q372 VanDerWaalsContact O-NE2 3.11Å
98T58.6Low70Confident76 Ų7665.3 Ų65.347%0.46636%0.357SS..SBendtrans-147167.8-169-54.90000112D96 V100 I101D96-T98 PolarHBondContact O-N 3.28Å; T98-V100 PolarHBondContact O-N 3.26Å; T98-I101 PolarHBondContact O-N 2.9Å
99F58.8Low70.1Confident76 Ų7669.4 Ų69.433%0.33338%0.382SS..THydrogen-bonded Turntrans-30-28.1171.6-82.8-91.1000116.1I101 L102 T103 G373 W376 L377F99-I101 VanDerWaalsContact C-N 3.26Å; F99-I101 PolarHBondContact O-N 2.98Å; F99-L102 PolarHBondContact O-N 3.02Å; F99-L102 VanDerWaalsContact O-N 3.13Å; F99-T103 PolarHBondContact O-N 3.16Å; F99-T103 PolarHBondContact O-OG1 3.41Å; F99-G373 WeakPolarHBondContact CE1-O 3.43Å; F99-G373 WeakPolarHBondContact CZ-O 3.46Å; F99-W376 HydrophobicContact CE1-CB 4.44Å; F99-W376 HydrophobicContact CE2-CB 3.53Å; F99-W376 HydrophobicContact CE2-CG 4.21Å; F99-W376 HydrophobicContact CZ-CB 3.31Å; F99-W376 HydrophobicContact CZ-CG 4.42Å; F99-L377 HydrophobicContact CE1-CB 3.86Å; F99-L377 HydrophobicContact CE1-CD1 4.14Å; F99-L377 HydrophobicContact CZ-CB 4.49Å
100V63.2Low70.2Confident59 Ų5966.5 Ų66.536%0.35838%0.379SS..Hα-helixtrans-50.4-40.7174.9-176.90000112.3T98 L102 T103 A104T98-V100 PolarHBondContact O-N 3.26Å; V100-L102 PolarHBondContact O-N 2.86Å; V100-T103 WeakPolarHBondContact CA-OG1 3.42Å; V100-T103 PolarHBondContact O-N 3.02Å; V100-T103 VanDerWaalsContact O-N 3.11Å; V100-T103 PolarHBondContact O-OG1 3.47Å; V100-A104 HydrophobicContact CG1-CB 3.98Å; V100-A104 WeakPolarHBondContact O-CA 3.26Å; V100-A104 WeakPolarHBondContact O-CB 3.39Å; V100-A104 PolarHBondContact O-N 2.9Å
101I66.2Low70.5Confident36 Ų3669.4 Ų69.419%0.18539%0.385CS..Hα-helixtrans-55.2-41.5179.4-74.8172.7000111.7D96 T98 F99 M189 L193D96-I101 WeakPolarHBondContact O-CD1 3.41Å; D96-I101 WeakPolarHBondContact O-CG1 3.31Å; T98-I101 PolarHBondContact O-N 2.9Å; F99-I101 VanDerWaalsContact C-N 3.26Å; F99-I101 PolarHBondContact O-N 2.98Å; I101-M189 HydrophobicContact CG2-CE 3.99Å; I101-L193 HydrophobicContact CG2-CD2 4.05Å
102L68.3Low71.3Confident49 Ų4973.8 Ų73.826%0.25741%0.406SS..Hα-helixtrans-74.3-36.3-179-65.9160.2000112.2F99 V100 M189 I374F99-L102 PolarHBondContact O-N 3.02Å; F99-L102 VanDerWaalsContact O-N 3.13Å; V100-L102 PolarHBondContact O-N 2.86Å; L102-M189 HydrophobicContact CD2-CE 4.28Å; L102-I374 HydrophobicContact CD1-CG1 3.59Å; L102-I374 HydrophobicContact CD2-CD1 4.27Å; L102-I374 HydrophobicContact CD2-CG1 4.13Å; L102-I374 HydrophobicContact CG-CG1 4.43Å
103T73.6Confident72.7Confident75 Ų7572.5 Ų72.546%0.4640%0.402SS..Hα-helixtrans-87.2-25.1-177.656.60000113.4F99 V100 V105 F106 W111F99-T103 PolarHBondContact O-N 3.16Å; F99-T103 PolarHBondContact O-OG1 3.41Å; V100-T103 WeakPolarHBondContact CA-OG1 3.42Å; V100-T103 PolarHBondContact O-N 3.02Å; V100-T103 VanDerWaalsContact O-N 3.11Å; V100-T103 PolarHBondContact O-OG1 3.47Å; T103-V105 PolarHBondContact O-N 3.14Å; T103-F106 PolarHBondContact O-N 2.95Å; T103-W111 PolarHBondContact O-NE1 3.09Å
104A72.8Confident74.4Confident67 Ų6770.7 Ų70.755%0.55439%0.389SS*.THydrogen-bonded Turntrans-73-12.7-173.200000113.4V100 F106V100-A104 HydrophobicContact CG1-CB 3.98Å; V100-A104 WeakPolarHBondContact O-CA 3.26Å; V100-A104 WeakPolarHBondContact O-CB 3.39Å; V100-A104 PolarHBondContact O-N 2.9Å; A104-F106 VanDerWaalsContact C-N 3.25Å; A104-F106 PolarHBondContact O-N 3.43Å
105V78.9Confident76.6Confident28 Ų2868.4 Ų68.417%0.1739%0.389CS..THydrogen-bonded Turntrans-57.3-43175-1730000111.1T103 F185 H188 M189T103-V105 PolarHBondContact O-N 3.14Å; V105-F185 HydrophobicContact CB-CD2 3.98Å; V105-F185 HydrophobicContact CB-CE2 3.85Å; V105-F185 HydrophobicContact CG1-CD2 3.65Å; V105-F185 HydrophobicContact CG1-CE2 4.02Å; V105-F185 HydrophobicContact CG1-CG 4.44Å; V105-F185 HydrophobicContact CG2-CD2 4.18Å; V105-F185 HydrophobicContact CG2-CE2 3.69Å; V105-F185 HydrophobicContact CG2-CZ 4.28Å; V105-H188 HydrophobicContact CG1-CB 3.68Å; V105-M189 HydrophobicContact CG2-CG 3.59Å; V105-M189 HydrophobicContact CG2-SD 3.14Å; V105-M189 WeakPolarHBondContact CG2-SD 3.32Å
106F82.4Confident78.8Confident38 Ų3866.6 Ų66.617%0.16739%0.391CS..SBendtrans-116.3142.1178.1-67.4-48.1000110T103 A104 A110 W111 L181 F185T103-F106 PolarHBondContact O-N 2.95Å; A104-F106 VanDerWaalsContact C-N 3.25Å; A104-F106 PolarHBondContact O-N 3.43Å; F106-A110 HydrophobicContact CB-CB 4.05Å; F106-W111 HydrophobicContact CB-CD2 4.42Å; F106-W111 HydrophobicContact CB-CG 4.42Å; F106-W111 HydrophobicContact CB-CZ2 4.44Å; F106-W111 HydrophobicContact CD2-CH2 4.21Å; F106-W111 AromaticContact CD2-CZ2 3.93Å; F106-W111 HydrophobicContact CD2-CZ2 3.93Å; F106-W111 PolarHBondContact O-NE1 3.35Å; F106-L181 HydrophobicContact CE2-CD1 4.32Å; F106-L181 HydrophobicContact CZ-CD1 4.01Å; F106-F185 HydrophobicContact CD2-CD2 4.15Å; F106-F185 HydrophobicContact CE2-CB 4.12Å; F106-F185 AromaticContact CE2-CD2 3.7Å; F106-F185 HydrophobicContact CE2-CD2 3.7Å; F106-F185 HydrophobicContact CE2-CG 4.38Å; F106-F185 HydrophobicContact CZ-CB 4.15Å; F106-F185 HydrophobicContact CZ-CD2 4.36Å
107S87.9Confident80.7Confident58 Ų5869.2 Ų69.241%0.40640%0.397SS..  trans-59.6152.6172.263.50000110.2T109 A110 W111S107-T109 PolarHBondContact O-N 3.25Å; S107-T109 VanDerWaalsContact O-N 3.09Å; S107-T109 PolarHBondContact OG-OG1 3.46Å; S107-A110 WeakPolarHBondContact O-CB 3.35Å; S107-A110 PolarHBondContact O-N 2.79Å; S107-A110 WeakPolarHBondContact OG-CB 3.48Å; S107-A110 PolarHBondContact OG-N 3.36Å; S107-W111 PolarHBondContact O-N 3.08Å; S107-W111 VanDerWaalsContact O-N 3.14Å
108P88Confident82.8Confident103 Ų10367.2 Ų67.267%0.66939%0.387SS*.Hα-helixtrans-53.6-33.2174.3-26.934.7000112.7W111 L112P108-W111 PolarHBondContact O-N 2.92Å; P108-L112 WeakPolarHBondContact O-CG 3.37Å; P108-L112 PolarHBondContact O-N 2.98Å; P108-L112 VanDerWaalsContact O-N 3.12Å
109T93.9Very high84.6Confident95 Ų9567.1 Ų67.158%0.58339%0.386SS*.Hα-helixtrans-64.8-41.4174.951.60000112.7S107 L112 M113S107-T109 PolarHBondContact O-N 3.25Å; S107-T109 VanDerWaalsContact O-N 3.09Å; S107-T109 PolarHBondContact OG-OG1 3.46Å; T109-L112 PolarHBondContact O-N 3.37Å; T109-M113 VanDerWaalsContact O-CG 3.27Å; T109-M113 WeakPolarHBondContact O-CG 3.42Å; T109-M113 PolarHBondContact O-N 2.99Å
110A92.4Very high86.4Confident37 Ų3766.7 Ų66.731%0.30639%0.39SS..Hα-helixtrans-67.2-39.2177.700000111.9F106 S107 L112 M113 L114F106-A110 HydrophobicContact CB-CB 4.05Å; S107-A110 WeakPolarHBondContact O-CB 3.35Å; S107-A110 PolarHBondContact O-N 2.79Å; S107-A110 WeakPolarHBondContact OG-CB 3.48Å; S107-A110 PolarHBondContact OG-N 3.36Å; A110-L112 PolarHBondContact O-N 2.97Å; A110-M113 PolarHBondContact O-N 3.46Å; A110-L114 WeakPolarHBondContact O-CB 3.36Å; A110-L114 PolarHBondContact O-N 3.43Å
111W91.5Very high87.8Confident95 Ų9564.1 Ų64.136%0.3638%0.375SS..Hα-helixtrans-59.7-44.9173.1-76.3113.4000112.5T103 F106 S107 P108 L114 A115 F185T103-W111 PolarHBondContact O-NE1 3.09Å; F106-W111 HydrophobicContact CB-CD2 4.42Å; F106-W111 HydrophobicContact CB-CG 4.42Å; F106-W111 HydrophobicContact CB-CZ2 4.44Å; F106-W111 HydrophobicContact CD2-CH2 4.21Å; F106-W111 AromaticContact CD2-CZ2 3.93Å; F106-W111 HydrophobicContact CD2-CZ2 3.93Å; F106-W111 PolarHBondContact O-NE1 3.35Å; S107-W111 PolarHBondContact O-N 3.08Å; S107-W111 VanDerWaalsContact O-N 3.14Å; P108-W111 PolarHBondContact O-N 2.92Å; W111-L114 HydrophobicContact CE3-CD2 4.33Å; W111-L114 HydrophobicContact CZ3-CD2 4.26Å; W111-L114 PolarHBondContact O-N 3Å; W111-A115 PolarHBondContact O-N 3.3Å; W111-F185 HydrophobicContact CH2-CE2 4.49Å; W111-F185 HydrophobicContact CZ2-CE2 4.44Å
112L94.3Very high89.2Confident124 Ų12462.4 Ų62.465%0.64937%0.366SS*.Hα-helixtrans-63.8-41.3176.6-72.7170.6000112P108 T109 A110 A115 A116P108-L112 WeakPolarHBondContact O-CG 3.37Å; P108-L112 PolarHBondContact O-N 2.98Å; P108-L112 VanDerWaalsContact O-N 3.12Å; T109-L112 PolarHBondContact O-N 3.37Å; A110-L112 PolarHBondContact O-N 2.97Å; L112-A115 PolarHBondContact O-N 3.47Å; L112-A116 WeakPolarHBondContact O-CB 3.43Å; L112-A116 PolarHBondContact O-N 3.44Å
113M94.9Very high90.4Very high136 Ų13664.1 Ų64.167%0.6738%0.375SS*.Hα-helixtrans-63.6-41176.1-71.8-62.7-67.700111.8T109 A110 A116 Y117T109-M113 VanDerWaalsContact O-CG 3.27Å; T109-M113 WeakPolarHBondContact O-CG 3.42Å; T109-M113 PolarHBondContact O-N 2.99Å; A110-M113 PolarHBondContact O-N 3.46Å; M113-A116 PolarHBondContact O-N 2.99Å; M113-Y117 WeakPolarHBondContact O-CB 3.42Å; M113-Y117 PolarHBondContact O-N 3Å
114L94Very high91.4Very high27 Ų2765.1 Ų65.114%0.14138%0.376CS..Hα-helixtrans-62.4-46.6175.3-178.364000111.3A110 W111 A116 Y117 V118 V153 M177 L181A110-L114 WeakPolarHBondContact O-CB 3.36Å; A110-L114 PolarHBondContact O-N 3.43Å; W111-L114 HydrophobicContact CE3-CD2 4.33Å; W111-L114 HydrophobicContact CZ3-CD2 4.26Å; W111-L114 PolarHBondContact O-N 3Å; L114-A116 PolarHBondContact O-N 3.48Å; L114-Y117 PolarHBondContact O-N 3.46Å; L114-V118 WeakPolarHBondContact O-CG2 3.38Å; L114-V118 PolarHBondContact O-N 2.89Å; L114-V153 HydrophobicContact CD2-CG1 4.39Å; L114-M177 HydrophobicContact CD1-CE 4.1Å; L114-L181 HydrophobicContact CD1-CD2 3.71Å; L114-L181 HydrophobicContact CD2-CD2 3.92Å; L114-L181 HydrophobicContact CG-CD2 4.5Å
115A94.2Very high92.3Very high53 Ų5362 Ų6244%0.43835%0.35SS..Hα-helixtrans-60.8-44.4176.900000111.9W111 L112 Y117 V118 V119W111-A115 PolarHBondContact O-N 3.3Å; L112-A115 PolarHBondContact O-N 3.47Å; A115-Y117 VanDerWaalsContact C-N 3.31Å; A115-Y117 PolarHBondContact O-N 3.45Å; A115-V118 PolarHBondContact O-N 2.98Å; A115-V119 WeakPolarHBondContact O-CG2 2.91Å; A115-V119 PolarHBondContact O-N 2.92Å; A115-V119 VanDerWaalsContact O-N 3.08Å
116A96.1Very high92.9Very high50 Ų5063.3 Ų63.341%0.41335%0.354SS..Hα-helixtrans-61.9-38.8175.500000111.9L112 M113 L114 V119 T120L112-A116 WeakPolarHBondContact O-CB 3.43Å; L112-A116 PolarHBondContact O-N 3.44Å; M113-A116 PolarHBondContact O-N 2.99Å; L114-A116 PolarHBondContact O-N 3.48Å; A116-V119 PolarHBondContact O-N 3.44Å; A116-T120 WeakPolarHBondContact O-CB 3.32Å; A116-T120 VanDerWaalsContact O-CG2 3.31Å; A116-T120 WeakPolarHBondContact O-CG2 3.49Å; A116-T120 PolarHBondContact O-N 2.79Å; A116-T120 PolarHBondContact O-OG1 2.9Å
117Y94.3Very high93.3Very high113 Ų11363.2 Ų63.244%0.44336%0.364SS..Hα-helixtrans-68.4-37.6179.5-164.9-118.5000112.5M113 L114 A115 T120 S121 W174M113-Y117 WeakPolarHBondContact O-CB 3.42Å; M113-Y117 PolarHBondContact O-N 3Å; L114-Y117 PolarHBondContact O-N 3.46Å; A115-Y117 VanDerWaalsContact C-N 3.31Å; A115-Y117 PolarHBondContact O-N 3.45Å; Y117-T120 WeakPolarHBondContact CA-OG1 3.34Å; Y117-T120 PolarHBondContact O-OG1 3.01Å; Y117-T120 VanDerWaalsContact O-OG1 3.14Å; Y117-S121 VanDerWaalsContact O-CB 3.23Å; Y117-S121 WeakPolarHBondContact O-CB 3.03Å; Y117-S121 PolarHBondContact O-N 3.29Å; Y117-S121 PolarHBondContact O-OG 3.29Å; Y117-W174 AromaticContact CD1-CH2 3.33Å; Y117-W174 HydrophobicContact CD1-CH2 3.33Å; Y117-W174 AromaticContact CD1-CZ2 3.18Å; Y117-W174 HydrophobicContact CD1-CZ2 3.18Å; Y117-W174 HydrophobicContact CD1-CZ3 4.3Å; Y117-W174 AromaticContact CE1-CE2 3.71Å; Y117-W174 AromaticContact CE1-CH2 3.75Å; Y117-W174 HydrophobicContact CE1-CH2 3.75Å; Y117-W174 AromaticContact CE1-CZ2 3.31Å; Y117-W174 HydrophobicContact CE1-CZ2 3.31Å; Y117-W174 HydrophobicContact CE1-CZ3 4.45Å; Y117-W174 HydrophobicContact CG-CH2 4.37Å; Y117-W174 HydrophobicContact CG-CZ2 4.08Å
118V95.3Very high93.5Very high16 Ų1662.5 Ų62.510%0.09736%0.355CS..Hα-helixtrans-62.7-49.2172.7170.70000110.9L114 A115 S121 G122 F149 F150 V153 W174L114-V118 WeakPolarHBondContact O-CG2 3.38Å; L114-V118 PolarHBondContact O-N 2.89Å; A115-V118 PolarHBondContact O-N 2.98Å; V118-S121 PolarHBondContact O-N 3.25Å; V118-G122 PolarHBondContact O-N 2.92Å; V118-F149 HydrophobicContact CG1-CB 4.09Å; V118-F150 HydrophobicContact CG1-CB 4.26Å; V118-V153 HydrophobicContact CG2-CG2 3.81Å; V118-W174 HydrophobicContact CG2-CH2 3.86Å
119V95.9Very high93.5Very high75 Ų7557.7 Ų57.746%0.45532%0.323SS..Hα-helixtrans-64.5-46.9-178.8174.20000111.4A115 A116 S121 G122 L123A115-V119 WeakPolarHBondContact O-CG2 2.91Å; A115-V119 PolarHBondContact O-N 2.92Å; A115-V119 VanDerWaalsContact O-N 3.08Å; A116-V119 PolarHBondContact O-N 3.44Å; V119-S121 VanDerWaalsContact C-N 3.35Å; V119-S121 PolarHBondContact O-N 2.96Å; V119-G122 PolarHBondContact O-N 2.84Å; V119-L123 HydrophobicContact CG1-CD1 4.16Å; V119-L123 WeakPolarHBondContact O-CG 3.49Å; V119-L123 PolarHBondContact O-N 3.11Å
120T95.7Very high93.2Very high67 Ų6756.1 Ų56.141%0.41131%0.311SS..Hα-helixtrans-63.5-40.6179.250.80000111.8A116 Y117 L123 I124A116-T120 WeakPolarHBondContact O-CB 3.32Å; A116-T120 VanDerWaalsContact O-CG2 3.31Å; A116-T120 WeakPolarHBondContact O-CG2 3.49Å; A116-T120 PolarHBondContact O-N 2.79Å; A116-T120 PolarHBondContact O-OG1 2.9Å; Y117-T120 WeakPolarHBondContact CA-OG1 3.34Å; Y117-T120 PolarHBondContact O-OG1 3.01Å; Y117-T120 VanDerWaalsContact O-OG1 3.14Å; T120-L123 PolarHBondContact O-N 2.71Å; T120-I124 VanDerWaalsContact O-CG1 3.26Å; T120-I124 WeakPolarHBondContact O-CG1 3.27Å; T120-I124 PolarHBondContact O-N 3Å
121S94.3Very high93Very high5 Ų558.3 Ų58.34%0.03533%0.33CS..Hα-helixtrans-64.8-40.7174.3-62.50000112.5Y117 V118 V119 L123 I124 F125 F149 M170 W174Y117-S121 VanDerWaalsContact O-CB 3.23Å; Y117-S121 WeakPolarHBondContact O-CB 3.03Å; Y117-S121 PolarHBondContact O-N 3.29Å; Y117-S121 PolarHBondContact O-OG 3.29Å; V118-S121 PolarHBondContact O-N 3.25Å; V119-S121 VanDerWaalsContact C-N 3.35Å; V119-S121 PolarHBondContact O-N 2.96Å; S121-L123 PolarHBondContact O-N 3.5Å; S121-I124 PolarHBondContact O-N 3.35Å; S121-F125 WeakPolarHBondContact O-CB 3.41Å; S121-F125 PolarHBondContact O-N 3.13Å; S121-F149 WeakPolarHBondContact O-CE2 2.98Å; S121-M170 VanDerWaalsContact O-CE 3.26Å; S121-M170 WeakPolarHBondContact O-CE 3.41Å; S121-W174 VanDerWaalsContact CB-NE1 3.28Å; S121-W174 WeakPolarHBondContact OG-CZ2 3.4Å; S121-W174 PolarHBondContact OG-NE1 3.09Å
122G93.7Very high92.8Very high0 Ų055.4 Ų55.40%032%0.321CS..Hα-helixtrans-59.7-43.617400000112.9V118 V119 F125 F126 A145V118-G122 PolarHBondContact O-N 2.92Å; V119-G122 PolarHBondContact O-N 2.84Å; G122-F125 PolarHBondContact O-N 3.31Å; G122-F126 WeakPolarHBondContact O-CB 3.38Å; G122-F126 PolarHBondContact O-N 3.04Å; G122-A145 WeakPolarHBondContact O-CB 3.16Å
123L95Very high92.2Very high85 Ų8556.2 Ų56.245%0.44532%0.319SS..Hα-helixtrans-66.1-41.6176.8-68.2172.7000112.5V119 T120 S121 F126 G127 V142V119-L123 HydrophobicContact CG1-CD1 4.16Å; V119-L123 WeakPolarHBondContact O-CG 3.49Å; V119-L123 PolarHBondContact O-N 3.11Å; T120-L123 PolarHBondContact O-N 2.71Å; S121-L123 PolarHBondContact O-N 3.5Å; L123-F126 PolarHBondContact O-N 3.28Å; L123-G127 PolarHBondContact O-N 2.99Å; L123-V142 HydrophobicContact CD2-CG1 3.71Å
124I93.6Very high91.4Very high96 Ų9658.9 Ų58.949%0.49233%0.33SS..Hα-helixtrans-63.2-46.2176.2-69.1165.4000110.2T120 S121 F126 G127 I128 M170T120-I124 VanDerWaalsContact O-CG1 3.26Å; T120-I124 WeakPolarHBondContact O-CG1 3.27Å; T120-I124 PolarHBondContact O-N 3Å; S121-I124 PolarHBondContact O-N 3.35Å; I124-F126 PolarHBondContact O-N 3.28Å; I124-G127 PolarHBondContact O-N 3.2Å; I124-G127 VanDerWaalsContact O-N 3.16Å; I124-I128 HydrophobicContact CG2-CD1 3.81Å; I124-I128 HydrophobicContact CG2-CG1 4.43Å; I124-I128 WeakPolarHBondContact O-CG1 3.49Å; I124-I128 PolarHBondContact O-N 2.57Å; I124-M170 HydrophobicContact CB-CE 4.16Å; I124-M170 HydrophobicContact CG2-CE 3.99Å; I124-M170 HydrophobicContact CG2-SD 4.37Å
125F92Very high90.5Very high0 Ų067.3 Ų67.30%036%0.36CS..Hα-helixtrans-62.7-43.3178.7-173.3-104.7000112.2S121 G122 G127 I128 C129 Y140 A145 F149 P162 C167 M170 V171S121-F125 WeakPolarHBondContact O-CB 3.41Å; S121-F125 PolarHBondContact O-N 3.13Å; G122-F125 PolarHBondContact O-N 3.31Å; F125-G127 VanDerWaalsContact C-N 3.31Å; F125-G127 PolarHBondContact O-N 3.24Å; F125-I128 PolarHBondContact O-N 3.31Å; F125-C129 WeakPolarHBondContact O-CB 3.33Å; F125-C129 PolarHBondContact O-N 2.69Å; F125-C129 PolarHBondContact O-SG 3.42Å; F125-Y140 AromaticContact CE1-CD2 3.7Å; F125-Y140 HydrophobicContact CE1-CD2 3.7Å; F125-Y140 AromaticContact CE1-CE2 3.74Å; F125-Y140 HydrophobicContact CE1-CE2 3.74Å; F125-Y140 HydrophobicContact CE1-CG 4.41Å; F125-Y140 HydrophobicContact CZ-CD2 4.49Å; F125-Y140 HydrophobicContact CZ-CE2 4.15Å; F125-A145 HydrophobicContact CD1-CB 4.16Å; F125-F149 HydrophobicContact CB-CE2 3.39Å; F125-F149 HydrophobicContact CB-CZ 3.73Å; F125-F149 HydrophobicContact CD1-CE2 4.15Å; F125-F149 HydrophobicContact CD2-CE2 4.25Å; F125-F149 AromaticContact CD2-CZ 3.89Å; F125-F149 HydrophobicContact CD2-CZ 3.89Å; F125-F149 AromaticContact CG-CE2 3.7Å; F125-F149 HydrophobicContact CG-CE2 3.7Å; F125-F149 AromaticContact CG-CZ 3.83Å; F125-F149 HydrophobicContact CG-CZ 3.83Å; F125-P162 HydrophobicContact CZ-CB 4.42Å; F125-C167 HydrophobicContact CE2-CB 3.77Å; F125-C167 HydrophobicContact CZ-CB 4.48Å; F125-M170 HydrophobicContact CB-CE 4.04Å; F125-M170 HydrophobicContact CB-SD 4.13Å; F125-M170 HydrophobicContact CD2-SD 3.91Å; F125-V171 HydrophobicContact CE2-CG2 4.16Å
126F91.5Very high89.8Confident56 Ų5671.7 Ų71.725%0.24637%0.371CS..Hα-helixtrans-56.7-45171.9174-104.9000111.8G122 L123 I124 C129 N130 Y140 V142 A145G122-F126 WeakPolarHBondContact O-CB 3.38Å; G122-F126 PolarHBondContact O-N 3.04Å; L123-F126 PolarHBondContact O-N 3.28Å; I124-F126 PolarHBondContact O-N 3.28Å; F126-C129 PolarHBondContact O-N 3.23Å; F126-N130 WeakPolarHBondContact CE1-ND2 3.18Å; F126-N130 VanDerWaalsContact CE2-ND2 3.29Å; F126-N130 WeakPolarHBondContact CE2-ND2 3.31Å; F126-N130 WeakPolarHBondContact CZ-ND2 3.43Å; F126-N130 WeakPolarHBondContact O-CB 3.23Å; F126-N130 PolarHBondContact O-N 3.16Å; F126-N130 PolarHBondContact O-ND2 2.9Å; F126-Y140 WeakPolarHBondContact CD2-O 3.3Å; F126-Y140 WeakPolarHBondContact CE2-O 3.28Å; F126-V142 HydrophobicContact CD1-CG2 3.77Å; F126-V142 HydrophobicContact CD2-CG2 4.04Å; F126-V142 HydrophobicContact CE1-CG2 3.59Å; F126-V142 HydrophobicContact CE2-CG2 3.89Å; F126-V142 HydrophobicContact CG-CG2 3.98Å; F126-V142 HydrophobicContact CZ-CG2 3.63Å; F126-A145 HydrophobicContact CB-CB 3.91Å
127G91.5Very high89Confident37 Ų3769.8 Ų69.838%0.38135%0.354SS..Hα-helixtrans-60.3-44.8176.100000113.1L123 I124 F125 N130 A131L123-G127 PolarHBondContact O-N 2.99Å; I124-G127 PolarHBondContact O-N 3.2Å; I124-G127 VanDerWaalsContact O-N 3.16Å; F125-G127 VanDerWaalsContact C-N 3.31Å; F125-G127 PolarHBondContact O-N 3.24Å; G127-N130 PolarHBondContact O-N 3.03Å; G127-A131 WeakPolarHBondContact O-CB 3.14Å; G127-A131 PolarHBondContact O-N 3.17Å
128I90.5Very high88.4Confident43 Ų4366.4 Ų66.422%0.22135%0.345CS..Hα-helixtrans-65.8-46.1178.5-65.5168.1000111I124 F125 N130 A131 L132 T166 C167 M170I124-I128 HydrophobicContact CG2-CD1 3.81Å; I124-I128 HydrophobicContact CG2-CG1 4.43Å; I124-I128 WeakPolarHBondContact O-CG1 3.49Å; I124-I128 PolarHBondContact O-N 2.57Å; F125-I128 PolarHBondContact O-N 3.31Å; I128-N130 VanDerWaalsContact C-N 3.31Å; I128-N130 PolarHBondContact O-N 2.84Å; I128-A131 PolarHBondContact O-N 3.23Å; I128-L132 HydrophobicContact CG2-CD1 3.66Å; I128-L132 HydrophobicContact CG2-CG 4.47Å; I128-L132 WeakPolarHBondContact O-CB 3.47Å; I128-L132 WeakPolarHBondContact O-CG 3.36Å; I128-L132 PolarHBondContact O-N 3.29Å; I128-T166 HydrophobicContact CG2-CG2 4.39Å; I128-C167 VanDerWaalsContact CG2-SG 3.6Å; I128-M170 HydrophobicContact CD1-SD 4.15Å
129C88.5Confident87.8Confident1 Ų169.1 Ų69.11%0.00736%0.357CS..Hα-helixtrans-61.9-37.9177.8-75.50000112.5F125 F126 L132 K133 Q139F125-C129 WeakPolarHBondContact O-CB 3.33Å; F125-C129 PolarHBondContact O-N 2.69Å; F125-C129 PolarHBondContact O-SG 3.42Å; F126-C129 PolarHBondContact O-N 3.23Å; C129-L132 PolarHBondContact O-N 3.16Å; C129-K133 PolarHBondContact O-N 3.41Å; C129-Q139 PolarHBondContact O-NE2 3.47Å; C129-Q139 VanDerWaalsContact O-NE2 3.08Å
130N87.9Confident87.3Confident62 Ų6266.8 Ų66.833%0.33234%0.34SS..Hα-helixtrans-68.8-39.5174.5-76.8-23.7000112.3F126 G127 I128 L132 K133 Q139F126-N130 WeakPolarHBondContact CE1-ND2 3.18Å; F126-N130 VanDerWaalsContact CE2-ND2 3.29Å; F126-N130 WeakPolarHBondContact CE2-ND2 3.31Å; F126-N130 WeakPolarHBondContact CZ-ND2 3.43Å; F126-N130 WeakPolarHBondContact O-CB 3.23Å; F126-N130 PolarHBondContact O-N 3.16Å; F126-N130 PolarHBondContact O-ND2 2.9Å; G127-N130 PolarHBondContact O-N 3.03Å; I128-N130 VanDerWaalsContact C-N 3.31Å; I128-N130 PolarHBondContact O-N 2.84Å; N130-L132 VanDerWaalsContact C-N 3.28Å; N130-L132 PolarHBondContact O-N 3.49Å; N130-K133 VanDerWaalsContact O-CB 3.24Å; N130-K133 WeakPolarHBondContact O-CB 3.42Å; N130-K133 PolarHBondContact O-N 3.06Å; N130-Q139 PolarHBondContact OD1-OE1 2.9Å
131A88.5Confident87Confident83 Ų8366 Ų6669%0.68634%0.337SS*.Hα-helixtrans-67.1-29.9176.800000112.5G127 I128 K133G127-A131 WeakPolarHBondContact O-CB 3.14Å; G127-A131 PolarHBondContact O-N 3.17Å; I128-A131 PolarHBondContact O-N 3.23Å; A131-K133 VanDerWaalsContact C-N 3.33Å
132L86.8Confident86.8Confident35 Ų3568.7 Ų68.718%0.18335%0.353CS..THydrogen-bonded Turntrans-92.513.3178.1-66.3168.5000113.4I128 C129 N130 E134 R135 E137I128-L132 HydrophobicContact CG2-CD1 3.66Å; I128-L132 HydrophobicContact CG2-CG 4.47Å; I128-L132 WeakPolarHBondContact O-CB 3.47Å; I128-L132 WeakPolarHBondContact O-CG 3.36Å; I128-L132 PolarHBondContact O-N 3.29Å; C129-L132 PolarHBondContact O-N 3.16Å; N130-L132 VanDerWaalsContact C-N 3.28Å; N130-L132 PolarHBondContact O-N 3.49Å; L132-E134 PolarHBondContact O-N 3.24Å; L132-R135 PolarHBondContact O-N 3.05Å; L132-E137 HydrophobicContact CB-CB 4.11Å; L132-E137 HydrophobicContact CB-CG 3.91Å
133K81.1Confident86.7Confident140 Ų14074 Ų7461%0.60939%0.386SS*.G310 helixtrans-56.2-35.8-178.7-174.3174.1-176.9178.20113.1C129 N130 A131 R135 E136C129-K133 PolarHBondContact O-N 3.41Å; N130-K133 VanDerWaalsContact O-CB 3.24Å; N130-K133 WeakPolarHBondContact O-CB 3.42Å; N130-K133 PolarHBondContact O-N 3.06Å; A131-K133 VanDerWaalsContact C-N 3.33Å; K133-R135 PolarHBondContact O-N 3.09Å; K133-E136 PolarHBondContact O-N 3.49Å
134E78.2Confident86.5Confident193 Ų19374.9 Ų74.990%0.90239%0.387SS*.G310 helixtrans-66.3-19.2176.5-68.6-176.6174.800113.7L132 E136L132-E134 PolarHBondContact O-N 3.24Å; E134-E136 VanDerWaalsContact C-N 3.34Å
135R77Confident86.4Confident204 Ų20470.3 Ų70.377%0.7736%0.364SS*.G310 helixtrans-95.622.5178-63.7-167.1-179.6-129.71.5113.4L132 K133 E137L132-R135 PolarHBondContact O-N 3.05Å; K133-R135 PolarHBondContact O-N 3.09Å; R135-E137 VanDerWaalsContact C-N 3.25Å; R135-E137 PolarHBondContact O-N 3.12Å
136E77.8Confident86.5Confident144 Ų14471.6 Ų71.667%0.67337%0.373SS*.THydrogen-bonded Turntrans54.637.8-178.1-57.9-172.8167.800113.9K133 E134 R163K133-E136 PolarHBondContact O-N 3.49Å; E134-E136 VanDerWaalsContact C-N 3.34Å; E136-R163 WeakPolarHBondContact O-CD 3.46Å; E136-R163 PolarHBondContact O-NH1 3.38Å; E136-R163 VanDerWaalsContact O-NH1 3.09Å; E136-R163 IonicContact OE2-NH1 2.76Å
137E79.9Confident86.5Confident11 Ų1176.6 Ų76.65%0.05139%0.39CS..PPolyproline II helixtrans-75.4145.8172.9-91.4-77.7-140.100112.5L132 R135 Q139 R163 S164L132-E137 HydrophobicContact CB-CB 4.11Å; L132-E137 HydrophobicContact CB-CG 3.91Å; R135-E137 VanDerWaalsContact C-N 3.25Å; R135-E137 PolarHBondContact O-N 3.12Å; E137-Q139 PolarHBondContact O-N 3.38Å; E137-Q139 PolarHBondContact O-NE2 3.49Å; E137-Q139 VanDerWaalsContact O-NE2 3.13Å; E137-R163 PolarHBondContact OE1-N 2.98Å; E137-R163 WeakPolarHBondContact OE2-CB 3.36Å; E137-R163 PolarHBondContact OE2-N 3.37Å; E137-S164 VanDerWaalsContact OE1-CA 3.32Å; E137-S164 WeakPolarHBondContact OE1-CA 3.33Å; E137-S164 WeakPolarHBondContact OE1-CB 3.36Å; E137-S164 PolarHBondContact OE1-N 3.29Å; E137-S164 PolarHBondContact OE1-OG 2.82Å
138V81.2Confident86.5Confident41 Ų4175.5 Ų75.525%0.24838%0.376CS..PPolyproline II helixtrans-62.1124.4179.2-178.50000108.9Y140 V160V138-Y140 HydrophobicContact CB-CE2 4.01Å; V138-Y140 HydrophobicContact CG1-CD2 4.43Å; V138-Y140 HydrophobicContact CG1-CE1 4.4Å; V138-Y140 HydrophobicContact CG1-CE2 3.83Å; V138-Y140 WeakPolarHBondContact O-CD2 3.4Å; V138-V160 HydrophobicContact CG1-CG1 4.29Å; V138-V160 HydrophobicContact CG2-CG1 3.98Å
139Q83.8Confident86.7Confident74 Ų7473.4 Ų73.435%0.34637%0.365SS..PPolyproline II helixtrans-86.6128.7179.7-60.2-65.2-71.600109.1C129 N130 E137C129-Q139 PolarHBondContact O-NE2 3.47Å; C129-Q139 VanDerWaalsContact O-NE2 3.08Å; N130-Q139 PolarHBondContact OD1-OE1 2.9Å; E137-Q139 PolarHBondContact O-N 3.38Å; E137-Q139 PolarHBondContact O-NE2 3.49Å; E137-Q139 VanDerWaalsContact O-NE2 3.13Å
140Y84Confident86.9Confident25 Ų2577.9 Ų77.910%0.09838%0.384CS..  trans-114143.6174-65.8-84.6000108.5F125 F126 V138 E144 V148 V160F125-Y140 AromaticContact CE1-CD2 3.7Å; F125-Y140 HydrophobicContact CE1-CD2 3.7Å; F125-Y140 AromaticContact CE1-CE2 3.74Å; F125-Y140 HydrophobicContact CE1-CE2 3.74Å; F125-Y140 HydrophobicContact CE1-CG 4.41Å; F125-Y140 HydrophobicContact CZ-CD2 4.49Å; F125-Y140 HydrophobicContact CZ-CE2 4.15Å; F126-Y140 WeakPolarHBondContact CD2-O 3.3Å; F126-Y140 WeakPolarHBondContact CE2-O 3.28Å; V138-Y140 HydrophobicContact CB-CE2 4.01Å; V138-Y140 HydrophobicContact CG1-CD2 4.43Å; V138-Y140 HydrophobicContact CG1-CE1 4.4Å; V138-Y140 HydrophobicContact CG1-CE2 3.83Å; V138-Y140 WeakPolarHBondContact O-CD2 3.4Å; Y140-E144 HydrophobicContact CD1-CB 4.04Å; Y140-V148 HydrophobicContact CD1-CG2 4.46Å; Y140-V148 HydrophobicContact CE1-CG2 4.14Å; Y140-V160 PolarHBondContact OH-O 2.74Å; Y140-V160 VanDerWaalsContact OH-O 3.14Å
141S89.4Confident87.2Confident50 Ų5075.7 Ų75.735%0.3537%0.374SS..  trans-68.2162.6160.565.80000110.4V143 E144 A145S141-V143 PolarHBondContact O-N 3.47Å; S141-E144 VanDerWaalsContact CB-OE2 3.31Å; S141-E144 WeakPolarHBondContact CB-OE2 3.23Å; S141-E144 PolarHBondContact N-OE2 3.19Å; S141-E144 PolarHBondContact O-N 3.34Å; S141-E144 WeakPolarHBondContact OG-CB 3.18Å; S141-E144 WeakPolarHBondContact OG-CG 3.32Å; S141-E144 PolarHBondContact OG-N 2.9Å; S141-E144 PolarHBondContact OG-OE2 3.27Å; S141-A145 WeakPolarHBondContact O-CB 3.47Å; S141-A145 PolarHBondContact O-N 3.14Å
142V91.3Very high87.4Confident62 Ų6271.8 Ų71.838%0.37634%0.342SS..Hα-helixtrans-55.8-39.7177.4176.10000111.6L123 F126 C146L123-V142 HydrophobicContact CD2-CG1 3.71Å; F126-V142 HydrophobicContact CD1-CG2 3.77Å; F126-V142 HydrophobicContact CD2-CG2 4.04Å; F126-V142 HydrophobicContact CE1-CG2 3.59Å; F126-V142 HydrophobicContact CE2-CG2 3.89Å; F126-V142 HydrophobicContact CG-CG2 3.98Å; F126-V142 HydrophobicContact CZ-CG2 3.63Å; V142-C146 PolarHBondContact O-N 2.82Å; V142-C146 PolarHBondContact O-SG 2.76Å
143V91.6Very high87.7Confident113 Ų11371.5 Ų71.569%0.68534%0.341SS*.Hα-helixtrans-69.1-44.4179.7-178.80000110.7S141 A145 C146 W147S141-V143 PolarHBondContact O-N 3.47Å; V143-A145 VanDerWaalsContact C-N 3.34Å; V143-A145 PolarHBondContact O-N 3.03Å; V143-C146 PolarHBondContact O-N 3.38Å; V143-W147 VanDerWaalsContact O-CB 3.31Å; V143-W147 WeakPolarHBondContact O-CB 3.13Å; V143-W147 PolarHBondContact O-N 3.14Å
144E90.8Very high88.3Confident103 Ų10369.2 Ų69.248%0.48134%0.335SS..Hα-helixtrans-64.6-38.8177-69.8162.4151.700111.7Y140 S141 W147 V148Y140-E144 HydrophobicContact CD1-CB 4.04Å; S141-E144 VanDerWaalsContact CB-OE2 3.31Å; S141-E144 WeakPolarHBondContact CB-OE2 3.23Å; S141-E144 PolarHBondContact N-OE2 3.19Å; S141-E144 PolarHBondContact O-N 3.34Å; S141-E144 WeakPolarHBondContact OG-CB 3.18Å; S141-E144 WeakPolarHBondContact OG-CG 3.32Å; S141-E144 PolarHBondContact OG-N 2.9Å; S141-E144 PolarHBondContact OG-OE2 3.27Å; E144-W147 WeakPolarHBondContact O-CB 3.48Å; E144-W147 PolarHBondContact O-N 3.33Å; E144-V148 WeakPolarHBondContact O-CG2 3.35Å; E144-V148 PolarHBondContact O-N 3.19Å
145A92Very high88.9Confident0 Ų064.2 Ų64.20%031%0.312CS..Hα-helixtrans-63.7-42.4175.700000111.9G122 F125 F126 S141 V143 W147 V148 F149G122-A145 WeakPolarHBondContact O-CB 3.16Å; F125-A145 HydrophobicContact CD1-CB 4.16Å; F126-A145 HydrophobicContact CB-CB 3.91Å; S141-A145 WeakPolarHBondContact O-CB 3.47Å; S141-A145 PolarHBondContact O-N 3.14Å; V143-A145 VanDerWaalsContact C-N 3.34Å; V143-A145 PolarHBondContact O-N 3.03Å; A145-W147 VanDerWaalsContact C-N 3.32Å; A145-V148 PolarHBondContact O-N 3.48Å; A145-F149 VanDerWaalsContact O-CD2 3.3Å; A145-F149 WeakPolarHBondContact O-CD2 3.39Å
146C92.9Very high89.6Confident27 Ų2760.3 Ų60.318%0.18230%0.302CS..Hα-helixtrans-65.4-37.6172.4-650000111.7V142 V143 V148 F149 F150V142-C146 PolarHBondContact O-N 2.82Å; V142-C146 PolarHBondContact O-SG 2.76Å; V143-C146 PolarHBondContact O-N 3.38Å; C146-V148 VanDerWaalsContact C-N 3.3Å; C146-V148 PolarHBondContact O-N 3.42Å; C146-F149 PolarHBondContact O-N 2.96Å; C146-F150 WeakPolarHBondContact O-CB 3.4Å; C146-F150 PolarHBondContact O-N 2.81Å
147W92.4Very high90Very high161 Ų16156.5 Ų56.561%0.6130%0.302SS*.Hα-helixtrans-63-34.6177.8-171.1-97.8000112.7V143 E144 A145 F150 S151V143-W147 VanDerWaalsContact O-CB 3.31Å; V143-W147 WeakPolarHBondContact O-CB 3.13Å; V143-W147 PolarHBondContact O-N 3.14Å; E144-W147 WeakPolarHBondContact O-CB 3.48Å; E144-W147 PolarHBondContact O-N 3.33Å; A145-W147 VanDerWaalsContact C-N 3.32Å; W147-F150 HydrophobicContact CE3-CD1 4.08Å; W147-F150 HydrophobicContact CH2-CD1 4.34Å; W147-F150 HydrophobicContact CH2-CE1 4.26Å; W147-F150 AromaticContact CZ3-CD1 3.97Å; W147-F150 HydrophobicContact CZ3-CD1 3.97Å; W147-F150 HydrophobicContact CZ3-CE1 4.1Å; W147-F150 PolarHBondContact O-N 2.7Å; W147-S151 WeakPolarHBondContact O-CB 3.41Å; W147-S151 PolarHBondContact O-N 3.48Å; W147-S151 PolarHBondContact O-OG 3.11Å
148V91.5Very high90.2Very high13 Ų1357.3 Ų57.38%0.07931%0.306CS..Hα-helixtrans-58.1-51.4173.7166.90000111Y140 E144 A145 C146 S151 I152 L158Y140-V148 HydrophobicContact CD1-CG2 4.46Å; Y140-V148 HydrophobicContact CE1-CG2 4.14Å; E144-V148 WeakPolarHBondContact O-CG2 3.35Å; E144-V148 PolarHBondContact O-N 3.19Å; A145-V148 PolarHBondContact O-N 3.48Å; C146-V148 VanDerWaalsContact C-N 3.3Å; C146-V148 PolarHBondContact O-N 3.42Å; V148-S151 WeakPolarHBondContact O-CB 3.39Å; V148-S151 PolarHBondContact O-N 3.45Å; V148-I152 HydrophobicContact CG1-CD1 4.09Å; V148-I152 WeakPolarHBondContact O-CG1 3.44Å; V148-I152 PolarHBondContact O-N 3Å; V148-L158 HydrophobicContact CG1-CD2 3.51Å; V148-L158 HydrophobicContact CG1-CG 4.09Å
149F93.3Very high90.2Very high0 Ų061 Ų610%033%0.334CS..Hα-helixtrans-71.9-34.2-179.5-66.2-74.1000112.9V118 S121 F125 A145 C146 S151 I152 V153 M170 W174V118-F149 HydrophobicContact CG1-CB 4.09Å; S121-F149 WeakPolarHBondContact O-CE2 2.98Å; F125-F149 HydrophobicContact CB-CE2 3.39Å; F125-F149 HydrophobicContact CB-CZ 3.73Å; F125-F149 HydrophobicContact CD1-CE2 4.15Å; F125-F149 HydrophobicContact CD2-CE2 4.25Å; F125-F149 AromaticContact CD2-CZ 3.89Å; F125-F149 HydrophobicContact CD2-CZ 3.89Å; F125-F149 AromaticContact CG-CE2 3.7Å; F125-F149 HydrophobicContact CG-CE2 3.7Å; F125-F149 AromaticContact CG-CZ 3.83Å; F125-F149 HydrophobicContact CG-CZ 3.83Å; A145-F149 VanDerWaalsContact O-CD2 3.3Å; A145-F149 WeakPolarHBondContact O-CD2 3.39Å; C146-F149 PolarHBondContact O-N 2.96Å; F149-S151 VanDerWaalsContact C-N 3.29Å; F149-S151 PolarHBondContact O-N 2.62Å; F149-I152 HydrophobicContact CD1-CD1 4.07Å; F149-I152 HydrophobicContact CE1-CD1 4.37Å; F149-I152 PolarHBondContact O-N 3.13Å; F149-V153 WeakPolarHBondContact O-CG2 3.48Å; F149-V153 PolarHBondContact O-N 3.49Å; F149-M170 HydrophobicContact CE1-CE 4.19Å; F149-M170 HydrophobicContact CE2-CE 4.24Å; F149-M170 HydrophobicContact CZ-CE 3.6Å; F149-M170 HydrophobicContact CZ-CG 4.39Å; F149-M170 HydrophobicContact CZ-SD 4.19Å; F149-W174 HydrophobicContact CD1-CB 4.19Å; F149-W174 AromaticContact CD1-CD1 3.4Å; F149-W174 VanDerWaalsContact CD1-CD1 3.4Å; F149-W174 AromaticContact CD1-CD2 3.72Å; F149-W174 HydrophobicContact CD1-CD2 3.72Å; F149-W174 AromaticContact CD1-CE2 3.65Å; F149-W174 AromaticContact CD1-CG 3.51Å; F149-W174 HydrophobicContact CD1-CG 3.51Å; F149-W174 HydrophobicContact CD1-CZ2 4.39Å; F149-W174 AromaticContact CD1-NE1 3.47Å; F149-W174 HydrophobicContact CE1-CB 4.18Å; F149-W174 AromaticContact CE1-CD1 3.23Å; F149-W174 HydrophobicContact CE1-CD2 4.33Å; F149-W174 AromaticContact CE1-CG 3.66Å; F149-W174 HydrophobicContact CE1-CG 3.66Å; F149-W174 AromaticContact CE1-NE1 3.61Å
150F93.7Very high90.2Very high94 Ų9460.6 Ų60.641%0.41234%0.337SS..Hα-helixtrans-58.9-43.3170.6-178.9-107.9000111.5V118 C146 W147 I152 V153 L154V118-F150 HydrophobicContact CG1-CB 4.26Å; C146-F150 WeakPolarHBondContact O-CB 3.4Å; C146-F150 PolarHBondContact O-N 2.81Å; W147-F150 HydrophobicContact CE3-CD1 4.08Å; W147-F150 HydrophobicContact CH2-CD1 4.34Å; W147-F150 HydrophobicContact CH2-CE1 4.26Å; W147-F150 AromaticContact CZ3-CD1 3.97Å; W147-F150 HydrophobicContact CZ3-CD1 3.97Å; W147-F150 HydrophobicContact CZ3-CE1 4.1Å; W147-F150 PolarHBondContact O-N 2.7Å; F150-I152 PolarHBondContact O-N 3.4Å; F150-V153 PolarHBondContact O-N 3.05Å; F150-L154 HydrophobicContact CD1-CD1 4Å; F150-L154 HydrophobicContact CE1-CD1 3.37Å; F150-L154 HydrophobicContact CE1-CG 4.36Å; F150-L154 HydrophobicContact CE2-CD1 4.23Å; F150-L154 HydrophobicContact CZ-CD1 3.51Å; F150-L154 HydrophobicContact CZ-CG 4.25Å; F150-L154 PolarHBondContact O-N 3.36Å; F150-L154 VanDerWaalsContact O-N 3.09Å
151S93.4Very high90.2Very high16 Ų1664.7 Ų64.711%0.11236%0.36CS..Hα-helixtrans-62.8-42.5176.1-59.40000111.8W147 V148 F149 V153 L154 Q155 Q156W147-S151 WeakPolarHBondContact O-CB 3.41Å; W147-S151 PolarHBondContact O-N 3.48Å; W147-S151 PolarHBondContact O-OG 3.11Å; V148-S151 WeakPolarHBondContact O-CB 3.39Å; V148-S151 PolarHBondContact O-N 3.45Å; F149-S151 VanDerWaalsContact C-N 3.29Å; F149-S151 PolarHBondContact O-N 2.62Å; S151-V153 PolarHBondContact O-N 2.82Å; S151-L154 CarbonylContact O-C 3.58Å; S151-L154 PolarHBondContact O-N 2.84Å; S151-L154 VanDerWaalsContact O-N 3.16Å; S151-Q155 PolarHBondContact O-N 2.89Å; S151-Q156 PolarHBondContact O-N 3.33Å
152I93.9Very high90Very high2 Ų262.6 Ų62.61%0.0134%0.344CS..Hα-helixtrans-61-43.8176.4-68.6166.1000111.3V148 F149 F150 L154 Q155 L158 V171 W174 S178V148-I152 HydrophobicContact CG1-CD1 4.09Å; V148-I152 WeakPolarHBondContact O-CG1 3.44Å; V148-I152 PolarHBondContact O-N 3Å; F149-I152 HydrophobicContact CD1-CD1 4.07Å; F149-I152 HydrophobicContact CE1-CD1 4.37Å; F149-I152 PolarHBondContact O-N 3.13Å; F150-I152 PolarHBondContact O-N 3.4Å; I152-L154 VanDerWaalsContact C-N 3.28Å; I152-L154 PolarHBondContact O-N 3.39Å; I152-Q155 PolarHBondContact O-N 3.28Å; I152-L158 HydrophobicContact CD1-CD1 4.15Å; I152-L158 HydrophobicContact CG1-CD1 3.98Å; I152-V171 HydrophobicContact CD1-CG1 4.04Å; I152-W174 HydrophobicContact CD1-CB 4.34Å; I152-W174 HydrophobicContact CG2-CB 4.2Å; I152-W174 HydrophobicContact CG2-CE3 4.33Å; I152-S178 WeakPolarHBondContact O-CB 3.37Å; I152-S178 PolarHBondContact O-OG 2.93Å
153V93.5Very high89.7Confident29 Ų2966.6 Ų66.618%0.17635%0.353CS..Hα-helixtrans-60.2-38.9175.6170.70000111.4L114 V118 F149 F150 S151 Q155 W174 L181L114-V153 HydrophobicContact CD2-CG1 4.39Å; V118-V153 HydrophobicContact CG2-CG2 3.81Å; F149-V153 WeakPolarHBondContact O-CG2 3.48Å; F149-V153 PolarHBondContact O-N 3.49Å; F150-V153 PolarHBondContact O-N 3.05Å; S151-V153 PolarHBondContact O-N 2.82Å; V153-Q155 PolarHBondContact O-N 3.1Å; V153-W174 HydrophobicContact CG2-CE3 4.33Å; V153-W174 HydrophobicContact CG2-CH2 4.02Å; V153-W174 HydrophobicContact CG2-CZ3 3.46Å; V153-W174 VanDerWaalsContact CG2-CZ3 3.46Å; V153-L181 HydrophobicContact CG1-CD2 4.48Å
154L92.6Very high89.5Confident92 Ų9262.3 Ų62.348%0.48233%0.328SS..THydrogen-bonded Turntrans-79.411.1175.6-66.3-178.5000114.2F150 S151 I152 Q156F150-L154 HydrophobicContact CD1-CD1 4Å; F150-L154 HydrophobicContact CE1-CD1 3.37Å; F150-L154 HydrophobicContact CE1-CG 4.36Å; F150-L154 HydrophobicContact CE2-CD1 4.23Å; F150-L154 HydrophobicContact CZ-CD1 3.51Å; F150-L154 HydrophobicContact CZ-CG 4.25Å; F150-L154 PolarHBondContact O-N 3.36Å; F150-L154 VanDerWaalsContact O-N 3.09Å; S151-L154 CarbonylContact O-C 3.58Å; S151-L154 PolarHBondContact O-N 2.84Å; S151-L154 VanDerWaalsContact O-N 3.16Å; I152-L154 VanDerWaalsContact C-N 3.28Å; I152-L154 PolarHBondContact O-N 3.39Å; L154-Q156 HydrophobicContact CB-CG 4.14Å; L154-Q156 PolarHBondContact O-N 2.86Å; L154-Q156 VanDerWaalsContact O-N 3.17Å; L154-Q156 PolarHBondContact O-NE2 3.48Å
155Q91.2Very high89.4Confident88 Ų8863.5 Ų63.541%0.41134%0.337SS..THydrogen-bonded Turntrans56.228.1-177.6-54.3-166.4-26.600114.1S151 I152 V153S151-Q155 PolarHBondContact O-N 2.89Å; I152-Q155 PolarHBondContact O-N 3.28Å; V153-Q155 PolarHBondContact O-N 3.1Å
156Q91.7Very high89.3Confident121 Ų12167.5 Ų67.557%0.56536%0.361SS*.PPolyproline II helixtrans-90.7144.9174.3-59.4-56-48.700110.5S151 L154S151-Q156 PolarHBondContact O-N 3.33Å; L154-Q156 HydrophobicContact CB-CG 4.14Å; L154-Q156 PolarHBondContact O-N 2.86Å; L154-Q156 VanDerWaalsContact O-N 3.17Å; L154-Q156 PolarHBondContact O-NE2 3.48Å
157G85.7Confident89.1Confident64 Ų6466.2 Ų66.266%0.6635%0.353SS*.PPolyproline II helixtrans-68.2155.4175.100000112.4
158L85.1Confident89.1Confident28 Ų2865 Ų6515%0.14735%0.348CS..PPolyproline II helixtrans-78.4139.4170.3-69.685.3000109.7V148 I152 V171 W175V148-L158 HydrophobicContact CG1-CD2 3.51Å; V148-L158 HydrophobicContact CG1-CG 4.09Å; I152-L158 HydrophobicContact CD1-CD1 4.15Å; I152-L158 HydrophobicContact CG1-CD1 3.98Å; L158-V171 HydrophobicContact CD1-CG1 4.05Å; L158-V171 HydrophobicContact CD2-CG1 4.42Å; L158-V171 HydrophobicContact CD2-CG2 4.45Å; L158-W175 HydrophobicContact CD1-CZ2 3.85Å
159S79.7Confident89.1Confident119 Ų11969.3 Ų69.383%0.83237%0.37SS*.SBendtrans-69.1-34.7174.153.10000112.5
160V84.3Confident89.1Confident66 Ų6671.1 Ų71.140%0.438%0.379SS..SBendtrans-134.9129.3178.8-1750000109.2V138 Y140V138-V160 HydrophobicContact CG1-CG1 4.29Å; V138-V160 HydrophobicContact CG2-CG1 3.98Å; Y140-V160 PolarHBondContact OH-O 2.74Å; Y140-V160 VanDerWaalsContact OH-O 3.14Å
161L84.2Confident89Confident111 Ų11166.9 Ų66.958%0.58136%0.361SS*.  trans-84.3139.9178.2-76.781.4000111
162P85.1Confident89Confident5 Ų568.3 Ų68.33%0.03237%0.374CS..  trans-66.1148174.326.1-32.1000112F125 C167 R168 V171F125-P162 HydrophobicContact CZ-CB 4.42Å; P162-C167 HydrophobicContact CB-CB 3.45Å; P162-C167 VanDerWaalsContact CB-CB 3.45Å; P162-C167 HydrophobicContact CG-CB 3.96Å; P162-R168 HydrophobicContact CG-CG 4.11Å; P162-R168 PolarHBondContact O-NE 3.46Å; P162-V171 HydrophobicContact CG-CG2 4.25Å
163R85.1Confident89Confident147 Ų14772.8 Ų72.856%0.55540%0.401SS*.  trans-87.2-38.9-176.2-67.1177.7170.9-174.8-6.9112.7E136 E137 R168E136-R163 WeakPolarHBondContact O-CD 3.46Å; E136-R163 PolarHBondContact O-NH1 3.38Å; E136-R163 VanDerWaalsContact O-NH1 3.09Å; E136-R163 IonicContact OE2-NH1 2.76Å; E137-R163 PolarHBondContact OE1-N 2.98Å; E137-R163 WeakPolarHBondContact OE2-CB 3.36Å; E137-R163 PolarHBondContact OE2-N 3.37Å; R163-R168 PolarHBondContact O-NE 3.4Å
164S87.3Confident89Confident23 Ų2371.7 Ų71.716%0.16139%0.394CS..SBendtrans-73.9149.9-176.670.20000112.3E137 T166 C167 R168E137-S164 VanDerWaalsContact OE1-CA 3.32Å; E137-S164 WeakPolarHBondContact OE1-CA 3.33Å; E137-S164 WeakPolarHBondContact OE1-CB 3.36Å; E137-S164 PolarHBondContact OE1-N 3.29Å; E137-S164 PolarHBondContact OE1-OG 2.82Å; S164-T166 VanDerWaalsContact C-N 3.31Å; S164-T166 PolarHBondContact O-N 3.04Å; S164-C167 WeakPolarHBondContact OG-CB 3.32Å; S164-C167 PolarHBondContact OG-N 3.06Å; S164-C167 PolarHBondContact OG-SG 3.2Å; S164-C167 VanDerWaalsContact OG-SG 3.35Å; S164-R168 VanDerWaalsContact O-CG 3.28Å; S164-R168 WeakPolarHBondContact O-CG 3.39Å; S164-R168 PolarHBondContact O-N 2.93Å; S164-R168 VanDerWaalsContact O-N 3.1Å
165L88.5Confident89Confident128 Ų12873.2 Ų73.267%0.6739%0.393SS*.Hα-helixtrans-61.5-40.3176.1-176.165.6000111.7R168 L169L165-R168 PolarHBondContact O-N 3.37Å; L165-L169 HydrophobicContact CD1-CG 4.41Å; L165-L169 HydrophobicContact CG-CD1 4.11Å; L165-L169 HydrophobicContact CG-CG 4.42Å; L165-L169 WeakPolarHBondContact O-CG 3.45Å; L165-L169 PolarHBondContact O-N 2.93Å
166T90.6Very high89.2Confident83 Ų8375 Ų7551%0.50941%0.405SS..Hα-helixtrans-60.8-49.4-178.9-48.10000111.6I128 S164 R168 L169 M170I128-T166 HydrophobicContact CG2-CG2 4.39Å; S164-T166 VanDerWaalsContact C-N 3.31Å; S164-T166 PolarHBondContact O-N 3.04Å; T166-R168 VanDerWaalsContact C-N 3.34Å; T166-R168 PolarHBondContact O-N 2.94Å; T166-L169 PolarHBondContact O-N 2.74Å; T166-M170 PolarHBondContact O-N 3.08Å
167C89Confident89.3Confident0 Ų071.7 Ų71.70%039%0.39CS..Hα-helixtrans-65.4-38.2177.8-69.90000111.8F125 I128 P162 S164 M170 V171F125-C167 HydrophobicContact CE2-CB 3.77Å; F125-C167 HydrophobicContact CZ-CB 4.48Å; I128-C167 VanDerWaalsContact CG2-SG 3.6Å; P162-C167 HydrophobicContact CB-CB 3.45Å; P162-C167 VanDerWaalsContact CB-CB 3.45Å; P162-C167 HydrophobicContact CG-CB 3.96Å; S164-C167 WeakPolarHBondContact OG-CB 3.32Å; S164-C167 PolarHBondContact OG-N 3.06Å; S164-C167 PolarHBondContact OG-SG 3.2Å; S164-C167 VanDerWaalsContact OG-SG 3.35Å; C167-M170 PolarHBondContact O-N 3.39Å; C167-V171 WeakPolarHBondContact O-CG2 3.43Å; C167-V171 PolarHBondContact O-N 3.44Å
168R91.2Very high89.7Confident137 Ų13769 Ų6952%0.51736%0.361SS..Hα-helixtrans-63.2-42.5175.3-73.5176.9-176-173.33112.7P162 R163 S164 L165 T166 V171 A172P162-R168 HydrophobicContact CG-CG 4.11Å; P162-R168 PolarHBondContact O-NE 3.46Å; R163-R168 PolarHBondContact O-NE 3.4Å; S164-R168 VanDerWaalsContact O-CG 3.28Å; S164-R168 WeakPolarHBondContact O-CG 3.39Å; S164-R168 PolarHBondContact O-N 2.93Å; S164-R168 VanDerWaalsContact O-N 3.1Å; L165-R168 PolarHBondContact O-N 3.37Å; T166-R168 VanDerWaalsContact C-N 3.34Å; T166-R168 PolarHBondContact O-N 2.94Å; R168-V171 PolarHBondContact O-N 3.01Å; R168-A172 VanDerWaalsContact O-CB 3.3Å; R168-A172 WeakPolarHBondContact O-CB 3.43Å; R168-A172 PolarHBondContact O-N 3.39Å
169L92.9Very high90.2Very high103 Ų10372 Ų7254%0.53938%0.38SS..Hα-helixtrans-64.7-42.4176.8-74.5173000111.5L165 T166 V171 A172 V173L165-L169 HydrophobicContact CD1-CG 4.41Å; L165-L169 HydrophobicContact CG-CD1 4.11Å; L165-L169 HydrophobicContact CG-CG 4.42Å; L165-L169 WeakPolarHBondContact O-CG 3.45Å; L165-L169 PolarHBondContact O-N 2.93Å; T166-L169 PolarHBondContact O-N 2.74Å; L169-V171 PolarHBondContact O-N 3.44Å; L169-A172 PolarHBondContact O-N 3.47Å; L169-V173 WeakPolarHBondContact O-CG2 3.36Å; L169-V173 PolarHBondContact O-N 3.45Å
170M91.8Very high90.9Very high37 Ų3769.8 Ų69.818%0.18236%0.362CS..Hα-helixtrans-59.6-46.6175.8-175.3177.3178.900111.7S121 I124 F125 I128 F149 T166 C167 V173 W174S121-M170 VanDerWaalsContact O-CE 3.26Å; S121-M170 WeakPolarHBondContact O-CE 3.41Å; I124-M170 HydrophobicContact CB-CE 4.16Å; I124-M170 HydrophobicContact CG2-CE 3.99Å; I124-M170 HydrophobicContact CG2-SD 4.37Å; F125-M170 HydrophobicContact CB-CE 4.04Å; F125-M170 HydrophobicContact CB-SD 4.13Å; F125-M170 HydrophobicContact CD2-SD 3.91Å; I128-M170 HydrophobicContact CD1-SD 4.15Å; F149-M170 HydrophobicContact CE1-CE 4.19Å; F149-M170 HydrophobicContact CE2-CE 4.24Å; F149-M170 HydrophobicContact CZ-CE 3.6Å; F149-M170 HydrophobicContact CZ-CG 4.39Å; F149-M170 HydrophobicContact CZ-SD 4.19Å; T166-M170 PolarHBondContact O-N 3.08Å; C167-M170 PolarHBondContact O-N 3.39Å; M170-V173 PolarHBondContact O-N 3.41Å; M170-W174 PolarHBondContact O-N 3.02Å; M170-W174 VanDerWaalsContact O-N 3.13Å
171V92.3Very high91.3Very high6 Ų668.3 Ų68.34%0.03635%0.351CS..Hα-helixtrans-64.5-40.5176.2171.90000111.4F125 I152 L158 P162 C167 R168 L169 V173 W174 W175F125-V171 HydrophobicContact CE2-CG2 4.16Å; I152-V171 HydrophobicContact CD1-CG1 4.04Å; L158-V171 HydrophobicContact CD1-CG1 4.05Å; L158-V171 HydrophobicContact CD2-CG1 4.42Å; L158-V171 HydrophobicContact CD2-CG2 4.45Å; P162-V171 HydrophobicContact CG-CG2 4.25Å; C167-V171 WeakPolarHBondContact O-CG2 3.43Å; C167-V171 PolarHBondContact O-N 3.44Å; R168-V171 PolarHBondContact O-N 3.01Å; L169-V171 PolarHBondContact O-N 3.44Å; V171-V173 PolarHBondContact O-N 2.95Å; V171-W174 CarbonylContact O-C 3.5Å; V171-W174 WeakPolarHBondContact O-CB 3.33Å; V171-W174 PolarHBondContact O-N 3.49Å; V171-W175 HydrophobicContact CG1-CD2 4.13Å; V171-W175 HydrophobicContact CG1-CG 4.47Å; V171-W175 HydrophobicContact CG1-CZ2 4.03Å; V171-W175 PolarHBondContact O-N 3.26Å
172A92.8Very high91.7Very high46 Ų4667.9 Ų67.938%0.3835%0.345SS..Hα-helixtrans-63.7-40.5179.200000112.9R168 L169 W174 W175 L176R168-A172 VanDerWaalsContact O-CB 3.3Å; R168-A172 WeakPolarHBondContact O-CB 3.43Å; R168-A172 PolarHBondContact O-N 3.39Å; L169-A172 PolarHBondContact O-N 3.47Å; A172-W174 VanDerWaalsContact C-N 3.33Å; A172-W175 PolarHBondContact O-N 3.17Å; A172-L176 PolarHBondContact O-N 2.94Å; A172-L176 VanDerWaalsContact O-N 3.08Å
173V94.2Very high92.1Very high96 Ų9670.5 Ų70.558%0.58237%0.367SS*.Hα-helixtrans-64.1-41.7173.8172.40000110.5L169 M170 V171 W175 L176 M177L169-V173 WeakPolarHBondContact O-CG2 3.36Å; L169-V173 PolarHBondContact O-N 3.45Å; M170-V173 PolarHBondContact O-N 3.41Å; V171-V173 PolarHBondContact O-N 2.95Å; V173-W175 PolarHBondContact O-N 3.22Å; V173-L176 PolarHBondContact O-N 2.93Å; V173-M177 PolarHBondContact O-N 3.25Å
174W93.6Very high92.5Very high6 Ų668.4 Ų68.42%0.02337%0.367CS..Hα-helixtrans-64.8-36.3175.5-105105.6000113.3Y117 V118 S121 F149 I152 V153 M170 V171 A172 M177 S178Y117-W174 AromaticContact CD1-CH2 3.33Å; Y117-W174 HydrophobicContact CD1-CH2 3.33Å; Y117-W174 AromaticContact CD1-CZ2 3.18Å; Y117-W174 HydrophobicContact CD1-CZ2 3.18Å; Y117-W174 HydrophobicContact CD1-CZ3 4.3Å; Y117-W174 AromaticContact CE1-CE2 3.71Å; Y117-W174 AromaticContact CE1-CH2 3.75Å; Y117-W174 HydrophobicContact CE1-CH2 3.75Å; Y117-W174 AromaticContact CE1-CZ2 3.31Å; Y117-W174 HydrophobicContact CE1-CZ2 3.31Å; Y117-W174 HydrophobicContact CE1-CZ3 4.45Å; Y117-W174 HydrophobicContact CG-CH2 4.37Å; Y117-W174 HydrophobicContact CG-CZ2 4.08Å; V118-W174 HydrophobicContact CG2-CH2 3.86Å; S121-W174 VanDerWaalsContact CB-NE1 3.28Å; S121-W174 WeakPolarHBondContact OG-CZ2 3.4Å; S121-W174 PolarHBondContact OG-NE1 3.09Å; F149-W174 HydrophobicContact CD1-CB 4.19Å; F149-W174 AromaticContact CD1-CD1 3.4Å; F149-W174 VanDerWaalsContact CD1-CD1 3.4Å; F149-W174 AromaticContact CD1-CD2 3.72Å; F149-W174 HydrophobicContact CD1-CD2 3.72Å; F149-W174 AromaticContact CD1-CE2 3.65Å; F149-W174 AromaticContact CD1-CG 3.51Å; F149-W174 HydrophobicContact CD1-CG 3.51Å; F149-W174 HydrophobicContact CD1-CZ2 4.39Å; F149-W174 AromaticContact CD1-NE1 3.47Å; F149-W174 HydrophobicContact CE1-CB 4.18Å; F149-W174 AromaticContact CE1-CD1 3.23Å; F149-W174 HydrophobicContact CE1-CD2 4.33Å; F149-W174 AromaticContact CE1-CG 3.66Å; F149-W174 HydrophobicContact CE1-CG 3.66Å; F149-W174 AromaticContact CE1-NE1 3.61Å; I152-W174 HydrophobicContact CD1-CB 4.34Å; I152-W174 HydrophobicContact CG2-CB 4.2Å; I152-W174 HydrophobicContact CG2-CE3 4.33Å; V153-W174 HydrophobicContact CG2-CE3 4.33Å; V153-W174 HydrophobicContact CG2-CH2 4.02Å; V153-W174 HydrophobicContact CG2-CZ3 3.46Å; V153-W174 VanDerWaalsContact CG2-CZ3 3.46Å; M170-W174 PolarHBondContact O-N 3.02Å; M170-W174 VanDerWaalsContact O-N 3.13Å; V171-W174 CarbonylContact O-C 3.5Å; V171-W174 WeakPolarHBondContact O-CB 3.33Å; V171-W174 PolarHBondContact O-N 3.49Å; A172-W174 VanDerWaalsContact C-N 3.33Å; W174-M177 HydrophobicContact CE3-SD 3.9Å; W174-M177 HydrophobicContact CH2-SD 4.37Å; W174-M177 HydrophobicContact CZ3-SD 3.56Å; W174-M177 VanDerWaalsContact CZ3-SD 3.56Å; W174-M177 PolarHBondContact O-N 3.19Å; W174-S178 WeakPolarHBondContact O-CB 3.36Å; W174-S178 PolarHBondContact O-N 2.98Å
175W93.1Very high92.6Very high123 Ų12369.8 Ų69.847%0.46637%0.37SS..Hα-helixtrans-60.8-46.1171.3-76.2-13.2000111.6L158 V171 A172 V173 M177 S178 V179L158-W175 HydrophobicContact CD1-CZ2 3.85Å; V171-W175 HydrophobicContact CG1-CD2 4.13Å; V171-W175 HydrophobicContact CG1-CG 4.47Å; V171-W175 HydrophobicContact CG1-CZ2 4.03Å; V171-W175 PolarHBondContact O-N 3.26Å; A172-W175 PolarHBondContact O-N 3.17Å; V173-W175 PolarHBondContact O-N 3.22Å; W175-M177 VanDerWaalsContact C-N 3.32Å; W175-M177 PolarHBondContact O-N 3.45Å; W175-S178 PolarHBondContact O-N 3.45Å; W175-V179 WeakPolarHBondContact O-CG2 3.38Å; W175-V179 PolarHBondContact O-N 3.26Å
176L94.7Very high92.7Very high126 Ų12666.7 Ų66.766%0.6636%0.359SS*.Hα-helixtrans-64.2-38.6177.9-168.5137.1000111.9A172 V173 T180A172-L176 PolarHBondContact O-N 2.94Å; A172-L176 VanDerWaalsContact O-N 3.08Å; V173-L176 PolarHBondContact O-N 2.93Å; L176-T180 WeakPolarHBondContact O-CG2 3.44Å; L176-T180 PolarHBondContact O-N 3.44Å; L176-T180 PolarHBondContact O-OG1 3.4Å
177M93.7Very high92.6Very high52 Ų5264.3 Ų64.326%0.25635%0.351SS..Hα-helixtrans-65.2-44.8174-176.5-85.417600111.9L114 V173 W174 W175 V179 T180 L181L114-M177 HydrophobicContact CD1-CE 4.1Å; V173-M177 PolarHBondContact O-N 3.25Å; W174-M177 HydrophobicContact CE3-SD 3.9Å; W174-M177 HydrophobicContact CH2-SD 4.37Å; W174-M177 HydrophobicContact CZ3-SD 3.56Å; W174-M177 VanDerWaalsContact CZ3-SD 3.56Å; W174-M177 PolarHBondContact O-N 3.19Å; W175-M177 VanDerWaalsContact C-N 3.32Å; W175-M177 PolarHBondContact O-N 3.45Å; M177-V179 PolarHBondContact O-N 2.98Å; M177-T180 WeakPolarHBondContact CA-OG1 3.24Å; M177-T180 PolarHBondContact O-N 3.39Å; M177-T180 PolarHBondContact O-OG1 3.41Å; M177-L181 HydrophobicContact CE-CB 4.32Å; M177-L181 HydrophobicContact CE-CD1 4.3Å; M177-L181 HydrophobicContact CE-CD2 4.06Å; M177-L181 HydrophobicContact CE-CG 4.47Å; M177-L181 WeakPolarHBondContact O-CB 3.27Å; M177-L181 PolarHBondContact O-N 2.92Å; M177-L181 HydrophobicContact SD-CB 4.42Å
178S94.4Very high92.5Very high6 Ų669.2 Ų69.24%0.04237%0.374CS..Hα-helixtrans-62.9-43.2179.7175.80000112.4I152 W174 W175 T180 L181 F182I152-S178 WeakPolarHBondContact O-CB 3.37Å; I152-S178 PolarHBondContact O-OG 2.93Å; W174-S178 WeakPolarHBondContact O-CB 3.36Å; W174-S178 PolarHBondContact O-N 2.98Å; W175-S178 PolarHBondContact O-N 3.45Å; S178-T180 VanDerWaalsContact C-N 3.34Å; S178-T180 PolarHBondContact O-N 3.02Å; S178-L181 PolarHBondContact O-N 3.25Å; S178-F182 WeakPolarHBondContact O-CB 3.49Å; S178-F182 PolarHBondContact O-N 3.49Å
179V95.1Very high92.1Very high92 Ų9263.9 Ų63.956%0.55836%0.355SS*.Hα-helixtrans-61.1-43.7176.7171.40000111.1W175 M177 A183W175-V179 WeakPolarHBondContact O-CG2 3.38Å; W175-V179 PolarHBondContact O-N 3.26Å; M177-V179 PolarHBondContact O-N 2.98Å; V179-A183 WeakPolarHBondContact O-CB 3.27Å; V179-A183 PolarHBondContact O-N 2.98Å
180T94.6Very high91.6Very high73 Ų7365 Ų6545%0.44836%0.361SS..Hα-helixtrans-69-41.1178.551.90000112.2L176 M177 S178 F182 A183 L184L176-T180 WeakPolarHBondContact O-CG2 3.44Å; L176-T180 PolarHBondContact O-N 3.44Å; L176-T180 PolarHBondContact O-OG1 3.4Å; M177-T180 WeakPolarHBondContact CA-OG1 3.24Å; M177-T180 PolarHBondContact O-N 3.39Å; M177-T180 PolarHBondContact O-OG1 3.41Å; S178-T180 VanDerWaalsContact C-N 3.34Å; S178-T180 PolarHBondContact O-N 3.02Å; T180-F182 PolarHBondContact O-N 3.39Å; T180-A183 PolarHBondContact O-N 2.87Å; T180-L184 WeakPolarHBondContact O-CG 3.38Å; T180-L184 PolarHBondContact O-N 3.42Å
181L93.2Very high91Very high34 Ų3468 Ų6818%0.17838%0.376CS..Hα-helixtrans-60.7-45.2176.3-174.573000111.8F106 L114 V153 M177 S178 L184 F185F106-L181 HydrophobicContact CE2-CD1 4.32Å; F106-L181 HydrophobicContact CZ-CD1 4.01Å; L114-L181 HydrophobicContact CD1-CD2 3.71Å; L114-L181 HydrophobicContact CD2-CD2 3.92Å; L114-L181 HydrophobicContact CG-CD2 4.5Å; V153-L181 HydrophobicContact CG1-CD2 4.48Å; M177-L181 HydrophobicContact CE-CB 4.32Å; M177-L181 HydrophobicContact CE-CD1 4.3Å; M177-L181 HydrophobicContact CE-CD2 4.06Å; M177-L181 HydrophobicContact CE-CG 4.47Å; M177-L181 WeakPolarHBondContact O-CB 3.27Å; M177-L181 PolarHBondContact O-N 2.92Å; M177-L181 HydrophobicContact SD-CB 4.42Å; S178-L181 PolarHBondContact O-N 3.25Å; L181-L184 PolarHBondContact O-N 2.96Å; L181-F185 WeakPolarHBondContact O-CB 3.46Å; L181-F185 PolarHBondContact O-N 3.43Å
182F92.4Very high90.2Very high102 Ų10270.3 Ų70.345%0.44740%0.396SS..Hα-helixtrans-65.8-40.1177.6178.6-99000112.5S178 T180 L184 F185 S186S178-F182 WeakPolarHBondContact O-CB 3.49Å; S178-F182 PolarHBondContact O-N 3.49Å; T180-F182 PolarHBondContact O-N 3.39Å; F182-L184 VanDerWaalsContact C-N 3.31Å; F182-L184 PolarHBondContact O-N 3.3Å; F182-F185 PolarHBondContact O-N 3.36Å; F182-S186 VanDerWaalsContact O-CB 3.32Å; F182-S186 WeakPolarHBondContact O-CB 3.4Å; F182-S186 PolarHBondContact O-N 3.32Å
183A94.1Very high89.3Confident61 Ų6171.5 Ų71.550%0.50440%0.396SS..Hα-helixtrans-59.7-42.6175.800000111.6V179 T180 G187V179-A183 WeakPolarHBondContact O-CB 3.27Å; V179-A183 PolarHBondContact O-N 2.98Å; T180-A183 PolarHBondContact O-N 2.87Å; A183-G187 PolarHBondContact O-N 3.05Å
184L92.3Very high88.2Confident103 Ų10371.4 Ų71.454%0.53940%0.399SS..Hα-helixtrans-66.6-44.2175.5-70.2172.3000112.4T180 L181 F182 G187 H188T180-L184 WeakPolarHBondContact O-CG 3.38Å; T180-L184 PolarHBondContact O-N 3.42Å; L181-L184 PolarHBondContact O-N 2.96Å; F182-L184 VanDerWaalsContact C-N 3.31Å; F182-L184 PolarHBondContact O-N 3.3Å; L184-G187 PolarHBondContact O-N 3.49Å; L184-H188 PolarHBondContact O-CD2 2.87Å; L184-H188 PolarHBondContact O-N 2.92Å
185F90.5Very high86.8Confident51 Ų5173.7 Ų73.722%0.22442%0.417CS..Hα-helixtrans-59.6-49.2177.5177.9-95.4000111.2V105 F106 W111 L181 F182 G187 H188 M189V105-F185 HydrophobicContact CB-CD2 3.98Å; V105-F185 HydrophobicContact CB-CE2 3.85Å; V105-F185 HydrophobicContact CG1-CD2 3.65Å; V105-F185 HydrophobicContact CG1-CE2 4.02Å; V105-F185 HydrophobicContact CG1-CG 4.44Å; V105-F185 HydrophobicContact CG2-CD2 4.18Å; V105-F185 HydrophobicContact CG2-CE2 3.69Å; V105-F185 HydrophobicContact CG2-CZ 4.28Å; F106-F185 HydrophobicContact CD2-CD2 4.15Å; F106-F185 HydrophobicContact CE2-CB 4.12Å; F106-F185 AromaticContact CE2-CD2 3.7Å; F106-F185 HydrophobicContact CE2-CD2 3.7Å; F106-F185 HydrophobicContact CE2-CG 4.38Å; F106-F185 HydrophobicContact CZ-CB 4.15Å; F106-F185 HydrophobicContact CZ-CD2 4.36Å; W111-F185 HydrophobicContact CH2-CE2 4.49Å; W111-F185 HydrophobicContact CZ2-CE2 4.44Å; L181-F185 WeakPolarHBondContact O-CB 3.46Å; L181-F185 PolarHBondContact O-N 3.43Å; F182-F185 PolarHBondContact O-N 3.36Å; F185-G187 PolarHBondContact O-N 2.92Å; F185-H188 PolarHBondContact O-N 3.06Å; F185-M189 HydrophobicContact CD1-CG 4.19Å; F185-M189 HydrophobicContact CE1-CG 3.77Å; F185-M189 HydrophobicContact CE2-CG 4.25Å; F185-M189 HydrophobicContact CZ-CG 3.81Å; F185-M189 HydrophobicContact CZ-SD 4.2Å; F185-M189 WeakPolarHBondContact O-CB 3.46Å; F185-M189 VanDerWaalsContact O-CG 3.31Å; F185-M189 WeakPolarHBondContact O-CG 3.44Å; F185-M189 PolarHBondContact O-N 2.85Å
186S89.9Confident85.4Confident63 Ų6372.6 Ų72.644%0.44142%0.42SS..Hα-helixtrans-61.3-44.3178-175.80000111.9F182 M189 L190F182-S186 VanDerWaalsContact O-CB 3.32Å; F182-S186 WeakPolarHBondContact O-CB 3.4Å; F182-S186 PolarHBondContact O-N 3.32Å; S186-M189 PolarHBondContact O-N 3.04Å; S186-L190 PolarHBondContact O-N 3.29Å
187G89.8Confident83.8Confident34 Ų3470.1 Ų70.135%0.35141%0.41SS..Hα-helixtrans-62.4-44.9177.700000113.3A183 L184 F185 L190 I191A183-G187 PolarHBondContact O-N 3.05Å; L184-G187 PolarHBondContact O-N 3.49Å; F185-G187 PolarHBondContact O-N 2.92Å; G187-L190 WeakPolarHBondContact O-CB 3.5Å; G187-L190 PolarHBondContact O-N 3.2Å; G187-I191 WeakPolarHBondContact O-CG1 3.42Å; G187-I191 PolarHBondContact O-N 3.29Å
188H86.4Confident82.5Confident102 Ų10270.5 Ų70.547%0.47242%0.415SS..Hα-helixtrans-69.8-37.5177.4-84.9-66.3000113V105 L184 F185 L190 I191 A192V105-H188 HydrophobicContact CG1-CB 3.68Å; L184-H188 PolarHBondContact O-CD2 2.87Å; L184-H188 PolarHBondContact O-N 2.92Å; F185-H188 PolarHBondContact O-N 3.06Å; H188-L190 VanDerWaalsContact C-N 3.3Å; H188-L190 PolarHBondContact O-N 3.47Å; H188-I191 PolarHBondContact O-N 3.36Å; H188-A192 PolarHBondContact O-N 3Å
189M82.1Confident81.4Confident26 Ų2677 Ų7713%0.12844%0.439CS..Hα-helixtrans-56.9-44.9172.1-82.5-65.7-60.900111.6I101 L102 V105 F185 S186 I191 A192 L193I101-M189 HydrophobicContact CG2-CE 3.99Å; L102-M189 HydrophobicContact CD2-CE 4.28Å; V105-M189 HydrophobicContact CG2-CG 3.59Å; V105-M189 HydrophobicContact CG2-SD 3.14Å; V105-M189 WeakPolarHBondContact CG2-SD 3.32Å; F185-M189 HydrophobicContact CD1-CG 4.19Å; F185-M189 HydrophobicContact CE1-CG 3.77Å; F185-M189 HydrophobicContact CE2-CG 4.25Å; F185-M189 HydrophobicContact CZ-CG 3.81Å; F185-M189 HydrophobicContact CZ-SD 4.2Å; F185-M189 WeakPolarHBondContact O-CB 3.46Å; F185-M189 VanDerWaalsContact O-CG 3.31Å; F185-M189 WeakPolarHBondContact O-CG 3.44Å; F185-M189 PolarHBondContact O-N 2.85Å; S186-M189 PolarHBondContact O-N 3.04Å; M189-I191 VanDerWaalsContact C-N 3.32Å; M189-I191 PolarHBondContact O-N 3.44Å; M189-A192 PolarHBondContact O-N 2.74Å; M189-L193 HydrophobicContact CE-CD1 4.1Å; M189-L193 HydrophobicContact CE-CG 4.41Å; M189-L193 WeakPolarHBondContact O-CB 3.29Å; M189-L193 WeakPolarHBondContact O-CG 3.26Å; M189-L193 PolarHBondContact O-N 2.77Å
190L82.2Confident80.8Confident125 Ų12575.3 Ų75.365%0.65442%0.423SS*.Hα-helixtrans-59.5-42.5177.9-173.278.3000112S186 G187 H188 L193 S194S186-L190 PolarHBondContact O-N 3.29Å; G187-L190 WeakPolarHBondContact O-CB 3.5Å; G187-L190 PolarHBondContact O-N 3.2Å; H188-L190 VanDerWaalsContact C-N 3.3Å; H188-L190 PolarHBondContact O-N 3.47Å; L190-L193 PolarHBondContact O-N 3.11Å; L190-S194 WeakPolarHBondContact O-CB 3.48Å; L190-S194 PolarHBondContact O-N 2.82Å; L190-S194 PolarHBondContact O-OG 3.01Å
191I80.6Confident80.3Confident101 Ų10174.6 Ų74.652%0.51842%0.419SS..Hα-helixtrans-65.5-44.2178-65.5168000110.7G187 H188 M189 L193 S194 S195G187-I191 WeakPolarHBondContact O-CG1 3.42Å; G187-I191 PolarHBondContact O-N 3.29Å; H188-I191 PolarHBondContact O-N 3.36Å; M189-I191 VanDerWaalsContact C-N 3.32Å; M189-I191 PolarHBondContact O-N 3.44Å; I191-L193 VanDerWaalsContact C-N 3.33Å; I191-L193 PolarHBondContact O-N 3.3Å; I191-S194 WeakPolarHBondContact CA-OG 3.45Å; I191-S194 PolarHBondContact O-N 3.44Å; I191-S194 PolarHBondContact O-OG 3.08Å; I191-S195 WeakPolarHBondContact O-CB 3.43Å; I191-S195 PolarHBondContact O-N 3Å; I191-S195 VanDerWaalsContact O-N 3.13Å; I191-S195 PolarHBondContact O-OG 2.85Å
192A75.7Confident80.2Confident55 Ų5573 Ų7346%0.45541%0.411SS..Hα-helixtrans-62.8-39.7178.500000112.1H188 M189H188-A192 PolarHBondContact O-N 3Å; M189-A192 PolarHBondContact O-N 2.74Å
193L72.9Confident80Confident70 Ų7073.7 Ų73.737%0.36641%0.411SS..Hα-helixtrans-77.1-24.9179.8-69.6176.7000113.9I101 M189 L190 I191 L366I101-L193 HydrophobicContact CG2-CD2 4.05Å; M189-L193 HydrophobicContact CE-CD1 4.1Å; M189-L193 HydrophobicContact CE-CG 4.41Å; M189-L193 WeakPolarHBondContact O-CB 3.29Å; M189-L193 WeakPolarHBondContact O-CG 3.26Å; M189-L193 PolarHBondContact O-N 2.77Å; L190-L193 PolarHBondContact O-N 3.11Å; I191-L193 VanDerWaalsContact C-N 3.33Å; I191-L193 PolarHBondContact O-N 3.3Å; L193-L366 HydrophobicContact CD1-CD1 4.29Å; L193-L366 HydrophobicContact CD1-CD2 4.44Å; L193-L366 HydrophobicContact CD2-CD1 3.71Å; L193-L366 HydrophobicContact CG-CD1 4.44Å
194S70.8Confident79.9Confident94 Ų9473.7 Ų73.766%0.65741%0.405SS*.Hα-helixtrans-89.2-16.4179.154.10000113.6L190 I191L190-S194 WeakPolarHBondContact O-CB 3.48Å; L190-S194 PolarHBondContact O-N 2.82Å; L190-S194 PolarHBondContact O-OG 3.01Å; I191-S194 WeakPolarHBondContact CA-OG 3.45Å; I191-S194 PolarHBondContact O-N 3.44Å; I191-S194 PolarHBondContact O-OG 3.08Å
195S64.6Low79.8Confident55 Ų5569.7 Ų69.739%0.38538%0.384SS..  trans-101.296.5-179.256.40000111.3I191 T197I191-S195 WeakPolarHBondContact O-CB 3.43Å; I191-S195 PolarHBondContact O-N 3Å; I191-S195 VanDerWaalsContact O-N 3.13Å; I191-S195 PolarHBondContact O-OG 2.85Å; S195-T197 PolarHBondContact O-N 3.14Å
196D63.2Low79.9Confident100 Ų10072.5 Ų72.554%0.53540%0.398SS..  trans-66.897.7163.3-78.2-26.2000108.8V93 V198V93-D196 HydrophobicContact CG1-CB 4.11Å; D196-V198 PolarHBondContact O-N 2.77Å
197T60.7Low80.1Confident74 Ų7473.2 Ų73.245%0.45439%0.394SS..  trans-81102.6178.160.50000110.5S195 R199S195-T197 PolarHBondContact O-N 3.14Å; T197-R199 PolarHBondContact O-N 2.88Å
198V66.5Low80.2Confident60 Ų6071.6 Ų71.636%0.36438%0.378SS..  trans-73108.8169.5-175.90000108.6P91 D196 Y200P91-V198 HydrophobicContact CB-CG1 4.49Å; P91-V198 HydrophobicContact CG-CG1 3.41Å; P91-V198 VanDerWaalsContact CG-CG1 3.41Å; D196-V198 PolarHBondContact O-N 2.77Å; V198-Y200 HydrophobicContact CG1-CE2 4.09Å
199R72.6Confident80.6Confident142 Ų14266.9 Ų66.954%0.53636%0.356SS..  trans-87.5115.2175-69.5-170.6-177.8-179.33.8110.4P91 T197P91-R199 VanDerWaalsContact CB-O 3.29Å; P91-R199 WeakPolarHBondContact CB-O 3.44Å; T197-R199 PolarHBondContact O-N 2.88Å
200Y82.2Confident81.1Confident57 Ų5768.7 Ų68.722%0.22437%0.366CS..  trans-78.3148.2172-69.7-93.1000109.6I88 V198 F202 Y203 T292 P295I88-Y200 HydrophobicContact CD1-CD1 3.78Å; I88-Y200 HydrophobicContact CD1-CE1 4.34Å; V198-Y200 HydrophobicContact CG1-CE2 4.09Å; Y200-F202 WeakPolarHBondContact CB-O 3.36Å; Y200-F202 PolarHBondContact O-N 2.82Å; Y200-Y203 HydrophobicContact CD2-CE1 4.06Å; Y200-Y203 PolarHBondContact N-OH 2.86Å; Y200-T292 HydrophobicContact CE1-CG2 3.69Å; Y200-P295 HydrophobicContact CD1-CG 4.47Å; Y200-P295 HydrophobicContact CD2-CG 4.11Å; Y200-P295 HydrophobicContact CE2-CG 4.47Å; Y200-P295 HydrophobicContact CG-CG 4.13Å
201P84.6Confident81.6Confident57 Ų5764.3 Ų64.337%0.3734%0.343SS..SBendtrans-64.5-20.5177.124-32.1000113.1I88 L211I88-P201 HydrophobicContact CD1-CG 3.94Å; P201-L211 HydrophobicContact CB-CD1 4.23Å
202F89.9Confident82.2Confident0 Ų059.5 Ų59.50%032%0.319CS..  trans-154.8151.7176.455-88.3000110V86 I88 Y200 E207 L208 L211 I273 A294 I296V86-F202 HydrophobicContact CG1-CE2 4.3Å; V86-F202 HydrophobicContact CG1-CZ 3.87Å; I88-F202 HydrophobicContact CG2-CE1 4Å; I88-F202 HydrophobicContact CG2-CZ 3.83Å; Y200-F202 WeakPolarHBondContact CB-O 3.36Å; Y200-F202 PolarHBondContact O-N 2.82Å; F202-E207 VanDerWaalsContact CA-OE2 3.27Å; F202-E207 WeakPolarHBondContact CA-OE2 3.37Å; F202-E207 HydrophobicContact CB-CB 3.63Å; F202-L208 HydrophobicContact CD1-CD1 4.35Å; F202-L208 HydrophobicContact CD2-CB 4.02Å; F202-L208 HydrophobicContact CE1-CD1 3.92Å; F202-L208 HydrophobicContact CE2-CB 4.29Å; F202-L208 HydrophobicContact CE2-CD1 4.12Å; F202-L208 HydrophobicContact CG-CB 4.27Å; F202-L208 HydrophobicContact CZ-CD1 3.8Å; F202-L211 HydrophobicContact CB-CD1 3.88Å; F202-L211 HydrophobicContact CD1-CD1 3.41Å; F202-L211 VanDerWaalsContact CD1-CD1 3.41Å; F202-L211 HydrophobicContact CE1-CD1 4.35Å; F202-L211 HydrophobicContact CG-CD1 4.04Å; F202-I273 HydrophobicContact CE1-CD1 3.92Å; F202-I273 HydrophobicContact CZ-CD1 4.39Å; F202-A294 HydrophobicContact CE2-CB 3.6Å; F202-A294 HydrophobicContact CZ-CB 3.78Å; F202-I296 HydrophobicContact CD2-CD1 4.13Å; F202-I296 HydrophobicContact CD2-CG2 4.39Å; F202-I296 HydrophobicContact CE2-CD1 3.53Å; F202-I296 HydrophobicContact CE2-CG1 4.04Å
203Y87.7Confident83Confident117 Ų11762.5 Ų62.546%0.45932%0.318SS..SBendtrans-118.8-15.7173.8-64.6-89.2000112.2Y200 E207 P295 I296Y200-Y203 HydrophobicContact CD2-CE1 4.06Å; Y200-Y203 PolarHBondContact N-OH 2.86Å; Y203-E207 PolarHBondContact N-OE2 3.3Å; Y203-P295 HydrophobicContact CD1-CG 3.84Å; Y203-P295 HydrophobicContact CE1-CG 4.29Å; Y203-I296 WeakPolarHBondContact O-CG2 3.5Å
204T92Very high83.9Confident61 Ų6166.9 Ų66.937%0.37433%0.331SS..SBendtrans-122.5159.3-178.666.50000111.6E206 E207 L208T204-E206 VanDerWaalsContact C-N 3.25Å; T204-E206 PolarHBondContact O-N 2.93Å; T204-E207 PolarHBondContact N-OE2 3.43Å; T204-E207 PolarHBondContact O-N 3.07Å; T204-E207 VanDerWaalsContact OG1-CG 3.28Å; T204-E207 WeakPolarHBondContact OG1-CG 3.18Å; T204-E207 PolarHBondContact OG1-N 3.39Å; T204-L208 PolarHBondContact O-N 3.42Å; T204-L208 VanDerWaalsContact O-N 3.11Å
205L91.4Very high84.7Confident20 Ų2064.4 Ų64.411%0.10531%0.314CS..Hα-helixtrans-65.1-30.3173.5172.758.7000111.9L208 V209 S239 L240 L243 L298L205-L208 HydrophobicContact CD1-CD2 3.97Å; L205-L208 WeakPolarHBondContact O-CB 3.21Å; L205-L208 PolarHBondContact O-N 3.06Å; L205-V209 HydrophobicContact CD1-CG2 4.25Å; L205-V209 VanDerWaalsContact O-CG2 3.27Å; L205-V209 WeakPolarHBondContact O-CG2 3.48Å; L205-V209 PolarHBondContact O-N 3.22Å; L205-S239 WeakPolarHBondContact CD2-OG 3.48Å; L205-L240 HydrophobicContact CD1-CD2 4.14Å; L205-L240 HydrophobicContact CD2-CD2 3.77Å; L205-L240 HydrophobicContact CD2-CG 3.75Å; L205-L243 HydrophobicContact CD1-CD2 4.38Å; L205-L298 HydrophobicContact CB-CD2 4.37Å; L205-L298 HydrophobicContact CD1-CD2 3.75Å; L205-L298 HydrophobicContact CD2-CD2 4.1Å; L205-L298 HydrophobicContact CG-CD2 4.28Å
206E92.6Very high85.9Confident109 Ų10963.9 Ų63.951%0.50932%0.317SS..Hα-helixtrans-67.6-45.6177.3-63.4-165.8145.100111.5T204 L208 V209 D210 R242T204-E206 VanDerWaalsContact C-N 3.25Å; T204-E206 PolarHBondContact O-N 2.93Å; E206-L208 VanDerWaalsContact C-N 3.29Å; E206-L208 PolarHBondContact O-N 2.95Å; E206-V209 WeakPolarHBondContact O-CB 3.46Å; E206-V209 PolarHBondContact O-N 3.12Å; E206-V209 VanDerWaalsContact O-N 3.09Å; E206-D210 PolarHBondContact O-N 3.13Å; E206-R242 IonicContact OE1-NH2 2.85Å
207E93.1Very high87.3Confident79 Ų7961 Ų6137%0.36930%0.298SS..Hα-helixtrans-59.5-40.7173.2-72.9167.1-167.800111.7F202 Y203 T204 V209 D210 L211F202-E207 VanDerWaalsContact CA-OE2 3.27Å; F202-E207 WeakPolarHBondContact CA-OE2 3.37Å; F202-E207 HydrophobicContact CB-CB 3.63Å; Y203-E207 PolarHBondContact N-OE2 3.3Å; T204-E207 PolarHBondContact N-OE2 3.43Å; T204-E207 PolarHBondContact O-N 3.07Å; T204-E207 VanDerWaalsContact OG1-CG 3.28Å; T204-E207 WeakPolarHBondContact OG1-CG 3.18Å; T204-E207 PolarHBondContact OG1-N 3.39Å; E207-V209 VanDerWaalsContact C-N 3.32Å; E207-V209 PolarHBondContact O-N 2.89Å; E207-D210 PolarHBondContact O-N 3.28Å; E207-L211 WeakPolarHBondContact O-CB 3.47Å; E207-L211 VanDerWaalsContact O-CG 3.27Å; E207-L211 WeakPolarHBondContact O-CG 3.5Å; E207-L211 PolarHBondContact O-N 3.39Å
208L93.5Very high88.9Confident0 Ų059 Ų590%029%0.287CS..Hα-helixtrans-57.3-46173.5172.865.4000111.6F202 T204 L205 E206 L211 V212 I273 I296 L298F202-L208 HydrophobicContact CD1-CD1 4.35Å; F202-L208 HydrophobicContact CD2-CB 4.02Å; F202-L208 HydrophobicContact CE1-CD1 3.92Å; F202-L208 HydrophobicContact CE2-CB 4.29Å; F202-L208 HydrophobicContact CE2-CD1 4.12Å; F202-L208 HydrophobicContact CG-CB 4.27Å; F202-L208 HydrophobicContact CZ-CD1 3.8Å; T204-L208 PolarHBondContact O-N 3.42Å; T204-L208 VanDerWaalsContact O-N 3.11Å; L205-L208 HydrophobicContact CD1-CD2 3.97Å; L205-L208 WeakPolarHBondContact O-CB 3.21Å; L205-L208 PolarHBondContact O-N 3.06Å; E206-L208 VanDerWaalsContact C-N 3.29Å; E206-L208 PolarHBondContact O-N 2.95Å; L208-L211 PolarHBondContact O-N 3.32Å; L208-V212 WeakPolarHBondContact O-CG2 2.95Å; L208-V212 PolarHBondContact O-N 3.08Å; L208-V212 VanDerWaalsContact O-N 3.07Å; L208-I273 HydrophobicContact CD1-CD1 3.27Å; L208-I273 HydrophobicContact CD1-CG2 4.2Å; L208-I296 HydrophobicContact CD2-CD1 3.86Å; L208-L298 HydrophobicContact CD2-CD1 4.39Å
209V92.9Very high90.2Very high2 Ų256.2 Ų56.21%0.01227%0.269CS..Hα-helixtrans-63.1-44.1178.6171.90000110.9L205 E206 E207 L211 V212 R213 S239 R242 L243L205-V209 HydrophobicContact CD1-CG2 4.25Å; L205-V209 VanDerWaalsContact O-CG2 3.27Å; L205-V209 WeakPolarHBondContact O-CG2 3.48Å; L205-V209 PolarHBondContact O-N 3.22Å; E206-V209 WeakPolarHBondContact O-CB 3.46Å; E206-V209 PolarHBondContact O-N 3.12Å; E206-V209 VanDerWaalsContact O-N 3.09Å; E207-V209 VanDerWaalsContact C-N 3.32Å; E207-V209 PolarHBondContact O-N 2.89Å; V209-L211 VanDerWaalsContact C-N 3.32Å; V209-L211 PolarHBondContact O-N 3.21Å; V209-V212 PolarHBondContact O-N 3.26Å; V209-R213 WeakPolarHBondContact O-CB 2.78Å; V209-R213 PolarHBondContact O-N 3.31Å; V209-S239 VanDerWaalsContact CG2-O 3.31Å; V209-S239 WeakPolarHBondContact CG2-O 3.45Å; V209-R242 HydrophobicContact CG1-CB 3.85Å; V209-L243 HydrophobicContact CG2-CB 3.92Å; V209-L243 HydrophobicContact CG2-CD1 4.31Å
210D93.6Very high91.2Very high65 Ų6549.4 Ų49.435%0.34824%0.244SC..Hα-helixtrans-66.2-35.3179.8-74.1-20.3000111.9E206 E207 R213 Y214E206-D210 PolarHBondContact O-N 3.13Å; E207-D210 PolarHBondContact O-N 3.28Å; D210-R213 PolarHBondContact O-N 3.24Å; D210-Y214 HydrophobicContact CB-CD2 4.15Å; D210-Y214 HydrophobicContact CB-CE2 4.45Å; D210-Y214 WeakPolarHBondContact O-CB 3.19Å; D210-Y214 WeakPolarHBondContact O-CD2 3.44Å; D210-Y214 PolarHBondContact O-N 2.91Å
211L92.7Very high91.6Very high33 Ų3346.7 Ų46.717%0.17323%0.233CC..Hα-helixtrans-64.9-44.1172.8-72.4172.4000112.2P201 F202 E207 L208 V209 R213 S215 G216 Y217P201-L211 HydrophobicContact CB-CD1 4.23Å; F202-L211 HydrophobicContact CB-CD1 3.88Å; F202-L211 HydrophobicContact CD1-CD1 3.41Å; F202-L211 VanDerWaalsContact CD1-CD1 3.41Å; F202-L211 HydrophobicContact CE1-CD1 4.35Å; F202-L211 HydrophobicContact CG-CD1 4.04Å; E207-L211 WeakPolarHBondContact O-CB 3.47Å; E207-L211 VanDerWaalsContact O-CG 3.27Å; E207-L211 WeakPolarHBondContact O-CG 3.5Å; E207-L211 PolarHBondContact O-N 3.39Å; L208-L211 PolarHBondContact O-N 3.32Å; V209-L211 VanDerWaalsContact C-N 3.32Å; V209-L211 PolarHBondContact O-N 3.21Å; L211-R213 VanDerWaalsContact C-N 3.28Å; L211-R213 PolarHBondContact O-N 3.41Å; L211-S215 WeakPolarHBondContact CA-OG 3.44Å; L211-S215 WeakPolarHBondContact CD2-OG 3.34Å; L211-S215 PolarHBondContact O-N 2.92Å; L211-S215 PolarHBondContact O-OG 3.43Å; L211-G216 PolarHBondContact O-N 3.48Å; L211-Y217 HydrophobicContact CB-CD2 3.89Å; L211-Y217 HydrophobicContact CB-CE2 4.29Å; L211-Y217 HydrophobicContact CB-CG 4.32Å; L211-Y217 HydrophobicContact CD2-CD2 4.41Å; L211-Y217 HydrophobicContact CD2-CE2 4.03Å; L211-Y217 PolarHBondContact O-N 3.2Å
212V93.2Very high91.7Very high0 Ų046.1 Ų46.10%023%0.225CC..Hα-helixtrans-62.3-41174.7175.20000110.2L208 V209 V219 L243 E246 K252L208-V212 WeakPolarHBondContact O-CG2 2.95Å; L208-V212 PolarHBondContact O-N 3.08Å; L208-V212 VanDerWaalsContact O-N 3.07Å; V209-V212 PolarHBondContact O-N 3.26Å; V212-V219 HydrophobicContact CG1-CG2 4.43Å; V212-V219 HydrophobicContact CG2-CG2 3.82Å; V212-L243 HydrophobicContact CB-CD1 4.44Å; V212-L243 HydrophobicContact CG2-CD1 4.11Å; V212-E246 HydrophobicContact CG1-CB 3.73Å; V212-E246 HydrophobicContact CG1-CG 4.33Å; V212-K252 HydrophobicContact CG1-CB 4.25Å; V212-K252 HydrophobicContact CG1-CD 3.96Å; V212-K252 VanDerWaalsContact O-CD 3.24Å; V212-K252 WeakPolarHBondContact O-CD 3.2Å; V212-K252 WeakPolarHBondContact O-CE 3.26Å; V212-K252 PolarHBondContact O-NZ 3.31Å
213R91.9Very high90.6Very high117 Ų11750 Ų5044%0.44225%0.246SC..Hα-helixtrans-69.4-52.8-177.8-170.6169.4-174.6-169.50.2112.9V209 D210 L211 E246 K252V209-R213 WeakPolarHBondContact O-CB 2.78Å; V209-R213 PolarHBondContact O-N 3.31Å; D210-R213 PolarHBondContact O-N 3.24Å; L211-R213 VanDerWaalsContact C-N 3.28Å; L211-R213 PolarHBondContact O-N 3.41Å; R213-E246 HydrophobicContact CB-CG 4.37Å; R213-E246 IonicContact NE-OE1 3.63Å; R213-K252 PolarHBondContact O-NZ 3.28Å
214Y92.2Very high89.3Confident163 Ų16345.9 Ų45.964%0.63923%0.234SC*.Hα-helixtrans-104.8-34.1-166.2-60.1-64.4000114.6D210D210-Y214 HydrophobicContact CB-CD2 4.15Å; D210-Y214 HydrophobicContact CB-CE2 4.45Å; D210-Y214 WeakPolarHBondContact O-CB 3.19Å; D210-Y214 WeakPolarHBondContact O-CD2 3.44Å; D210-Y214 PolarHBondContact O-N 2.91Å
215S87.6Confident87.4Confident42 Ų4243.2 Ų43.229%0.29422%0.218SC..SBendtrans-99.14.9-173.462.10000114.4L211 Y217 K271L211-S215 WeakPolarHBondContact CA-OG 3.44Å; L211-S215 WeakPolarHBondContact CD2-OG 3.34Å; L211-S215 PolarHBondContact O-N 2.92Å; L211-S215 PolarHBondContact O-OG 3.43Å; S215-Y217 WeakPolarHBondContact OG-CD2 3.26Å; S215-Y217 WeakPolarHBondContact OG-CE2 3.44Å; S215-K271 PolarHBondContact O-NZ 3.01Å
216G89.3Confident85.6Confident43 Ų4344.6 Ų44.644%0.44323%0.227SC..  trans79.82517100000113.9L211L211-G216 PolarHBondContact O-N 3.48Å
217Y93.6Very high84.4Confident39 Ų3940.3 Ų40.315%0.15321%0.208CC..  trans-70.3145.2174.2-79-105000111.4L211 S215 K271 I273L211-Y217 HydrophobicContact CB-CD2 3.89Å; L211-Y217 HydrophobicContact CB-CE2 4.29Å; L211-Y217 HydrophobicContact CB-CG 4.32Å; L211-Y217 HydrophobicContact CD2-CD2 4.41Å; L211-Y217 HydrophobicContact CD2-CE2 4.03Å; L211-Y217 PolarHBondContact O-N 3.2Å; S215-Y217 WeakPolarHBondContact OG-CD2 3.26Å; S215-Y217 WeakPolarHBondContact OG-CE2 3.44Å; Y217-K271 VanDerWaalsContact CA-O 3.27Å; Y217-K271 WeakPolarHBondContact CA-O 3.43Å; Y217-K271 HydrophobicContact CD1-CB 4.21Å; Y217-K271 WeakPolarHBondContact CD1-O 3.33Å; Y217-K271 HydrophobicContact CE1-CB 4.38Å; Y217-K271 HydrophobicContact CE2-CG 4.41Å; Y217-K271 HydrophobicContact CG-CB 4.4Å; Y217-I273 HydrophobicContact CD1-CD1 3.57Å; Y217-I273 HydrophobicContact CD1-CG1 3.68Å; Y217-I273 HydrophobicContact CE1-CD1 4.29Å; Y217-I273 HydrophobicContact CE1-CG1 4.37Å; Y217-I273 HydrophobicContact CG-CD1 4.13Å
218T94.4Very high83.6Confident34 Ų3436.6 Ų36.621%0.20919%0.191CC..EExtended strand (participates in β ladder)trans-117.2132.6178.3-560000109.9V254 K271 M272 I273T218-V254 HydrophobicContact CG2-CG2 3.86Å; T218-K271 PolarHBondContact N-O 3.22Å; T218-M272 WeakPolarHBondContact O-CA 3.41Å; T218-I273 PolarHBondContact O-N 3.26Å
219V94.3Very high82.8Confident0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-88.3132179.5-177.90000109.8V212 T221 L243 M247 K252 W253 V254 I273 I275V212-V219 HydrophobicContact CG1-CG2 4.43Å; V212-V219 HydrophobicContact CG2-CG2 3.82Å; V219-T221 HydrophobicContact CG1-CG2 4.21Å; V219-L243 HydrophobicContact CG2-CD1 4.17Å; V219-M247 HydrophobicContact CB-CE 4.16Å; V219-M247 HydrophobicContact CB-CG 4Å; V219-M247 HydrophobicContact CB-SD 4.2Å; V219-M247 HydrophobicContact CG1-CE 3.69Å; V219-M247 HydrophobicContact CG1-CG 4.41Å; V219-M247 HydrophobicContact CG1-SD 3.95Å; V219-M247 HydrophobicContact CG2-CG 4Å; V219-M247 HydrophobicContact CG2-SD 4.32Å; V219-K252 PolarHBondContact N-O 3.48Å; V219-W253 CarbonylContact O-C 3.42Å; V219-W253 WeakPolarHBondContact O-CA 3.37Å; V219-V254 PolarHBondContact O-N 2.86Å; V219-I273 CarbonylContact C-O 3.59Å; V219-I273 WeakPolarHBondContact CA-O 3.39Å; V219-I275 HydrophobicContact CG1-CB 4.45Å; V219-I275 HydrophobicContact CG1-CD1 3.63Å; V219-I275 HydrophobicContact CG1-CG1 3.9Å
220I93.2Very high82.1Confident0 Ų038.8 Ų38.80%020%0.204CC..EExtended strand (participates in β ladder)trans-102.3138.7170.9-57.2167.8000107.8V254 V256 L265 V266 M272 I273 F274 I275I220-V254 CarbonylContact C-O 3.57Å; I220-V254 VanDerWaalsContact CA-O 3.25Å; I220-V254 WeakPolarHBondContact CA-O 3.38Å; I220-V254 HydrophobicContact CG1-CB 4.38Å; I220-V256 HydrophobicContact CG2-CB 4.33Å; I220-V256 HydrophobicContact CG2-CG1 3.65Å; I220-V256 HydrophobicContact CG2-CG2 3.75Å; I220-L265 HydrophobicContact CD1-CB 3.62Å; I220-L265 HydrophobicContact CD1-CD1 4.12Å; I220-V266 HydrophobicContact CD1-CG2 3.99Å; I220-M272 HydrophobicContact CD1-CB 3.8Å; I220-M272 HydrophobicContact CD1-CG 4.31Å; I220-M272 HydrophobicContact CD1-SD 3.88Å; I220-M272 HydrophobicContact CG1-CB 4.4Å; I220-M272 HydrophobicContact CG1-SD 4.45Å; I220-I273 PolarHBondContact N-O 3.44Å; I220-F274 HydrophobicContact CB-CB 4.12Å; I220-F274 HydrophobicContact CB-CD2 3.85Å; I220-F274 HydrophobicContact CB-CG 4.31Å; I220-F274 HydrophobicContact CG2-CD2 3.6Å; I220-F274 HydrophobicContact CG2-CE2 4.04Å; I220-F274 HydrophobicContact CG2-CG 4.25Å; I220-F274 WeakPolarHBondContact O-CD2 3.49Å; I220-I275 PolarHBondContact O-N 2.66Å
221T90.5Very high81.5Confident0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-134163.1164.876.80000110V219 T225 I229 M247 W253 V254 N255 V256V219-T221 HydrophobicContact CG1-CG2 4.21Å; T221-T225 WeakPolarHBondContact CB-OG1 3.46Å; T221-T225 PolarHBondContact OG1-OG1 2.64Å; T221-I229 HydrophobicContact CG2-CG1 4.37Å; T221-M247 HydrophobicContact CG2-CE 3.75Å; T221-W253 PolarHBondContact OG1-NE1 3.01Å; T221-V254 PolarHBondContact N-O 3.31Å; T221-N255 CarbonylContact O-C 3.57Å; T221-N255 WeakPolarHBondContact O-CA 3.44Å; T221-N255 PolarHBondContact O-OD1 3.11Å; T221-V256 WeakPolarHBondContact O-CG2 3.43Å; T221-V256 PolarHBondContact O-N 3.48Å
222K85.2Confident81.2Confident44 Ų4435.1 Ų35.119%0.19118%0.184CC..EExtended strand (participates in β ladder)trans-91.4151-176.9175.5-169.5167.8-154.20111.9S224 T225 N255 V256 Y259 F274K222-S224 WeakPolarHBondContact CE-OG 3.26Å; K222-S224 PolarHBondContact NZ-OG 3.17Å; K222-S224 PolarHBondContact O-N 3.24Å; K222-T225 HydrophobicContact CB-CG2 3.84Å; K222-T225 PolarHBondContact N-OG1 2.76Å; K222-T225 VanDerWaalsContact O-CA 3.28Å; K222-T225 WeakPolarHBondContact O-CA 3.49Å; K222-T225 WeakPolarHBondContact O-CB 3.21Å; K222-T225 WeakPolarHBondContact O-CG2 3.43Å; K222-T225 PolarHBondContact O-N 3.29Å; K222-T225 PolarHBondContact O-OG1 3.13Å; K222-N255 PolarHBondContact O-OD1 3.25Å; K222-V256 CarbonylContact C-O 3.48Å; K222-V256 VanDerWaalsContact C-O 3.29Å; K222-V256 WeakPolarHBondContact CA-O 3.27Å; K222-V256 HydrophobicContact CB-CG2 4.32Å; K222-V256 WeakPolarHBondContact CG-O 3.33Å; K222-Y259 HydrophobicContact CD-CD1 4.44Å; K222-Y259 HydrophobicContact CD-CD2 3.78Å; K222-Y259 HydrophobicContact CD-CE1 4.24Å; K222-Y259 HydrophobicContact CD-CE2 3.56Å; K222-Y259 HydrophobicContact CD-CG 4.21Å; K222-Y259 VanDerWaalsContact NZ-CE2 3.32Å; K222-F274 HydrophobicContact CB-CE2 4.27Å; K222-F274 HydrophobicContact CB-CZ 4.31Å
223N68.2Low80.7Confident83 Ų8340 Ų4044%0.44421%0.207SC..G310 helixtrans-60.2-27.3-171.5-139.411.2000114.5T225 N255 V256N223-T225 PolarHBondContact O-N 3.25Å; N223-N255 WeakPolarHBondContact CA-OD1 3.32Å; N223-N255 PolarHBondContact N-OD1 3.43Å; N223-N255 PolarHBondContact OD1-ND2 3.22Å; N223-V256 PolarHBondContact N-O 3.32Å
224S60.2Low80.1Confident30 Ų3040 Ų4021%0.2121%0.214CC..G310 helixtrans-74.30.1170.861.20000114.1K222 T227K222-S224 WeakPolarHBondContact CE-OG 3.26Å; K222-S224 PolarHBondContact NZ-OG 3.17Å; K222-S224 PolarHBondContact O-N 3.24Å; S224-T227 PolarHBondContact O-OG1 3.27Å; S224-T227 VanDerWaalsContact O-OG1 3.09Å
225T52.9Low79.7Confident5 Ų533.3 Ų33.33%0.03119%0.192CC..G310 helixtrans-9720-176.371.50000113.7T221 K222 N223 T227 T228 I229T221-T225 WeakPolarHBondContact CB-OG1 3.46Å; T221-T225 PolarHBondContact OG1-OG1 2.64Å; K222-T225 HydrophobicContact CB-CG2 3.84Å; K222-T225 PolarHBondContact N-OG1 2.76Å; K222-T225 VanDerWaalsContact O-CA 3.28Å; K222-T225 WeakPolarHBondContact O-CA 3.49Å; K222-T225 WeakPolarHBondContact O-CB 3.21Å; K222-T225 WeakPolarHBondContact O-CG2 3.43Å; K222-T225 PolarHBondContact O-N 3.29Å; K222-T225 PolarHBondContact O-OG1 3.13Å; N223-T225 PolarHBondContact O-N 3.25Å; T225-T227 CarbonylContact O-C 3.58Å; T225-T227 PolarHBondContact O-N 3.39Å; T225-T227 VanDerWaalsContact O-N 3.1Å; T225-T228 VanDerWaalsContact CB-OG1 3.3Å; T225-T228 WeakPolarHBondContact CB-OG1 3.27Å; T225-T228 VanDerWaalsContact CG2-OG1 3.3Å; T225-T228 WeakPolarHBondContact CG2-OG1 3.27Å; T225-T228 CarbonylContact O-C 3.5Å; T225-T228 PolarHBondContact O-N 3.17Å; T225-I229 PolarHBondContact O-N 3.34Å
226T53.5Low79.4Confident49 Ų4941.4 Ų41.430%0.30122%0.222SC..Hα-helixtrans-49.2-27.3150.236.90000110.5E38 S230E38-T226 VanDerWaalsContact CD-CB 3.49Å; E38-T226 VanDerWaalsContact CD-CG2 3.48Å; E38-T226 HydrophobicContact CG-CG2 4.3Å; E38-T226 WeakPolarHBondContact CG-OG1 3.25Å; E38-T226 VanDerWaalsContact OE1-CB 3.23Å; E38-T226 WeakPolarHBondContact OE1-CB 3.28Å; E38-T226 WeakPolarHBondContact OE1-CG2 3.36Å; E38-T226 PolarHBondContact OE1-OG1 3.18Å; T226-S230 WeakPolarHBondContact O-CB 3.39Å; T226-S230 PolarHBondContact O-N 3.49Å; T226-S230 PolarHBondContact O-OG 2.95Å
227T65.4Low79.3Confident19 Ų1944.5 Ų44.512%0.11723%0.225CC..Hα-helixtrans-57.7-64.3159.252.10000113.1S224 T225 I229 S230 L231S224-T227 PolarHBondContact O-OG1 3.27Å; S224-T227 VanDerWaalsContact O-OG1 3.09Å; T225-T227 CarbonylContact O-C 3.58Å; T225-T227 PolarHBondContact O-N 3.39Å; T225-T227 VanDerWaalsContact O-N 3.1Å; T227-I229 PolarHBondContact O-N 3.46Å; T227-S230 WeakPolarHBondContact CA-OG 3.5Å; T227-S230 CarbonylContact O-C 3.6Å; T227-S230 PolarHBondContact O-N 3.4Å; T227-S230 VanDerWaalsContact O-N 3.14Å; T227-S230 PolarHBondContact O-OG 3.39Å; T227-L231 WeakPolarHBondContact O-CB 3.15Å; T227-L231 WeakPolarHBondContact O-CG 3.42Å; T227-L231 PolarHBondContact O-N 3.07Å
228T76.8Confident79.1Confident1 Ų148.2 Ų48.21%0.00624%0.244CC..Hα-helixtrans-56.9-43.2-177.8-43.70000113.4H84 T225 L231 I232 I275 L299H84-T228 WeakPolarHBondContact CD2-CG2 3.41Å; H84-T228 PolarHBondContact CD2-OG1 2.02Å; H84-T228 PolarHBondContact NE2-OG1 3.09Å; T225-T228 VanDerWaalsContact CB-OG1 3.3Å; T225-T228 WeakPolarHBondContact CB-OG1 3.27Å; T225-T228 VanDerWaalsContact CG2-OG1 3.3Å; T225-T228 WeakPolarHBondContact CG2-OG1 3.27Å; T225-T228 CarbonylContact O-C 3.5Å; T225-T228 PolarHBondContact O-N 3.17Å; T228-L231 WeakPolarHBondContact O-CB 3.48Å; T228-L231 PolarHBondContact O-N 3.16Å; T228-I232 HydrophobicContact CG2-CD1 4.19Å; T228-I232 HydrophobicContact CG2-CG1 4.44Å; T228-I232 VanDerWaalsContact O-CG1 3.26Å; T228-I232 WeakPolarHBondContact O-CG1 3.45Å; T228-I232 PolarHBondContact O-N 2.67Å; T228-I275 HydrophobicContact CG2-CG2 4.17Å; T228-L299 HydrophobicContact CG2-CD1 3.97Å
229I78.2Confident78.9Confident27 Ų2746.7 Ų46.714%0.13824%0.235CC..Hα-helixtrans-67-41.9178.3-63.2168.8000110.8T221 T225 T227 L231 I232 Q233 M247 W253T221-I229 HydrophobicContact CG2-CG1 4.37Å; T225-I229 PolarHBondContact O-N 3.34Å; T227-I229 PolarHBondContact O-N 3.46Å; I229-L231 VanDerWaalsContact C-N 3.25Å; I229-L231 PolarHBondContact O-N 2.88Å; I229-I232 PolarHBondContact O-N 3.49Å; I229-Q233 WeakPolarHBondContact O-CB 3.49Å; I229-Q233 PolarHBondContact O-N 2.88Å; I229-M247 HydrophobicContact CG1-CE 4.36Å; I229-W253 HydrophobicContact CD1-CD2 4.15Å; I229-W253 HydrophobicContact CD1-CH2 3.59Å; I229-W253 HydrophobicContact CD1-CZ2 3.06Å; I229-W253 HydrophobicContact CD1-CZ3 4.31Å; I229-W253 HydrophobicContact CG1-CZ2 4.45Å
230S77.8Confident78.8Confident21 Ų2147 Ų4715%0.14724%0.237CC..Hα-helixtrans-63-35.1173.568.70000111.7R66 T226 T227 Q233 M234R66-S230 PolarHBondContact NH1-OG 3.29Å; T226-S230 WeakPolarHBondContact O-CB 3.39Å; T226-S230 PolarHBondContact O-N 3.49Å; T226-S230 PolarHBondContact O-OG 2.95Å; T227-S230 WeakPolarHBondContact CA-OG 3.5Å; T227-S230 CarbonylContact O-C 3.6Å; T227-S230 PolarHBondContact O-N 3.4Å; T227-S230 VanDerWaalsContact O-N 3.14Å; T227-S230 PolarHBondContact O-OG 3.39Å; S230-Q233 WeakPolarHBondContact O-CB 3.45Å; S230-Q233 PolarHBondContact O-N 2.87Å; S230-M234 WeakPolarHBondContact O-CB 3.24Å; S230-M234 WeakPolarHBondContact O-CG 3.34Å; S230-M234 PolarHBondContact O-N 3.42Å
231L81.3Confident78.6Confident19 Ų1954.6 Ų54.610%0.09927%0.265CS..Hα-helixtrans-67.6-45.1176.8-71.7164.1000111.1R66 T227 T228 I229 Q233 M234 A235 L299 L301R66-L231 HydrophobicContact CG-CD2 4.24Å; T227-L231 WeakPolarHBondContact O-CB 3.15Å; T227-L231 WeakPolarHBondContact O-CG 3.42Å; T227-L231 PolarHBondContact O-N 3.07Å; T228-L231 WeakPolarHBondContact O-CB 3.48Å; T228-L231 PolarHBondContact O-N 3.16Å; I229-L231 VanDerWaalsContact C-N 3.25Å; I229-L231 PolarHBondContact O-N 2.88Å; L231-Q233 VanDerWaalsContact C-N 3.28Å; L231-Q233 PolarHBondContact O-N 3.38Å; L231-M234 PolarHBondContact O-N 3.34Å; L231-A235 WeakPolarHBondContact O-CB 3.3Å; L231-A235 PolarHBondContact O-N 2.92Å; L231-L299 HydrophobicContact CB-CD1 3.96Å; L231-L299 HydrophobicContact CB-CD2 4.21Å; L231-L301 HydrophobicContact CD1-CD1 3.59Å; L231-L301 HydrophobicContact CD2-CD1 4.27Å; L231-L301 HydrophobicContact CD2-CD2 4.19Å
232I85.3Confident78.7Confident2 Ų258.1 Ų58.11%0.0128%0.278CS..Hα-helixtrans-63.2-38.9173.9-59.1169.5000109.8T228 I229 A235 L240 W244 M247 L299T228-I232 HydrophobicContact CG2-CD1 4.19Å; T228-I232 HydrophobicContact CG2-CG1 4.44Å; T228-I232 VanDerWaalsContact O-CG1 3.26Å; T228-I232 WeakPolarHBondContact O-CG1 3.45Å; T228-I232 PolarHBondContact O-N 2.67Å; I229-I232 PolarHBondContact O-N 3.49Å; I232-A235 WeakPolarHBondContact O-CB 3.31Å; I232-A235 PolarHBondContact O-N 3.29Å; I232-L240 HydrophobicContact CG2-CB 4.17Å; I232-L240 HydrophobicContact CG2-CD2 4.32Å; I232-L240 WeakPolarHBondContact CG2-O 3.38Å; I232-W244 HydrophobicContact CG2-CB 3.78Å; I232-M247 HydrophobicContact CD1-CE 4.34Å; I232-M247 HydrophobicContact CD1-SD 4.01Å; I232-L299 HydrophobicContact CG1-CD1 3.88Å
233Q82.6Confident79Confident102 Ų10256 Ų5648%0.47727%0.269SS..Hα-helixtrans-64-41.7177.2-171.1177-31.500112.8I229 S230 L231 A235 W244I229-Q233 WeakPolarHBondContact O-CB 3.49Å; I229-Q233 PolarHBondContact O-N 2.88Å; S230-Q233 WeakPolarHBondContact O-CB 3.45Å; S230-Q233 PolarHBondContact O-N 2.87Å; L231-Q233 VanDerWaalsContact C-N 3.28Å; L231-Q233 PolarHBondContact O-N 3.38Å; Q233-A235 VanDerWaalsContact C-N 3.29Å; Q233-W244 HydrophobicContact CB-CG 4.37Å; Q233-W244 HydrophobicContact CG-CD2 4.37Å; Q233-W244 HydrophobicContact CG-CZ2 3.78Å
234M80.1Confident80Confident118 Ų11854.1 Ų54.158%0.58126%0.256SS*.Hα-helixtrans-82.4-8.8-178.7-68.7174.1-174.600112.7S230 L231 F236S230-M234 WeakPolarHBondContact O-CB 3.24Å; S230-M234 WeakPolarHBondContact O-CG 3.34Å; S230-M234 PolarHBondContact O-N 3.42Å; L231-M234 PolarHBondContact O-N 3.34Å; M234-F236 PolarHBondContact O-N 3.24Å
235A83.5Confident81.5Confident22 Ų2259.4 Ų59.418%0.18227%0.271CS..  trans-64.7133.1-176.600000111.5L231 I232 Q233 Q237 L240L231-A235 WeakPolarHBondContact O-CB 3.3Å; L231-A235 PolarHBondContact O-N 2.92Å; I232-A235 WeakPolarHBondContact O-CB 3.31Å; I232-A235 PolarHBondContact O-N 3.29Å; Q233-A235 VanDerWaalsContact C-N 3.29Å; A235-Q237 VanDerWaalsContact C-N 3.32Å; A235-L240 HydrophobicContact CB-CB 3.69Å; A235-L240 HydrophobicContact CB-CD1 3.45Å; A235-L240 VanDerWaalsContact CB-CD1 3.45Å; A235-L240 HydrophobicContact CB-CG 4.21Å
236F81.6Confident83.3Confident212 Ų21259.8 Ų59.893%0.9327%0.273SS*.  trans-72-28.7176.1-175.1-101.3000112.5M234 E238M234-F236 PolarHBondContact O-N 3.24Å; F236-E238 PolarHBondContact O-N 3.24Å
237Q86.7Confident85.1Confident108 Ų10857.7 Ų57.751%0.50526%0.259SS..SBendtrans-65.3126.6-176.6-165-179.2-400111.1A235 S239 L240 R241A235-Q237 VanDerWaalsContact C-N 3.32Å; Q237-S239 VanDerWaalsContact C-N 3.3Å; Q237-S239 VanDerWaalsContact CD-OG 3.31Å; Q237-S239 WeakPolarHBondContact CG-OG 3.42Å; Q237-S239 PolarHBondContact NE2-OG 3.22Å; Q237-S239 VanDerWaalsContact NE2-OG 3.14Å; Q237-S239 PolarHBondContact O-N 3.38Å; Q237-L240 HydrophobicContact CB-CD1 4.33Å; Q237-L240 HydrophobicContact CB-CG 4.49Å; Q237-L240 PolarHBondContact O-N 3.45Å; Q237-L240 VanDerWaalsContact O-N 3.15Å; Q237-R241 PolarHBondContact O-N 3.26Å
238E89.4Confident86Confident116 Ų11662.4 Ų62.454%0.54228%0.278SS..Hα-helixtrans-59.8-37.8-174.7-179.4170.6-159.800113.3F236 R241 R242F236-E238 PolarHBondContact O-N 3.24Å; E238-R241 WeakPolarHBondContact O-CB 3.33Å; E238-R241 PolarHBondContact O-N 3.09Å; E238-R242 WeakPolarHBondContact O-CG 3.31Å; E238-R242 PolarHBondContact O-N 3.46Å
239S90.3Very high86.6Confident3 Ų365.5 Ų65.52%0.02130%0.297CS..Hα-helixtrans-62.8-40.4177.7530000112.4L205 V209 Q237 R242 L243L205-S239 WeakPolarHBondContact CD2-OG 3.48Å; V209-S239 VanDerWaalsContact CG2-O 3.31Å; V209-S239 WeakPolarHBondContact CG2-O 3.45Å; Q237-S239 VanDerWaalsContact C-N 3.3Å; Q237-S239 VanDerWaalsContact CD-OG 3.31Å; Q237-S239 WeakPolarHBondContact CG-OG 3.42Å; Q237-S239 PolarHBondContact NE2-OG 3.22Å; Q237-S239 VanDerWaalsContact NE2-OG 3.14Å; Q237-S239 PolarHBondContact O-N 3.38Å; S239-R242 PolarHBondContact O-N 2.92Å; S239-L243 PolarHBondContact O-N 3.38Å
240L91.2Very high87.1Confident7 Ų767.7 Ų67.74%0.03731%0.309CS..Hα-helixtrans-66.2-38.3173.7-72.6174.6000111.8L205 I232 A235 Q237 R242 L243 W244 L299L205-L240 HydrophobicContact CD1-CD2 4.14Å; L205-L240 HydrophobicContact CD2-CD2 3.77Å; L205-L240 HydrophobicContact CD2-CG 3.75Å; I232-L240 HydrophobicContact CG2-CB 4.17Å; I232-L240 HydrophobicContact CG2-CD2 4.32Å; I232-L240 WeakPolarHBondContact CG2-O 3.38Å; A235-L240 HydrophobicContact CB-CB 3.69Å; A235-L240 HydrophobicContact CB-CD1 3.45Å; A235-L240 VanDerWaalsContact CB-CD1 3.45Å; A235-L240 HydrophobicContact CB-CG 4.21Å; Q237-L240 HydrophobicContact CB-CD1 4.33Å; Q237-L240 HydrophobicContact CB-CG 4.49Å; Q237-L240 PolarHBondContact O-N 3.45Å; Q237-L240 VanDerWaalsContact O-N 3.15Å; L240-R242 VanDerWaalsContact C-N 3.34Å; L240-R242 PolarHBondContact O-N 3.02Å; L240-L243 HydrophobicContact CD2-CD2 4.38Å; L240-L243 WeakPolarHBondContact O-CB 3.21Å; L240-L243 PolarHBondContact O-N 3.11Å; L240-W244 PolarHBondContact O-N 3.48Å; L240-L299 HydrophobicContact CD1-CD2 3.72Å; L240-L299 HydrophobicContact CD1-CG 4.46Å
241R90.1Very high87.7Confident158 Ų15877.1 Ų77.160%0.59634%0.342SS*.Hα-helixtrans-63.8-40.6174.9-169.7177.766.4172-0.9111.8Q237 E238 W244 W245Q237-R241 PolarHBondContact O-N 3.26Å; E238-R241 WeakPolarHBondContact O-CB 3.33Å; E238-R241 PolarHBondContact O-N 3.09Å; R241-W244 PolarHBondContact O-N 2.97Å; R241-W245 PolarHBondContact O-N 2.86Å
242R91.5Very high88.1Confident74 Ų7478.4 Ų78.428%0.27935%0.346SS..Hα-helixtrans-63-43.2172.2-73.5-171.4-79.9152.4-9.4111.4E206 V209 E238 S239 L240 W244 W245 E246E206-R242 IonicContact OE1-NH2 2.85Å; V209-R242 HydrophobicContact CG1-CB 3.85Å; E238-R242 WeakPolarHBondContact O-CG 3.31Å; E238-R242 PolarHBondContact O-N 3.46Å; S239-R242 PolarHBondContact O-N 2.92Å; L240-R242 VanDerWaalsContact C-N 3.34Å; L240-R242 PolarHBondContact O-N 3.02Å; R242-W244 VanDerWaalsContact C-N 3.34Å; R242-W244 PolarHBondContact O-N 3.09Å; R242-W245 WeakPolarHBondContact O-CB 3.38Å; R242-W245 PolarHBondContact O-N 3.4Å; R242-E246 PolarHBondContact O-N 2.8Å; R242-E246 VanDerWaalsContact O-N 3.09Å
243L92.6Very high88.3Confident0 Ų082.5 Ų82.50%036%0.362CS..Hα-helixtrans-58.4-46.6174.8-171.760.5000111.5L205 V209 V212 V219 S239 L240 W245 E246 M247 I275L205-L243 HydrophobicContact CD1-CD2 4.38Å; V209-L243 HydrophobicContact CG2-CB 3.92Å; V209-L243 HydrophobicContact CG2-CD1 4.31Å; V212-L243 HydrophobicContact CB-CD1 4.44Å; V212-L243 HydrophobicContact CG2-CD1 4.11Å; V219-L243 HydrophobicContact CG2-CD1 4.17Å; S239-L243 PolarHBondContact O-N 3.38Å; L240-L243 HydrophobicContact CD2-CD2 4.38Å; L240-L243 WeakPolarHBondContact O-CB 3.21Å; L240-L243 PolarHBondContact O-N 3.11Å; L243-W245 VanDerWaalsContact C-N 3.29Å; L243-W245 PolarHBondContact O-N 3.24Å; L243-E246 PolarHBondContact O-N 2.91Å; L243-M247 HydrophobicContact CD2-SD 4.44Å; L243-M247 HydrophobicContact CG-CG 4.44Å; L243-M247 HydrophobicContact CG-SD 3.95Å; L243-M247 WeakPolarHBondContact O-CB 3.5Å; L243-M247 VanDerWaalsContact O-CG 3.26Å; L243-M247 WeakPolarHBondContact O-CG 3.13Å; L243-M247 PolarHBondContact O-N 3.43Å; L243-I275 HydrophobicContact CD2-CD1 4.16Å
244W90.1Very high88.7Confident44 Ų4480.2 Ų80.217%0.16736%0.355CS..Hα-helixtrans-59.4-40.6177.7-178.389.6000112.3I232 Q233 L240 R241 R242 M247 K248I232-W244 HydrophobicContact CG2-CB 3.78Å; Q233-W244 HydrophobicContact CB-CG 4.37Å; Q233-W244 HydrophobicContact CG-CD2 4.37Å; Q233-W244 HydrophobicContact CG-CZ2 3.78Å; L240-W244 PolarHBondContact O-N 3.48Å; R241-W244 PolarHBondContact O-N 2.97Å; R242-W244 VanDerWaalsContact C-N 3.34Å; R242-W244 PolarHBondContact O-N 3.09Å; W244-M247 PolarHBondContact O-N 2.75Å; W244-K248 HydrophobicContact CD2-CB 4.46Å; W244-K248 HydrophobicContact CH2-CD 3.81Å; W244-K248 HydrophobicContact CZ2-CD 3.24Å; W244-K248 HydrophobicContact CZ2-CG 4.46Å; W244-K248 WeakPolarHBondContact O-CB 3Å; W244-K248 PolarHBondContact O-N 2.85Å
245W91Very high89.1Confident140 Ų14077.3 Ų77.353%0.5334%0.341SS..Hα-helixtrans-60.7-48.4176.4-171.9-90.7000111.3R241 R242 L243 M247 V249 N250R241-W245 PolarHBondContact O-N 2.86Å; R242-W245 WeakPolarHBondContact O-CB 3.38Å; R242-W245 PolarHBondContact O-N 3.4Å; L243-W245 VanDerWaalsContact C-N 3.29Å; L243-W245 PolarHBondContact O-N 3.24Å; W245-M247 VanDerWaalsContact C-N 3.33Å; W245-M247 PolarHBondContact O-N 2.69Å; W245-V249 HydrophobicContact CD2-CB 4.06Å; W245-V249 HydrophobicContact CD2-CG1 4.5Å; W245-V249 HydrophobicContact CD2-CG2 3.65Å; W245-V249 HydrophobicContact CE3-CG2 3.65Å; W245-V249 HydrophobicContact CG-CB 4.34Å; W245-V249 HydrophobicContact CG-CG2 4.24Å; W245-V249 HydrophobicContact CH2-CG1 4.41Å; W245-V249 HydrophobicContact CH2-CG2 4.07Å; W245-V249 HydrophobicContact CZ2-CB 4.27Å; W245-V249 HydrophobicContact CZ2-CG1 3.82Å; W245-V249 HydrophobicContact CZ2-CG2 4.07Å; W245-V249 HydrophobicContact CZ3-CG2 3.87Å; W245-V249 WeakPolarHBondContact O-CA 3.3Å; W245-V249 VanDerWaalsContact O-CB 3.26Å; W245-V249 WeakPolarHBondContact O-CB 3.14Å; W245-V249 PolarHBondContact O-N 2.83Å; W245-N250 PolarHBondContact O-N 2.93Å
246E91.3Very high89.5Confident13 Ų1376.3 Ų76.36%0.06133%0.333CS..Hα-helixtrans-61.9-40.3176.5-68-62.2140.900112.4V212 R213 R242 L243 N250 K252V212-E246 HydrophobicContact CG1-CB 3.73Å; V212-E246 HydrophobicContact CG1-CG 4.33Å; R213-E246 HydrophobicContact CB-CG 4.37Å; R213-E246 IonicContact NE-OE1 3.63Å; R242-E246 PolarHBondContact O-N 2.8Å; R242-E246 VanDerWaalsContact O-N 3.09Å; L243-E246 PolarHBondContact O-N 2.91Å; E246-N250 CarbonylContact O-C 3.44Å; E246-N250 WeakPolarHBondContact O-CB 3.16Å; E246-N250 PolarHBondContact OE1-ND2 3.04Å; E246-N250 PolarHBondContact OE2-ND2 3.35Å; E246-K252 WeakPolarHBondContact O-CB 3.07Å; E246-K252 PolarHBondContact O-N 2.71Å; E246-K252 IonicContact OE2-NZ 3.95Å; E246-K252 PolarHBondContact OE2-NZ 2.94Å
247M89.8Confident89.6Confident5 Ų570.8 Ų70.83%0.02532%0.317CS..Hα-helixtrans-65.7-52.8178.7-72.8175.269.200112.1V219 T221 I229 I232 L243 W244 W245 R251 K252 W253V219-M247 HydrophobicContact CB-CE 4.16Å; V219-M247 HydrophobicContact CB-CG 4Å; V219-M247 HydrophobicContact CB-SD 4.2Å; V219-M247 HydrophobicContact CG1-CE 3.69Å; V219-M247 HydrophobicContact CG1-CG 4.41Å; V219-M247 HydrophobicContact CG1-SD 3.95Å; V219-M247 HydrophobicContact CG2-CG 4Å; V219-M247 HydrophobicContact CG2-SD 4.32Å; T221-M247 HydrophobicContact CG2-CE 3.75Å; I229-M247 HydrophobicContact CG1-CE 4.36Å; I232-M247 HydrophobicContact CD1-CE 4.34Å; I232-M247 HydrophobicContact CD1-SD 4.01Å; L243-M247 HydrophobicContact CD2-SD 4.44Å; L243-M247 HydrophobicContact CG-CG 4.44Å; L243-M247 HydrophobicContact CG-SD 3.95Å; L243-M247 WeakPolarHBondContact O-CB 3.5Å; L243-M247 VanDerWaalsContact O-CG 3.26Å; L243-M247 WeakPolarHBondContact O-CG 3.13Å; L243-M247 PolarHBondContact O-N 3.43Å; W244-M247 PolarHBondContact O-N 2.75Å; W245-M247 VanDerWaalsContact C-N 3.33Å; W245-M247 PolarHBondContact O-N 2.69Å; M247-R251 WeakPolarHBondContact O-CA 3.47Å; M247-K252 PolarHBondContact O-N 3.47Å; M247-W253 HydrophobicContact CB-CB 3.9Å; M247-W253 HydrophobicContact CE-CB 4.33Å; M247-W253 HydrophobicContact CE-CG 3.95Å; M247-W253 HydrophobicContact CG-CB 4.3Å; M247-W253 WeakPolarHBondContact O-CB 3.1Å
248K85.5Confident89.7Confident118 Ų11868.2 Ų68.251%0.51331%0.311SS..Hα-helixtrans-88.6-47.9-169.3-165.4178.3-172.9177.30112.8W244W244-K248 HydrophobicContact CD2-CB 4.46Å; W244-K248 HydrophobicContact CH2-CD 3.81Å; W244-K248 HydrophobicContact CZ2-CD 3.24Å; W244-K248 HydrophobicContact CZ2-CG 4.46Å; W244-K248 WeakPolarHBondContact O-CB 3Å; W244-K248 PolarHBondContact O-N 2.85Å
249V87.8Confident89.8Confident66 Ų6664.3 Ų64.340%0.429%0.291SS..THydrogen-bonded Turntrans-79.3-49.1-175-177.20000110.2W245 R251W245-V249 HydrophobicContact CD2-CB 4.06Å; W245-V249 HydrophobicContact CD2-CG1 4.5Å; W245-V249 HydrophobicContact CD2-CG2 3.65Å; W245-V249 HydrophobicContact CE3-CG2 3.65Å; W245-V249 HydrophobicContact CG-CB 4.34Å; W245-V249 HydrophobicContact CG-CG2 4.24Å; W245-V249 HydrophobicContact CH2-CG1 4.41Å; W245-V249 HydrophobicContact CH2-CG2 4.07Å; W245-V249 HydrophobicContact CZ2-CB 4.27Å; W245-V249 HydrophobicContact CZ2-CG1 3.82Å; W245-V249 HydrophobicContact CZ2-CG2 4.07Å; W245-V249 HydrophobicContact CZ3-CG2 3.87Å; W245-V249 WeakPolarHBondContact O-CA 3.3Å; W245-V249 VanDerWaalsContact O-CB 3.26Å; W245-V249 WeakPolarHBondContact O-CB 3.14Å; W245-V249 PolarHBondContact O-N 2.83Å; V249-R251 PolarHBondContact O-N 2.88Å
250N90Very high89.8Confident73 Ų7370.9 Ų70.939%0.3932%0.32SS..SBendtrans-82.84.1179.7-59.8-20.8000113.2W245 E246 K252W245-N250 PolarHBondContact O-N 2.93Å; E246-N250 CarbonylContact O-C 3.44Å; E246-N250 WeakPolarHBondContact O-CB 3.16Å; E246-N250 PolarHBondContact OE1-ND2 3.04Å; E246-N250 PolarHBondContact OE2-ND2 3.35Å; N250-K252 HydrophobicContact CB-CG 4.34Å; N250-K252 PolarHBondContact O-N 2.84Å; N250-K252 VanDerWaalsContact O-N 3.14Å
251R89.6Confident89.9Confident220 Ų22076.3 Ų76.383%0.8334%0.343SS*.  trans54.428.8177.2-58.2-176.8178.6-177.3-0.4114.1M247 V249 W253M247-R251 WeakPolarHBondContact O-CA 3.47Å; V249-R251 PolarHBondContact O-N 2.88Å; R251-W253 PolarHBondContact O-N 3.08Å
252K90.9Very high90.1Very high46 Ų4668.8 Ų68.820%0.231%0.314CS..  trans-84.942.3176-61.8179.7-178.61640111.8V212 R213 V219 E246 M247 N250V212-K252 HydrophobicContact CG1-CB 4.25Å; V212-K252 HydrophobicContact CG1-CD 3.96Å; V212-K252 VanDerWaalsContact O-CD 3.24Å; V212-K252 WeakPolarHBondContact O-CD 3.2Å; V212-K252 WeakPolarHBondContact O-CE 3.26Å; V212-K252 PolarHBondContact O-NZ 3.31Å; R213-K252 PolarHBondContact O-NZ 3.28Å; V219-K252 PolarHBondContact N-O 3.48Å; E246-K252 WeakPolarHBondContact O-CB 3.07Å; E246-K252 PolarHBondContact O-N 2.71Å; E246-K252 IonicContact OE2-NZ 3.95Å; E246-K252 PolarHBondContact OE2-NZ 2.94Å; M247-K252 PolarHBondContact O-N 3.47Å; N250-K252 HydrophobicContact CB-CG 4.34Å; N250-K252 PolarHBondContact O-N 2.84Å; N250-K252 VanDerWaalsContact O-N 3.14Å
253W89.8Confident90.2Very high87 Ų8766.5 Ų66.533%0.3331%0.307SS..EExtended strand (participates in β ladder)trans-138.6137.2-175.7167.362.9000112.5V219 T221 I229 M247 R251 N255V219-W253 CarbonylContact O-C 3.42Å; V219-W253 WeakPolarHBondContact O-CA 3.37Å; T221-W253 PolarHBondContact OG1-NE1 3.01Å; I229-W253 HydrophobicContact CD1-CD2 4.15Å; I229-W253 HydrophobicContact CD1-CH2 3.59Å; I229-W253 HydrophobicContact CD1-CZ2 3.06Å; I229-W253 HydrophobicContact CD1-CZ3 4.31Å; I229-W253 HydrophobicContact CG1-CZ2 4.45Å; M247-W253 HydrophobicContact CB-CB 3.9Å; M247-W253 HydrophobicContact CE-CB 4.33Å; M247-W253 HydrophobicContact CE-CG 3.95Å; M247-W253 HydrophobicContact CG-CB 4.3Å; M247-W253 WeakPolarHBondContact O-CB 3.1Å; R251-W253 PolarHBondContact O-N 3.08Å; W253-N255 HydrophobicContact CH2-CB 3.95Å; W253-N255 HydrophobicContact CZ2-CB 3.44Å; W253-N255 VanDerWaalsContact CZ2-CB 3.44Å
254V91Very high90.3Very high54 Ų5469.8 Ų69.833%0.32732%0.324SS..EExtended strand (participates in β ladder)trans-125.1132.3176.5178.80000109.9T218 V219 I220 T221 L265T218-V254 HydrophobicContact CG2-CG2 3.86Å; V219-V254 PolarHBondContact O-N 2.86Å; I220-V254 CarbonylContact C-O 3.57Å; I220-V254 VanDerWaalsContact CA-O 3.25Å; I220-V254 WeakPolarHBondContact CA-O 3.38Å; I220-V254 HydrophobicContact CG1-CB 4.38Å; T221-V254 PolarHBondContact N-O 3.31Å; V254-L265 HydrophobicContact CG1-CD1 4.48Å
255N88.5Confident90.6Very high57 Ų5769.7 Ų69.731%0.30533%0.327SS..EExtended strand (participates in β ladder)trans-100.1132.3177.3-161.7-7.1000111.7T221 K222 N223 W253T221-N255 CarbonylContact O-C 3.57Å; T221-N255 WeakPolarHBondContact O-CA 3.44Å; T221-N255 PolarHBondContact O-OD1 3.11Å; K222-N255 PolarHBondContact O-OD1 3.25Å; N223-N255 WeakPolarHBondContact CA-OD1 3.32Å; N223-N255 PolarHBondContact N-OD1 3.43Å; N223-N255 PolarHBondContact OD1-ND2 3.22Å; W253-N255 HydrophobicContact CH2-CB 3.95Å; W253-N255 HydrophobicContact CZ2-CB 3.44Å; W253-N255 VanDerWaalsContact CZ2-CB 3.44Å
256V90.1Very high90.7Very high2 Ų263 Ų631%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-120.1141.8-179.4-63.90000113I220 T221 K222 N223 S258 K261 L265 F274I220-V256 HydrophobicContact CG2-CB 4.33Å; I220-V256 HydrophobicContact CG2-CG1 3.65Å; I220-V256 HydrophobicContact CG2-CG2 3.75Å; T221-V256 WeakPolarHBondContact O-CG2 3.43Å; T221-V256 PolarHBondContact O-N 3.48Å; K222-V256 CarbonylContact C-O 3.48Å; K222-V256 VanDerWaalsContact C-O 3.29Å; K222-V256 WeakPolarHBondContact CA-O 3.27Å; K222-V256 HydrophobicContact CB-CG2 4.32Å; K222-V256 WeakPolarHBondContact CG-O 3.33Å; N223-V256 PolarHBondContact N-O 3.32Å; V256-S258 PolarHBondContact O-N 3.04Å; V256-K261 HydrophobicContact CB-CB 4.49Å; V256-K261 HydrophobicContact CG1-CG 4.42Å; V256-L265 HydrophobicContact CG1-CD1 3.58Å; V256-F274 HydrophobicContact CG2-CE2 4.05Å; V256-F274 HydrophobicContact CG2-CZ 4.19Å
257T85.4Confident90.8Very high95 Ų9563.8 Ų63.858%0.58331%0.306SS*.SBendtrans-72.7-29-179.752.10000114.1
258S88.3Confident91Very high54 Ų5469.1 Ų69.138%0.37833%0.334SS..SBendtrans-135.8146.2-173.3175.80000112V256 K260 K261 G262V256-S258 PolarHBondContact O-N 3.04Å; S258-K260 PolarHBondContact O-N 3.35Å; S258-K260 PolarHBondContact OG-N 2.62Å; S258-K261 PolarHBondContact O-N 3.14Å; S258-K261 VanDerWaalsContact O-N 3.08Å; S258-G262 PolarHBondContact O-N 3.23Å
259Y90Very high91.3Very high35 Ų3566.6 Ų66.614%0.13733%0.326CS..Hα-helixtrans-52.9-38.9171.5-79.6-70.8000112.5K222 K261 G262 K263 F274 A276 Q277 P280 L281 L284K222-Y259 HydrophobicContact CD-CD1 4.44Å; K222-Y259 HydrophobicContact CD-CD2 3.78Å; K222-Y259 HydrophobicContact CD-CE1 4.24Å; K222-Y259 HydrophobicContact CD-CE2 3.56Å; K222-Y259 HydrophobicContact CD-CG 4.21Å; K222-Y259 VanDerWaalsContact NZ-CE2 3.32Å; Y259-K261 PolarHBondContact O-N 3.07Å; Y259-G262 PolarHBondContact O-N 2.87Å; Y259-K263 PolarHBondContact O-N 3.49Å; Y259-F274 AromaticContact CD1-CE1 3.9Å; Y259-F274 HydrophobicContact CD1-CE1 3.9Å; Y259-F274 AromaticContact CD1-CZ 3.8Å; Y259-F274 HydrophobicContact CD1-CZ 3.8Å; Y259-F274 HydrophobicContact CE1-CZ 4.26Å; Y259-A276 HydrophobicContact CD1-CB 4.43Å; Y259-A276 HydrophobicContact CE1-CB 3.58Å; Y259-Q277 PolarHBondContact OH-OE1 3.47Å; Y259-P280 HydrophobicContact CD1-CB 4.02Å; Y259-P280 HydrophobicContact CD2-CB 4.21Å; Y259-P280 HydrophobicContact CE1-CB 3.65Å; Y259-P280 HydrophobicContact CE1-CG 4.26Å; Y259-P280 HydrophobicContact CE2-CB 3.83Å; Y259-P280 HydrophobicContact CE2-CG 4.06Å; Y259-P280 HydrophobicContact CG-CB 4.31Å; Y259-L281 HydrophobicContact CD1-CD2 4.27Å; Y259-L281 HydrophobicContact CE1-CD2 4.46Å; Y259-L284 HydrophobicContact CD1-CD1 4.25Å; Y259-L284 HydrophobicContact CG-CD1 4.45Å
260K91.6Very high91.4Very high141 Ų14167.1 Ų67.161%0.61333%0.331SS*.Hα-helixtrans-65-39.2178-170.6175.3-177.9179.40112.1S258 N264S258-K260 PolarHBondContact O-N 3.35Å; S258-K260 PolarHBondContact OG-N 2.62Å; K260-N264 VanDerWaalsContact O-CG 3.27Å; K260-N264 PolarHBondContact O-N 2.81Å; K260-N264 VanDerWaalsContact O-N 3.08Å; K260-N264 PolarHBondContact O-OD1 2.92Å
261K93.3Very high91.5Very high120 Ų12069 Ų6952%0.52234%0.336SS..Hα-helixtrans-68.2-42.1177.1-170.2173.9-178.2177.90110.8V256 S258 Y259 N264 L265V256-K261 HydrophobicContact CB-CB 4.49Å; V256-K261 HydrophobicContact CG1-CG 4.42Å; S258-K261 PolarHBondContact O-N 3.14Å; S258-K261 VanDerWaalsContact O-N 3.08Å; Y259-K261 PolarHBondContact O-N 3.07Å; K261-N264 PolarHBondContact O-N 3.39Å; K261-L265 WeakPolarHBondContact O-CG 3.29Å; K261-L265 PolarHBondContact O-N 2.85Å; K261-L265 VanDerWaalsContact O-N 3.13Å
262G93.5Very high91.7Very high0 Ų060.3 Ų60.30%031%0.305CS..Hα-helixtrans-58.1-49.7173.400000112.4S258 Y259 N264 L265 V266S258-G262 PolarHBondContact O-N 3.23Å; Y259-G262 PolarHBondContact O-N 2.87Å; G262-N264 PolarHBondContact O-N 3.33Å; G262-L265 PolarHBondContact O-N 2.91Å; G262-V266 WeakPolarHBondContact O-CG2 3.39Å; G262-V266 PolarHBondContact O-N 3.23Å
263K94.1Very high91.9Very high27 Ų2758.1 Ų58.112%0.11730%0.296CS..Hα-helixtrans-54.4-50.9175.3-171.9-164.565.5154.70112.2L87 Y259 L265 V266 I267 L284 D288 V291L87-K263 HydrophobicContact CD2-CB 4.42Å; L87-K263 HydrophobicContact CD2-CG 4.25Å; Y259-K263 PolarHBondContact O-N 3.49Å; K263-L265 VanDerWaalsContact C-N 3.27Å; K263-L265 PolarHBondContact O-N 3.15Å; K263-V266 WeakPolarHBondContact O-CB 3.36Å; K263-V266 PolarHBondContact O-N 3.14Å; K263-V266 VanDerWaalsContact O-N 3.12Å; K263-I267 HydrophobicContact CD-CD1 4.23Å; K263-I267 HydrophobicContact CG-CD1 4.05Å; K263-I267 WeakPolarHBondContact O-CG1 3.44Å; K263-I267 PolarHBondContact O-N 3.44Å; K263-L284 HydrophobicContact CB-CD1 4.42Å; K263-L284 HydrophobicContact CD-CB 4.26Å; K263-L284 HydrophobicContact CD-CD2 4.33Å; K263-D288 HydrophobicContact CD-CB 4.24Å; K263-D288 IonicContact NZ-OD2 3.71Å; K263-D288 PolarHBondContact NZ-OD2 3.38Å; K263-V291 HydrophobicContact CD-CG2 4.13Å; K263-V291 HydrophobicContact CG-CG1 4.16Å; K263-V291 HydrophobicContact CG-CG2 3.94Å
264N95Very high92.1Very high68 Ų6854 Ų5436%0.36428%0.28SS..Hα-helixtrans-63.2-33.5-176.9-70.42.8000112.6K260 K261 G262 I267 N268K260-N264 VanDerWaalsContact O-CG 3.27Å; K260-N264 PolarHBondContact O-N 2.81Å; K260-N264 VanDerWaalsContact O-N 3.08Å; K260-N264 PolarHBondContact O-OD1 2.92Å; K261-N264 PolarHBondContact O-N 3.39Å; G262-N264 PolarHBondContact O-N 3.33Å; N264-I267 PolarHBondContact O-N 2.73Å; N264-N268 WeakPolarHBondContact O-CB 3.33Å; N264-N268 PolarHBondContact O-N 3.26Å; N264-N268 PolarHBondContact O-ND2 2.96Å
265L95.5Very high92.2Very high43 Ų4351.4 Ų51.423%0.22526%0.264CS..Hα-helixtrans-66.2-39.4174.6-74.3174.3000112.4I220 V254 V256 K261 G262 K263 N268 N269 M272I220-L265 HydrophobicContact CD1-CB 3.62Å; I220-L265 HydrophobicContact CD1-CD1 4.12Å; V254-L265 HydrophobicContact CG1-CD1 4.48Å; V256-L265 HydrophobicContact CG1-CD1 3.58Å; K261-L265 WeakPolarHBondContact O-CG 3.29Å; K261-L265 PolarHBondContact O-N 2.85Å; K261-L265 VanDerWaalsContact O-N 3.13Å; G262-L265 PolarHBondContact O-N 2.91Å; K263-L265 VanDerWaalsContact C-N 3.27Å; K263-L265 PolarHBondContact O-N 3.15Å; L265-N268 PolarHBondContact O-N 3.27Å; L265-N269 WeakPolarHBondContact O-CB 3.44Å; L265-N269 PolarHBondContact O-N 3.47Å; L265-N269 PolarHBondContact O-ND2 2.87Å; L265-M272 HydrophobicContact CB-SD 4.06Å
266V94.7Very high92.3Very high0 Ų048.7 Ų48.70%025%0.25CC..Hα-helixtrans-65.3-40.9175.4175.30000111.2R89 I220 G262 K263 N269 F274 V291R89-V266 HydrophobicContact CB-CG1 4.28Å; I220-V266 HydrophobicContact CD1-CG2 3.99Å; G262-V266 WeakPolarHBondContact O-CG2 3.39Å; G262-V266 PolarHBondContact O-N 3.23Å; K263-V266 WeakPolarHBondContact O-CB 3.36Å; K263-V266 PolarHBondContact O-N 3.14Å; K263-V266 VanDerWaalsContact O-N 3.12Å; V266-N269 CarbonylContact O-C 3.29Å; V266-N269 VanDerWaalsContact O-O 3.1Å; V266-F274 HydrophobicContact CG2-CB 3.58Å; V266-V291 HydrophobicContact CB-CG1 4.36Å; V266-V291 HydrophobicContact CG1-CG1 3.94Å
267I92Very high92.2Very high29 Ų2951.6 Ų51.615%0.14926%0.263CS..Hα-helixtrans-61.4-49175.9-66.7170.7000110.3R89 K263 N264 N269 D288 H290 V291R89-I267 PolarHBondContact NH1-O 3.43Å; K263-I267 HydrophobicContact CD-CD1 4.23Å; K263-I267 HydrophobicContact CG-CD1 4.05Å; K263-I267 WeakPolarHBondContact O-CG1 3.44Å; K263-I267 PolarHBondContact O-N 3.44Å; N264-I267 PolarHBondContact O-N 2.73Å; I267-N269 VanDerWaalsContact C-N 3.35Å; I267-N269 PolarHBondContact O-N 3.22Å; I267-D288 WeakPolarHBondContact CD1-OD2 3.23Å; I267-H290 HydrophobicContact CD1-CB 4.16Å; I267-H290 HydrophobicContact CG1-CB 3.93Å; I267-H290 HydrophobicContact CG2-CB 4.2Å; I267-V291 HydrophobicContact CD1-CG1 4.23Å; I267-V291 HydrophobicContact CG1-CG1 3.52Å
268N93.7Very high92.4Very high116 Ų11650.4 Ų50.462%0.6225%0.248SC*.Hα-helixtrans-72.7-27.3-175-67.4-10.5000113N264 L265N264-N268 WeakPolarHBondContact O-CB 3.33Å; N264-N268 PolarHBondContact O-N 3.26Å; N264-N268 PolarHBondContact O-ND2 2.96Å; L265-N268 PolarHBondContact O-N 3.27Å
269N93.5Very high92.3Very high65 Ų6550.7 Ų50.735%0.34824%0.243SC..  trans-127.7105.2-176.9-61-68.3000110.9L265 V266 I267 K271 M272L265-N269 WeakPolarHBondContact O-CB 3.44Å; L265-N269 PolarHBondContact O-N 3.47Å; L265-N269 PolarHBondContact O-ND2 2.87Å; V266-N269 CarbonylContact O-C 3.29Å; V266-N269 VanDerWaalsContact O-O 3.1Å; I267-N269 VanDerWaalsContact C-N 3.35Å; I267-N269 PolarHBondContact O-N 3.22Å; N269-K271 PolarHBondContact O-N 2.46Å; N269-K271 VanDerWaalsContact O-N 3.08Å; N269-M272 HydrophobicContact CB-CB 4.22Å; N269-M272 HydrophobicContact CB-CE 4.08Å; N269-M272 HydrophobicContact CB-CG 3.68Å; N269-M272 HydrophobicContact CB-SD 3.72Å; N269-M272 PolarHBondContact O-N 2.69Å
270P88.2Confident92.1Very high78 Ų7850.6 Ų50.651%0.50625%0.247SC..THydrogen-bonded Turntrans-63.3-19.6-177.124.9-34.1000114M272P270-M272 VanDerWaalsContact C-N 3.32Å
271K92.2Very high92Very high113 Ų11343.9 Ų43.949%0.49122%0.218SC..THydrogen-bonded Turntrans-90.915.8176.6-64.2-168.7175.6-164.10114S215 Y217 T218 N269S215-K271 PolarHBondContact O-NZ 3.01Å; Y217-K271 VanDerWaalsContact CA-O 3.27Å; Y217-K271 WeakPolarHBondContact CA-O 3.43Å; Y217-K271 HydrophobicContact CD1-CB 4.21Å; Y217-K271 WeakPolarHBondContact CD1-O 3.33Å; Y217-K271 HydrophobicContact CE1-CB 4.38Å; Y217-K271 HydrophobicContact CE2-CG 4.41Å; Y217-K271 HydrophobicContact CG-CB 4.4Å; T218-K271 PolarHBondContact N-O 3.22Å; N269-K271 PolarHBondContact O-N 2.46Å; N269-K271 VanDerWaalsContact O-N 3.08Å
272M94.9Very high91.6Very high37 Ų3741.8 Ų41.818%0.18221%0.213CC..EExtended strand (participates in β ladder)trans-108.2137.9175.4-70.6-171.4179.500111.4T218 I220 L265 N269 P270T218-M272 WeakPolarHBondContact O-CA 3.41Å; I220-M272 HydrophobicContact CD1-CB 3.8Å; I220-M272 HydrophobicContact CD1-CG 4.31Å; I220-M272 HydrophobicContact CD1-SD 3.88Å; I220-M272 HydrophobicContact CG1-CB 4.4Å; I220-M272 HydrophobicContact CG1-SD 4.45Å; L265-M272 HydrophobicContact CB-SD 4.06Å; N269-M272 HydrophobicContact CB-CB 4.22Å; N269-M272 HydrophobicContact CB-CE 4.08Å; N269-M272 HydrophobicContact CB-CG 3.68Å; N269-M272 HydrophobicContact CB-SD 3.72Å; N269-M272 PolarHBondContact O-N 2.69Å; P270-M272 VanDerWaalsContact C-N 3.32Å
273I94.4Very high91.1Very high0 Ų043.6 Ų43.60%022%0.222CC..EExtended strand (participates in β ladder)trans-124.1120.5-176.1-58-177.4000108.2V86 I88 F202 L208 Y217 T218 V219 I220 I275V86-I273 HydrophobicContact CG1-CG2 3.14Å; I88-I273 HydrophobicContact CG2-CG1 4.35Å; I88-I273 HydrophobicContact CG2-CG2 4.24Å; F202-I273 HydrophobicContact CE1-CD1 3.92Å; F202-I273 HydrophobicContact CZ-CD1 4.39Å; L208-I273 HydrophobicContact CD1-CD1 3.27Å; L208-I273 HydrophobicContact CD1-CG2 4.2Å; Y217-I273 HydrophobicContact CD1-CD1 3.57Å; Y217-I273 HydrophobicContact CD1-CG1 3.68Å; Y217-I273 HydrophobicContact CE1-CD1 4.29Å; Y217-I273 HydrophobicContact CE1-CG1 4.37Å; Y217-I273 HydrophobicContact CG-CD1 4.13Å; T218-I273 PolarHBondContact O-N 3.26Å; V219-I273 CarbonylContact C-O 3.59Å; V219-I273 WeakPolarHBondContact CA-O 3.39Å; I220-I273 PolarHBondContact N-O 3.44Å; I273-I275 HydrophobicContact CG2-CG1 4.36Å
274F94.7Very high90.8Very high0 Ų043.6 Ų43.60%022%0.223CC..EExtended strand (participates in β ladder)trans-101112.2-178.3-179.4-150.8000111.5L87 I220 K222 V256 Y259 V266 A276 L281L87-F274 HydrophobicContact CB-CB 4.22Å; L87-F274 HydrophobicContact CD2-CD1 4.14Å; L87-F274 PolarHBondContact N-O 3.48Å; L87-F274 PolarHBondContact O-N 2.82Å; I220-F274 HydrophobicContact CB-CB 4.12Å; I220-F274 HydrophobicContact CB-CD2 3.85Å; I220-F274 HydrophobicContact CB-CG 4.31Å; I220-F274 HydrophobicContact CG2-CD2 3.6Å; I220-F274 HydrophobicContact CG2-CE2 4.04Å; I220-F274 HydrophobicContact CG2-CG 4.25Å; I220-F274 WeakPolarHBondContact O-CD2 3.49Å; K222-F274 HydrophobicContact CB-CE2 4.27Å; K222-F274 HydrophobicContact CB-CZ 4.31Å; V256-F274 HydrophobicContact CG2-CE2 4.05Å; V256-F274 HydrophobicContact CG2-CZ 4.19Å; Y259-F274 AromaticContact CD1-CE1 3.9Å; Y259-F274 HydrophobicContact CD1-CE1 3.9Å; Y259-F274 AromaticContact CD1-CZ 3.8Å; Y259-F274 HydrophobicContact CD1-CZ 3.8Å; Y259-F274 HydrophobicContact CE1-CZ 4.26Å; V266-F274 HydrophobicContact CG2-CB 3.58Å; F274-A276 HydrophobicContact CE2-CB 3.95Å; F274-A276 HydrophobicContact CZ-CB 4.01Å; F274-L281 HydrophobicContact CD1-CD2 3.66Å; F274-L281 HydrophobicContact CE1-CD2 3.63Å; F274-L281 HydrophobicContact CG-CD2 4.48Å; F274-L281 HydrophobicContact CZ-CD2 4.43Å
275I93Very high90.3Very high0 Ų041.1 Ų41.10%021%0.211CC..EExtended strand (participates in β ladder)trans-99.8120.8177.8-54.4-178.6000109H84 V86 V219 I220 T228 L243 I273 L298H84-I275 HydrophobicContact CB-CG2 4.31Å; V86-I275 HydrophobicContact CG2-CG1 4.11Å; V219-I275 HydrophobicContact CG1-CB 4.45Å; V219-I275 HydrophobicContact CG1-CD1 3.63Å; V219-I275 HydrophobicContact CG1-CG1 3.9Å; I220-I275 PolarHBondContact O-N 2.66Å; T228-I275 HydrophobicContact CG2-CG2 4.17Å; L243-I275 HydrophobicContact CD2-CD1 4.16Å; I273-I275 HydrophobicContact CG2-CG1 4.36Å; I275-L298 HydrophobicContact CD1-CD1 4.04Å; I275-L298 HydrophobicContact CG2-CD1 4.1Å
276A90.9Very high89.5Confident0 Ų040.5 Ų40.50%021%0.212CC..EExtended strand (participates in β ladder)trans-160.1-178.7176.300000110.8H84 G85 Y259 F274 R278 L281H84-A276 CarbonylContact C-O 3.57Å; H84-A276 WeakPolarHBondContact CA-O 3.04Å; H84-A276 WeakPolarHBondContact CB-O 3.44Å; G85-A276 PolarHBondContact N-O 2.83Å; G85-A276 PolarHBondContact O-N 3.33Å; Y259-A276 HydrophobicContact CD1-CB 4.43Å; Y259-A276 HydrophobicContact CE1-CB 3.58Å; F274-A276 HydrophobicContact CE2-CB 3.95Å; F274-A276 HydrophobicContact CZ-CB 4.01Å; A276-R278 PolarHBondContact O-N 3.13Å; A276-L281 HydrophobicContact CB-CD1 4.04Å; A276-L281 HydrophobicContact CB-CD2 4.26Å; A276-L281 HydrophobicContact CB-CG 4.17Å
277Q88Confident88.8Confident62 Ų6248.2 Ų48.229%0.2924%0.241SC..EExtended strand (participates in β ladder)trans-54.7137.9175.7-67.2170-44.100111.1Y259 E279 P280 L281 Y303Y259-Q277 PolarHBondContact OH-OE1 3.47Å; Q277-E279 PolarHBondContact O-N 2.79Å; Q277-P280 HydrophobicContact CB-CG 4.24Å; Q277-P280 WeakPolarHBondContact O-CD 3.41Å; Q277-L281 WeakPolarHBondContact O-CG 3.39Å; Q277-L281 PolarHBondContact O-N 3.14Å; Q277-Y303 PolarHBondContact NE2-OH 3.02Å
278R89Confident88.2Confident70 Ų7048.3 Ų48.326%0.26424%0.242SC..Hα-helixtrans-66.2-40.5-170.4-174.9171.7-167.4110.45.6113.4D83 A276 L281 N282 L293 I296D83-R278 WeakPolarHBondContact O-CB 3.46Å; D83-R278 PolarHBondContact O-N 2.86Å; D83-R278 VanDerWaalsContact OD1-CB 3.24Å; D83-R278 WeakPolarHBondContact OD1-CB 3.26Å; D83-R278 WeakPolarHBondContact OD1-CD 3.11Å; D83-R278 IonicContact OD2-CZ 2.76Å; D83-R278 IonicContact OD2-NH1 2.9Å; D83-R278 PolarHBondContact OD2-NH1 3.45Å; A276-R278 PolarHBondContact O-N 3.13Å; R278-L281 PolarHBondContact O-N 3.3Å; R278-L281 VanDerWaalsContact O-N 3.13Å; R278-N282 WeakPolarHBondContact O-CB 3.16Å; R278-N282 PolarHBondContact O-N 3.34Å; R278-L293 HydrophobicContact CG-CD1 4.35Å; R278-I296 PolarHBondContact NH1-O 3.31Å
279E85.8Confident87.6Confident60 Ų6045.1 Ų45.128%0.2823%0.228SC..Hα-helixtrans-64.3-49-172.9-58.770.4-163.200111.6S82 Q277 L281 N282 I283S82-E279 WeakPolarHBondContact CB-OE1 3.23Å; S82-E279 PolarHBondContact OG-OE1 3.21Å; S82-E279 PolarHBondContact OG-OE2 2.99Å; Q277-E279 PolarHBondContact O-N 2.79Å; E279-L281 VanDerWaalsContact C-N 3.27Å; E279-L281 PolarHBondContact O-N 3.16Å; E279-N282 PolarHBondContact O-N 3.4Å; E279-I283 WeakPolarHBondContact O-CG1 3.4Å; E279-I283 PolarHBondContact O-N 2.88Å; E279-I283 VanDerWaalsContact O-N 3.14Å
280P86.3Confident87.3Confident34 Ų3447.4 Ų47.422%0.22124%0.237CC..Hα-helixtrans-59.2-36.2172.2-25.335.5000113.5Y259 Q277 I283 L284Y259-P280 HydrophobicContact CD1-CB 4.02Å; Y259-P280 HydrophobicContact CD2-CB 4.21Å; Y259-P280 HydrophobicContact CE1-CB 3.65Å; Y259-P280 HydrophobicContact CE1-CG 4.26Å; Y259-P280 HydrophobicContact CE2-CB 3.83Å; Y259-P280 HydrophobicContact CE2-CG 4.06Å; Y259-P280 HydrophobicContact CG-CB 4.31Å; Q277-P280 HydrophobicContact CB-CG 4.24Å; Q277-P280 WeakPolarHBondContact O-CD 3.41Å; P280-I283 WeakPolarHBondContact O-CB 3.28Å; P280-L284 VanDerWaalsContact O-CG 3.31Å; P280-L284 WeakPolarHBondContact O-CG 3.44Å; P280-L284 PolarHBondContact O-N 3.34Å
281L90Very high87.3Confident0 Ų043.9 Ų43.90%021%0.213CC..Hα-helixtrans-70.9-39.7178.7-67.2-179000112.1G85 L87 Y259 F274 A276 Q277 R278 E279 I283 L284 S285 L293G85-L281 VanDerWaalsContact O-CD1 3.26Å; G85-L281 WeakPolarHBondContact O-CD1 3.41Å; L87-L281 HydrophobicContact CB-CD1 4.14Å; L87-L281 HydrophobicContact CB-CD2 4Å; L87-L281 HydrophobicContact CD2-CD2 4.2Å; Y259-L281 HydrophobicContact CD1-CD2 4.27Å; Y259-L281 HydrophobicContact CE1-CD2 4.46Å; F274-L281 HydrophobicContact CD1-CD2 3.66Å; F274-L281 HydrophobicContact CE1-CD2 3.63Å; F274-L281 HydrophobicContact CG-CD2 4.48Å; F274-L281 HydrophobicContact CZ-CD2 4.43Å; A276-L281 HydrophobicContact CB-CD1 4.04Å; A276-L281 HydrophobicContact CB-CD2 4.26Å; A276-L281 HydrophobicContact CB-CG 4.17Å; Q277-L281 WeakPolarHBondContact O-CG 3.39Å; Q277-L281 PolarHBondContact O-N 3.14Å; R278-L281 PolarHBondContact O-N 3.3Å; R278-L281 VanDerWaalsContact O-N 3.13Å; E279-L281 VanDerWaalsContact C-N 3.27Å; E279-L281 PolarHBondContact O-N 3.16Å; L281-I283 PolarHBondContact O-N 3.12Å; L281-L284 HydrophobicContact CD2-CD1 4.09Å; L281-L284 WeakPolarHBondContact O-CA 3.16Å; L281-L284 WeakPolarHBondContact O-CB 3.41Å; L281-L284 PolarHBondContact O-N 3.33Å; L281-S285 PolarHBondContact O-N 3.17Å; L281-S285 PolarHBondContact O-OG 2.83Å; L281-L293 HydrophobicContact CB-CD2 3.75Å; L281-L293 HydrophobicContact CD1-CD2 4.16Å
282N85.2Confident87.1Confident76 Ų7639.9 Ų39.941%0.40620%0.199SC..Hα-helixtrans-60.9-37.3176.9-163.120.8000111.2R278 E279 S285 A286 L293R278-N282 WeakPolarHBondContact O-CB 3.16Å; R278-N282 PolarHBondContact O-N 3.34Å; E279-N282 PolarHBondContact O-N 3.4Å; N282-S285 WeakPolarHBondContact CA-OG 3.38Å; N282-S285 PolarHBondContact O-OG 3.32Å; N282-S285 VanDerWaalsContact O-OG 3.11Å; N282-A286 VanDerWaalsContact O-CB 3.27Å; N282-A286 WeakPolarHBondContact O-CB 3.3Å; N282-A286 PolarHBondContact O-N 2.86Å; N282-L293 HydrophobicContact CB-CD1 3.85Å
283I83.1Confident86.9Confident37 Ų3739 Ų3919%0.1920%0.195CC..Hα-helixtrans-61.9-42.5171.8-70.8177000111.9E279 P280 L281 R287 Y341 M345E279-I283 WeakPolarHBondContact O-CG1 3.4Å; E279-I283 PolarHBondContact O-N 2.88Å; E279-I283 VanDerWaalsContact O-N 3.14Å; P280-I283 WeakPolarHBondContact O-CB 3.28Å; L281-I283 PolarHBondContact O-N 3.12Å; I283-R287 WeakPolarHBondContact O-CG 3.32Å; I283-R287 PolarHBondContact O-N 3.45Å; I283-Y341 HydrophobicContact CD1-CE1 4.18Å; I283-M345 HydrophobicContact CB-CE 3.65Å; I283-M345 HydrophobicContact CB-SD 4.44Å; I283-M345 HydrophobicContact CD1-CE 3.94Å; I283-M345 HydrophobicContact CD1-SD 3.74Å; I283-M345 HydrophobicContact CG1-CE 3.45Å; I283-M345 VanDerWaalsContact CG1-CE 3.45Å; I283-M345 HydrophobicContact CG1-CG 4.42Å; I283-M345 HydrophobicContact CG1-SD 3.57Å; I283-M345 VanDerWaalsContact CG1-SD 3.57Å; I283-M345 HydrophobicContact CG2-CE 3.18Å; I283-M345 HydrophobicContact CG2-SD 4.39Å
284L86.7Confident86.7Confident27 Ų2739 Ų3914%0.14120%0.195CC..Hα-helixtrans-70.9-44.3-179.2-66.8168000111.8Y259 K263 P280 L281 A286 R287 D288Y259-L284 HydrophobicContact CD1-CD1 4.25Å; Y259-L284 HydrophobicContact CG-CD1 4.45Å; K263-L284 HydrophobicContact CB-CD1 4.42Å; K263-L284 HydrophobicContact CD-CB 4.26Å; K263-L284 HydrophobicContact CD-CD2 4.33Å; P280-L284 VanDerWaalsContact O-CG 3.31Å; P280-L284 WeakPolarHBondContact O-CG 3.44Å; P280-L284 PolarHBondContact O-N 3.34Å; L281-L284 HydrophobicContact CD2-CD1 4.09Å; L281-L284 WeakPolarHBondContact O-CA 3.16Å; L281-L284 WeakPolarHBondContact O-CB 3.41Å; L281-L284 PolarHBondContact O-N 3.33Å; L284-A286 VanDerWaalsContact C-N 3.34Å; L284-R287 PolarHBondContact O-N 3.37Å; L284-D288 PolarHBondContact O-N 2.85Å
285S84.7Confident86.3Confident16 Ų1642.2 Ų42.211%0.11222%0.216CC..Hα-helixtrans-65.7-37.5178.857.60000112.1L281 N282 R287 D288L281-S285 PolarHBondContact O-N 3.17Å; L281-S285 PolarHBondContact O-OG 2.83Å; N282-S285 WeakPolarHBondContact CA-OG 3.38Å; N282-S285 PolarHBondContact O-OG 3.32Å; N282-S285 VanDerWaalsContact O-OG 3.11Å; S285-R287 VanDerWaalsContact C-N 3.31Å; S285-R287 PolarHBondContact O-N 3.38Å; S285-D288 PolarHBondContact O-N 3.35Å
286A79.2Confident86.1Confident31 Ų3142.9 Ų42.926%0.25622%0.219SC..Hα-helixtrans-67.5-34.5177.200000112.3N282 L284 L349N282-A286 VanDerWaalsContact O-CB 3.27Å; N282-A286 WeakPolarHBondContact O-CB 3.3Å; N282-A286 PolarHBondContact O-N 2.86Å; L284-A286 VanDerWaalsContact C-N 3.34Å; A286-L349 HydrophobicContact CB-CD1 3.37Å; A286-L349 HydrophobicContact CB-CD2 3.77Å; A286-L349 HydrophobicContact CB-CG 4.16Å; A286-L349 VanDerWaalsContact O-CD2 3.24Å; A286-L349 WeakPolarHBondContact O-CD2 3.23Å
287R79.4Confident85.8Confident161 Ų16147.6 Ų47.661%0.60825%0.248SC*.Hα-helixtrans-77.6-21.5-179.4-74-176.9-179.1-178.93114.2I283 L284 S285 L349I283-R287 WeakPolarHBondContact O-CG 3.32Å; I283-R287 PolarHBondContact O-N 3.45Å; L284-R287 PolarHBondContact O-N 3.37Å; S285-R287 VanDerWaalsContact C-N 3.31Å; S285-R287 PolarHBondContact O-N 3.38Å; R287-L349 HydrophobicContact CB-CD2 4.2Å; R287-L349 HydrophobicContact CG-CD2 3.55Å
288D80.4Confident85.8Confident32 Ų3244.9 Ų44.917%0.17124%0.235CC..  trans-143.5110.6-170.3-169.9-17.8000111.3K263 I267 L284 S285 H290 V291K263-D288 HydrophobicContact CD-CB 4.24Å; K263-D288 IonicContact NZ-OD2 3.71Å; K263-D288 PolarHBondContact NZ-OD2 3.38Å; I267-D288 WeakPolarHBondContact CD1-OD2 3.23Å; L284-D288 PolarHBondContact O-N 2.85Å; S285-D288 PolarHBondContact O-N 3.35Å; D288-H290 PolarHBondContact O-N 3.43Å; D288-H290 VanDerWaalsContact O-N 3.17Å; D288-H290 IonicContact OD1-CD2 2.74Å; D288-H290 PolarHBondContact OD1-CD2 3.14Å; D288-H290 IonicContact OD1-CG 3.17Å; D288-H290 PolarHBondContact OD1-N 3.18Å; D288-V291 HydrophobicContact CB-CG2 4.44Å; D288-V291 WeakPolarHBondContact O-CG2 3.36Å; D288-V291 PolarHBondContact O-N 2.69Å
289C80.7Confident85.6Confident48 Ų4842.7 Ų42.732%0.32423%0.229SC..THydrogen-bonded Turntrans-68.5-13.2-174.6-52.60000114.9S90 V291 C354S90-C289 WeakPolarHBondContact CB-O 3.38Å; S90-C289 PolarHBondContact OG-O 2.85Å; C289-V291 PolarHBondContact O-N 2.54Å; C289-C354 WeakPolarHBondContact CA-SG 3.32Å; C289-C354 HydrophobicContact CB-CB 4.31Å; C289-C354 WeakPolarHBondContact CB-SG 3.24Å; C289-C354 WeakPolarHBondContact SG-CA 3.38Å; C289-C354 WeakPolarHBondContact SG-CB 3.34Å; C289-C354 CovalentContact SG-SG 2.02Å; C289-C354 PolarHBondContact SG-SG 3.11Å
290H86.1Confident85.7Confident114 Ų11443.7 Ų43.753%0.52824%0.241SC..THydrogen-bonded Turntrans-71.7-9.5178-62.5-59.2000112.5R89 S90 I267 D288R89-H290 WeakPolarHBondContact CA-O 3.24Å; R89-H290 WeakPolarHBondContact CG-O 3.41Å; S90-H290 PolarHBondContact N-O 2.77Å; I267-H290 HydrophobicContact CD1-CB 4.16Å; I267-H290 HydrophobicContact CG1-CB 3.93Å; I267-H290 HydrophobicContact CG2-CB 4.2Å; D288-H290 PolarHBondContact O-N 3.43Å; D288-H290 VanDerWaalsContact O-N 3.17Å; D288-H290 IonicContact OD1-CD2 2.74Å; D288-H290 PolarHBondContact OD1-CD2 3.14Å; D288-H290 IonicContact OD1-CG 3.17Å; D288-H290 PolarHBondContact OD1-N 3.18Å
291V89.1Confident85.8Confident3 Ų343.2 Ų43.22%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-130.7147.2177.2-66.50000111.8L87 I88 S90 K263 V266 I267 D288 C289L87-V291 HydrophobicContact CD1-CB 4Å; L87-V291 HydrophobicContact CD1-CG2 4.11Å; L87-V291 HydrophobicContact CD2-CB 4.08Å; L87-V291 HydrophobicContact CD2-CG1 4.26Å; L87-V291 HydrophobicContact CD2-CG2 4.18Å; L87-V291 HydrophobicContact CG-CB 4Å; L87-V291 HydrophobicContact CG-CG2 4.42Å; I88-V291 CarbonylContact O-C 3.43Å; I88-V291 VanDerWaalsContact O-CA 3.26Å; I88-V291 WeakPolarHBondContact O-CA 2.84Å; I88-V291 WeakPolarHBondContact O-CB 3.35Å; S90-V291 WeakPolarHBondContact OG-CA 3.29Å; S90-V291 PolarHBondContact OG-N 2.99Å; S90-V291 PolarHBondContact OG-O 3.09Å; K263-V291 HydrophobicContact CD-CG2 4.13Å; K263-V291 HydrophobicContact CG-CG1 4.16Å; K263-V291 HydrophobicContact CG-CG2 3.94Å; V266-V291 HydrophobicContact CB-CG1 4.36Å; V266-V291 HydrophobicContact CG1-CG1 3.94Å; I267-V291 HydrophobicContact CD1-CG1 4.23Å; I267-V291 HydrophobicContact CG1-CG1 3.52Å; D288-V291 HydrophobicContact CB-CG2 4.44Å; D288-V291 WeakPolarHBondContact O-CG2 3.36Å; D288-V291 PolarHBondContact O-N 2.69Å; C289-V291 PolarHBondContact O-N 2.54Å
292T88.2Confident85.9Confident30 Ų3049.4 Ų49.418%0.18426%0.259CS..EExtended strand (participates in β ladder)trans-137.1157.9176.1-169.40000110.7I88 S90 Y200I88-T292 HydrophobicContact CD1-CG2 4.18Å; I88-T292 HydrophobicContact CG1-CG2 3.8Å; I88-T292 PolarHBondContact N-O 3.41Å; I88-T292 PolarHBondContact O-N 3.1Å; S90-T292 PolarHBondContact OG-N 2.81Å; Y200-T292 HydrophobicContact CE1-CG2 3.69Å
293L89.6Confident86.2Confident19 Ų1946.5 Ų46.510%0.09924%0.243CC..EExtended strand (participates in β ladder)trans-81.6126.8169.4-80172.5000109.2V86 L87 R278 L281 N282V86-L293 WeakPolarHBondContact O-CA 3.46Å; L87-L293 HydrophobicContact CD1-CD2 4.38Å; L87-L293 HydrophobicContact CD1-CG 4.48Å; R278-L293 HydrophobicContact CG-CD1 4.35Å; L281-L293 HydrophobicContact CB-CD2 3.75Å; L281-L293 HydrophobicContact CD1-CD2 4.16Å; N282-L293 HydrophobicContact CB-CD1 3.85Å
294A90.2Very high86.6Confident0 Ų044.7 Ų44.70%023%0.234CC..  trans-64.6150170.500000110.4V86 I88 F202 I296V86-A294 HydrophobicContact CB-CB 4.21Å; V86-A294 HydrophobicContact CG1-CB 4.36Å; V86-A294 PolarHBondContact O-N 3.27Å; I88-A294 HydrophobicContact CD1-CB 4.43Å; F202-A294 HydrophobicContact CE2-CB 3.6Å; F202-A294 HydrophobicContact CZ-CB 3.78Å; A294-I296 HydrophobicContact CB-CG1 4.13Å; A294-I296 PolarHBondContact O-N 2.88Å
295P86.9Confident86.8Confident67 Ų6743.4 Ų43.444%0.43523%0.227SC..SBendtrans-77.941.6-17735-38.2000112.3Y200 Y203Y200-P295 HydrophobicContact CD1-CG 4.47Å; Y200-P295 HydrophobicContact CD2-CG 4.11Å; Y200-P295 HydrophobicContact CE2-CG 4.47Å; Y200-P295 HydrophobicContact CG-CG 4.13Å; Y203-P295 HydrophobicContact CD1-CG 3.84Å; Y203-P295 HydrophobicContact CE1-CG 4.29Å
296I89.7Confident87.2Confident13 Ų1342.7 Ų42.77%0.06722%0.222CC..  trans-121.7149.7176.460.9166.4000110.4V86 F202 Y203 L208 R278 A294 L298V86-I296 HydrophobicContact CB-CD1 3.95Å; V86-I296 HydrophobicContact CB-CG1 4.01Å; V86-I296 HydrophobicContact CG1-CD1 4.37Å; V86-I296 HydrophobicContact CG2-CD1 3.49Å; V86-I296 VanDerWaalsContact CG2-CD1 3.49Å; V86-I296 HydrophobicContact CG2-CG1 3.84Å; F202-I296 HydrophobicContact CD2-CD1 4.13Å; F202-I296 HydrophobicContact CD2-CG2 4.39Å; F202-I296 HydrophobicContact CE2-CD1 3.53Å; F202-I296 HydrophobicContact CE2-CG1 4.04Å; Y203-I296 WeakPolarHBondContact O-CG2 3.5Å; L208-I296 HydrophobicContact CD2-CD1 3.86Å; R278-I296 PolarHBondContact NH1-O 3.31Å; A294-I296 HydrophobicContact CB-CG1 4.13Å; A294-I296 PolarHBondContact O-N 2.88Å; I296-L298 HydrophobicContact CD1-CD1 4.33Å; I296-L298 HydrophobicContact CD1-CD2 4.2Å; I296-L298 HydrophobicContact CD1-CG 4.22Å
297T84Confident87.8Confident99 Ų9941.6 Ų41.661%0.60721%0.211SC*.  trans-114.1128.3173.255.50000107.5D83D83-T297 WeakPolarHBondContact OD2-CB 3.41Å; D83-T297 VanDerWaalsContact OD2-CG2 3.23Å; D83-T297 WeakPolarHBondContact OD2-CG2 3.43Å
298L87.6Confident88.5Confident6 Ų636 Ų363%0.03119%0.19CC..EExtended strand (participates in β ladder)trans-119.3140.7177.9-61.7-177.4000109.3H84 V86 L205 L208 I275 I296H84-L298 WeakPolarHBondContact CA-O 3.25Å; H84-L298 HydrophobicContact CB-CB 4.11Å; H84-L298 WeakPolarHBondContact CB-O 3.19Å; H84-L298 PolarHBondContact N-O 3.35Å; H84-L298 PolarHBondContact O-N 2.92Å; H84-L298 VanDerWaalsContact O-N 3.08Å; V86-L298 HydrophobicContact CG2-CD1 3.3Å; V86-L298 HydrophobicContact CG2-CG 3.95Å; L205-L298 HydrophobicContact CB-CD2 4.37Å; L205-L298 HydrophobicContact CD1-CD2 3.75Å; L205-L298 HydrophobicContact CD2-CD2 4.1Å; L205-L298 HydrophobicContact CG-CD2 4.28Å; L208-L298 HydrophobicContact CD2-CD1 4.39Å; I275-L298 HydrophobicContact CD1-CD1 4.04Å; I275-L298 HydrophobicContact CG2-CD1 4.1Å; I296-L298 HydrophobicContact CD1-CD1 4.33Å; I296-L298 HydrophobicContact CD1-CD2 4.2Å; I296-L298 HydrophobicContact CD1-CG 4.22Å
299L85.7Confident88.9Confident23 Ų2340.5 Ų40.512%0.1221%0.205CC..EExtended strand (participates in β ladder)trans50.665.8169.1-56.3166.7000112.6T228 L231 I232 L240 L301T228-L299 HydrophobicContact CG2-CD1 3.97Å; L231-L299 HydrophobicContact CB-CD1 3.96Å; L231-L299 HydrophobicContact CB-CD2 4.21Å; I232-L299 HydrophobicContact CG1-CD1 3.88Å; L240-L299 HydrophobicContact CD1-CD2 3.72Å; L240-L299 HydrophobicContact CD1-CG 4.46Å; L299-L301 WeakPolarHBondContact O-CG 3.45Å; L299-L301 PolarHBondContact O-N 2.73Å
300P86.8Confident89.1Confident82 Ų8241.2 Ų41.253%0.53222%0.22SC..EExtended strand (participates in β ladder)trans-61.5128172.426.8-32.8000109.6E81E81-P300 WeakPolarHBondContact OE1-CB 3.33Å
301L88.4Confident89.2Confident23 Ų2337 Ų3712%0.1220%0.2CC..EExtended strand (participates in β ladder)trans-135.8140.2-175.8-68.3167.1000111D64 S82 L231 L299 Y303D64-L301 HydrophobicContact CB-CB 4.43Å; D64-L301 HydrophobicContact CB-CD1 4.11Å; S82-L301 PolarHBondContact N-O 3.07Å; S82-L301 PolarHBondContact O-N 3.08Å; L231-L301 HydrophobicContact CD1-CD1 3.59Å; L231-L301 HydrophobicContact CD2-CD1 4.27Å; L231-L301 HydrophobicContact CD2-CD2 4.19Å; L299-L301 WeakPolarHBondContact O-CG 3.45Å; L299-L301 PolarHBondContact O-N 2.73Å; L301-Y303 HydrophobicContact CB-CE2 4.28Å
302W91.6Very high89.1Confident131 Ų13141.5 Ų41.550%0.49623%0.229SC..EExtended strand (participates in β ladder)trans-82.2135.9170.6-73100000110.5D64 V65 P78 E81D64-W302 WeakPolarHBondContact CA-O 3.42Å; V65-W302 HydrophobicContact CG2-CB 4.35Å; V65-W302 WeakPolarHBondContact CG2-O 3.06Å; V65-W302 PolarHBondContact N-O 3.25Å; P78-W302 HydrophobicContact CB-CB 4.05Å; P78-W302 HydrophobicContact CB-CD2 4.07Å; P78-W302 HydrophobicContact CB-CE3 3.57Å; P78-W302 HydrophobicContact CB-CG 4.29Å; P78-W302 HydrophobicContact CB-CZ3 4.36Å; P78-W302 HydrophobicContact CG-CB 4.32Å; E81-W302 HydrophobicContact CB-CD2 4.26Å; E81-W302 HydrophobicContact CB-CE3 3.98Å; E81-W302 HydrophobicContact CB-CH2 4.05Å; E81-W302 HydrophobicContact CB-CZ2 4.29Å; E81-W302 HydrophobicContact CB-CZ3 3.89Å
303Y91.6Very high88.9Confident14 Ų1443.1 Ų43.16%0.05524%0.237CC..EExtended strand (participates in β ladder)trans-106.2127.5174.9-76.3-102.6000110.1I63 D64 L79 F80 S82 Q277 L301I63-Y303 WeakPolarHBondContact O-CA 3.29Å; D64-Y303 HydrophobicContact CB-CE1 4.23Å; L79-Y303 PolarHBondContact N-O 2.94Å; F80-Y303 HydrophobicContact CD2-CD2 4.33Å; F80-Y303 HydrophobicContact CD2-CG 4.39Å; F80-Y303 HydrophobicContact CE2-CD1 4.37Å; F80-Y303 AromaticContact CE2-CD2 3.86Å; F80-Y303 HydrophobicContact CE2-CD2 3.86Å; F80-Y303 AromaticContact CE2-CG 3.69Å; F80-Y303 HydrophobicContact CE2-CG 3.69Å; F80-Y303 HydrophobicContact CZ-CD1 4.34Å; F80-Y303 AromaticContact CZ-CG 3.94Å; F80-Y303 HydrophobicContact CZ-CG 3.94Å; F80-Y303 PolarHBondContact O-N 3.34Å; S82-Y303 VanDerWaalsContact CB-CE2 3.49Å; Q277-Y303 PolarHBondContact NE2-OH 3.02Å; L301-Y303 HydrophobicContact CB-CE2 4.28Å
304A92.1Very high88.5Confident0 Ų043.1 Ų43.10%024%0.239CC..EExtended strand (participates in β ladder)trans-135.9164.3-178.500000110.9A62 I63 V65 Y75A62-A304 WeakPolarHBondContact CA-O 3.11Å; I63-A304 WeakPolarHBondContact CG2-O 3.41Å; I63-A304 PolarHBondContact N-O 3.34Å; I63-A304 PolarHBondContact O-N 3.5Å; V65-A304 HydrophobicContact CG2-CB 3.57Å; Y75-A304 HydrophobicContact CD1-CB 4.06Å; Y75-A304 HydrophobicContact CG-CB 4.46Å
305I92.1Very high88Confident0 Ų048 Ų480%027%0.269CS..EExtended strand (participates in β ladder)trans-82.2123.9173.6-56.1178.3000108.1V11 L15 L58 L59 S76 L79 I325V11-I305 HydrophobicContact CG1-CD1 3.93Å; V11-I305 HydrophobicContact CG1-CG1 4.08Å; L15-I305 HydrophobicContact CD2-CD1 3.97Å; L15-I305 HydrophobicContact CG-CD1 4.29Å; L58-I305 HydrophobicContact CD1-CG2 3.47Å; L58-I305 VanDerWaalsContact CD1-CG2 3.47Å; L58-I305 HydrophobicContact CG-CG2 4.02Å; L59-I305 WeakPolarHBondContact O-CG2 3.01Å; S76-I305 PolarHBondContact N-O 3.2Å; S76-I305 PolarHBondContact OG-N 3.19Å; L79-I305 HydrophobicContact CD1-CD1 4.16Å; L79-I305 HydrophobicContact CD1-CG1 3.82Å; I305-I325 HydrophobicContact CD1-CD1 3.85Å
306G91.7Very high87.7Confident0 Ų046.7 Ų46.70%026%0.258CS..EExtended strand (participates in β ladder)trans-87139.8177.900000112.8L59L59-G306 WeakPolarHBondContact CB-O 3.39Å; L59-G306 WeakPolarHBondContact CG-O 3.36Å; L59-G306 PolarHBondContact N-O 3.3Å
307Y93Very high87.2Confident8 Ų846.5 Ų46.53%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-138.2162.3172.149.4-91.9000112D57 L58 M73 D74 Y75 F311 A314 F317D57-Y307 WeakPolarHBondContact O-CA 3.48Å; D57-Y307 VanDerWaalsContact O-CB 3.31Å; D57-Y307 WeakPolarHBondContact O-CB 3.41Å; L58-Y307 HydrophobicContact CD1-CD1 4.21Å; L58-Y307 HydrophobicContact CD1-CG 4.43Å; M73-Y307 WeakPolarHBondContact CB-O 3.32Å; D74-Y307 HydrophobicContact CB-CD2 3.97Å; D74-Y307 HydrophobicContact CB-CE2 3.41Å; D74-Y307 VanDerWaalsContact CB-CE2 3.41Å; D74-Y307 PolarHBondContact N-O 3.47Å; D74-Y307 PolarHBondContact O-N 2.88Å; Y75-Y307 WeakPolarHBondContact O-CE1 3.48Å; Y75-Y307 PolarHBondContact O-OH 3.49Å; Y307-F311 HydrophobicContact CD2-CB 3.89Å; Y307-F311 HydrophobicContact CD2-CD1 4.21Å; Y307-F311 HydrophobicContact CG-CD1 4.18Å; Y307-A314 HydrophobicContact CD2-CB 4.06Å; Y307-A314 HydrophobicContact CE2-CB 3.47Å; Y307-A314 VanDerWaalsContact CE2-CB 3.47Å; Y307-F317 HydrophobicContact CE1-CB 4.06Å
308R92.4Very high86.5Confident44 Ų4444.3 Ų44.317%0.16625%0.246CC..EExtended strand (participates in β ladder)trans-68.9147.9-177.971.4172.1179.983.7-3.5110.5L51 D57 G310 F311L51-R308 HydrophobicContact CD2-CB 4.11Å; D57-R308 PolarHBondContact O-N 2.91Å; D57-R308 IonicContact OD1-CZ 3.71Å; D57-R308 IonicContact OD1-NE 3.65Å; D57-R308 PolarHBondContact OD1-NE 3.33Å; D57-R308 IonicContact OD1-NH2 3.54Å; D57-R308 PolarHBondContact OD1-NH2 3.46Å; R308-G310 PolarHBondContact NH1-O 3.03Å; R308-G310 PolarHBondContact O-N 2.79Å; R308-F311 HydrophobicContact CG-CB 4.09Å; R308-F311 VanDerWaalsContact O-CB 3.24Å; R308-F311 WeakPolarHBondContact O-CB 3.35Å; R308-F311 PolarHBondContact O-N 3.39Å; R308-F311 VanDerWaalsContact O-N 3.12Å
309R89.2Confident85.2Confident127 Ų12751.9 Ų51.948%0.47928%0.281SS..THydrogen-bonded Turntrans-57.8135.9172.5-87.5-179.1154.8-166.4-11.7111.8L70 S71 D74 F311L70-R309 PolarHBondContact O-NE 3.49Å; L70-R309 PolarHBondContact O-NH1 2.81Å; L70-R309 PolarHBondContact O-NH2 3.4Å; S71-R309 PolarHBondContact O-NH1 3.49Å; D74-R309 WeakPolarHBondContact OD1-CG 3.35Å; D74-R309 IonicContact OD1-NE 3.4Å; D74-R309 PolarHBondContact OD1-NE 3.24Å; D74-R309 WeakPolarHBondContact OD2-CG 3.35Å; R309-F311 VanDerWaalsContact C-N 3.3Å; R309-F311 PolarHBondContact O-N 2.85Å
310G85.9Confident83.4Confident62 Ų6260.7 Ų60.764%0.63931%0.312SS*.THydrogen-bonded Turntrans65.931.3-175.900000113.3R308 P312R308-G310 PolarHBondContact NH1-O 3.03Å; R308-G310 PolarHBondContact O-N 2.79Å; G310-P312 WeakPolarHBondContact O-CD 3.39Å
311F88.2Confident81.4Confident25 Ų2566.4 Ų66.411%0.1133%0.332CS..  trans-65.5121.9171.1178.5-132.5000109.5D57 Y307 R308 R309 L313 A314 F317D57-F311 HydrophobicContact CB-CD2 3.87Å; D57-F311 HydrophobicContact CB-CE2 3.58Å; D57-F311 HydrophobicContact CB-CZ 4.32Å; Y307-F311 HydrophobicContact CD2-CB 3.89Å; Y307-F311 HydrophobicContact CD2-CD1 4.21Å; Y307-F311 HydrophobicContact CG-CD1 4.18Å; R308-F311 HydrophobicContact CG-CB 4.09Å; R308-F311 VanDerWaalsContact O-CB 3.24Å; R308-F311 WeakPolarHBondContact O-CB 3.35Å; R308-F311 PolarHBondContact O-N 3.39Å; R308-F311 VanDerWaalsContact O-N 3.12Å; R309-F311 VanDerWaalsContact C-N 3.3Å; R309-F311 PolarHBondContact O-N 2.85Å; F311-L313 HydrophobicContact CD1-CB 4.21Å; F311-L313 HydrophobicContact CE1-CB 3.64Å; F311-L313 HydrophobicContact CE2-CB 4.36Å; F311-L313 HydrophobicContact CZ-CB 3.73Å; F311-L313 HydrophobicContact CZ-CD1 4.08Å; F311-L313 HydrophobicContact CZ-CG 4.33Å; F311-L313 PolarHBondContact O-N 3.38Å; F311-L313 VanDerWaalsContact O-N 3.1Å; F311-A314 HydrophobicContact CB-CB 4.26Å; F311-A314 HydrophobicContact CD1-CB 4.44Å; F311-A314 WeakPolarHBondContact O-CB 3.11Å; F311-A314 PolarHBondContact O-N 2.86Å; F311-F317 HydrophobicContact CE1-CD2 4.21Å; F311-F317 AromaticContact CE1-CE2 3.81Å; F311-F317 HydrophobicContact CE1-CE2 3.81Å
312P85.7Confident79.8Confident99 Ų9968.3 Ų68.364%0.64336%0.357SS*.THydrogen-bonded Turntrans-58.7-28.4-172.8-28.135.9000114.6G310G310-P312 WeakPolarHBondContact O-CD 3.39Å
313L84.2Confident79Confident64 Ų6462.6 Ų62.634%0.33534%0.336SS..THydrogen-bonded Turntrans-95.88.3179.7-64173.4000112.8I24 F311 T315 L316 F317I24-L313 HydrophobicContact CD1-CD1 3.88Å; F311-L313 HydrophobicContact CD1-CB 4.21Å; F311-L313 HydrophobicContact CE1-CB 3.64Å; F311-L313 HydrophobicContact CE2-CB 4.36Å; F311-L313 HydrophobicContact CZ-CB 3.73Å; F311-L313 HydrophobicContact CZ-CD1 4.08Å; F311-L313 HydrophobicContact CZ-CG 4.33Å; F311-L313 PolarHBondContact O-N 3.38Å; F311-L313 VanDerWaalsContact O-N 3.1Å; L313-T315 PolarHBondContact O-N 3.34Å; L313-T315 VanDerWaalsContact O-N 3.14Å; L313-L316 HydrophobicContact CB-CD1 4.12Å; L313-L316 HydrophobicContact CD2-CD1 3.79Å; L313-L316 HydrophobicContact CG-CD1 4.45Å; L313-L316 WeakPolarHBondContact O-CB 3.42Å; L313-L316 PolarHBondContact O-N 3.44Å; L313-F317 HydrophobicContact CB-CE2 4.36Å; L313-F317 VanDerWaalsContact O-CD2 3.25Å; L313-F317 WeakPolarHBondContact O-CD2 3.21Å
314A82.4Confident78.5Confident18 Ų1864 Ų6415%0.14934%0.344CS..G310 helixtrans-55.2-33.4-177.900000113.1Y307 F311 L316 F317 S318Y307-A314 HydrophobicContact CD2-CB 4.06Å; Y307-A314 HydrophobicContact CE2-CB 3.47Å; Y307-A314 VanDerWaalsContact CE2-CB 3.47Å; F311-A314 HydrophobicContact CB-CB 4.26Å; F311-A314 HydrophobicContact CD1-CB 4.44Å; F311-A314 WeakPolarHBondContact O-CB 3.11Å; F311-A314 PolarHBondContact O-N 2.86Å; A314-L316 PolarHBondContact O-N 2.98Å; A314-L316 VanDerWaalsContact O-N 3.15Å; A314-F317 PolarHBondContact O-N 2.96Å; A314-S318 WeakPolarHBondContact O-CB 3Å; A314-S318 PolarHBondContact O-N 2.89Å
315T79.8Confident78.3Confident102 Ų10264 Ų6463%0.62634%0.344SS*.G310 helixtrans-61.1-22.1178.452.10000113.6L313 F317L313-T315 PolarHBondContact O-N 3.34Å; L313-T315 VanDerWaalsContact O-N 3.14Å; T315-F317 VanDerWaalsContact C-N 3.3Å
316L79.4Confident77.9Confident41 Ų4165.9 Ų65.922%0.21536%0.356CS..G310 helixtrans-77.8-16.7175.6-62.4172.9000113.3L22 L313 A314 N323 L324L22-L316 HydrophobicContact CD1-CD1 3.5Å; L313-L316 HydrophobicContact CB-CD1 4.12Å; L313-L316 HydrophobicContact CD2-CD1 3.79Å; L313-L316 HydrophobicContact CG-CD1 4.45Å; L313-L316 WeakPolarHBondContact O-CB 3.42Å; L313-L316 PolarHBondContact O-N 3.44Å; A314-L316 PolarHBondContact O-N 2.98Å; A314-L316 VanDerWaalsContact O-N 3.15Å; L316-N323 PolarHBondContact O-OD1 2.89Å; L316-L324 PolarHBondContact O-N 3.46Å
317F79.2Confident77.7Confident9 Ų972.7 Ų72.74%0.03938%0.381CS..THydrogen-bonded Turntrans-113.6-16.9-175.2-59.2-84.9000113.2L15 I18 L58 S76 T77 Y307 F311 L313 A314 T315 N323 I325L15-F317 HydrophobicContact CD2-CE1 3.92Å; I18-F317 HydrophobicContact CD1-CE1 3.99Å; I18-F317 HydrophobicContact CG2-CE1 4.46Å; I18-F317 HydrophobicContact CG2-CZ 4.29Å; L58-F317 HydrophobicContact CD2-CZ 4.32Å; S76-F317 WeakPolarHBondContact CA-O 3.38Å; S76-F317 WeakPolarHBondContact CB-O 3.33Å; T77-F317 PolarHBondContact N-O 2.88Å; T77-F317 VanDerWaalsContact N-O 3.11Å; Y307-F317 HydrophobicContact CE1-CB 4.06Å; F311-F317 HydrophobicContact CE1-CD2 4.21Å; F311-F317 AromaticContact CE1-CE2 3.81Å; F311-F317 HydrophobicContact CE1-CE2 3.81Å; L313-F317 HydrophobicContact CB-CE2 4.36Å; L313-F317 VanDerWaalsContact O-CD2 3.25Å; L313-F317 WeakPolarHBondContact O-CD2 3.21Å; A314-F317 PolarHBondContact O-N 2.96Å; T315-F317 VanDerWaalsContact C-N 3.3Å; F317-N323 WeakPolarHBondContact CA-OD1 3.41Å; F317-N323 PolarHBondContact O-ND2 2.78Å; F317-N323 VanDerWaalsContact O-ND2 3.1Å; F317-I325 HydrophobicContact CB-CG1 4.44Å; F317-I325 HydrophobicContact CD1-CD1 3.98Å; F317-I325 HydrophobicContact CD1-CG1 3.67Å; F317-I325 HydrophobicContact CE1-CD1 4.36Å; F317-I325 HydrophobicContact CE1-CG1 4.48Å
318S69.7Low77.6Confident53 Ų5372.9 Ų72.937%0.37138%0.383SS..SBendtrans-109.9151-174.1147.80000112.1A314 R320A314-S318 WeakPolarHBondContact O-CB 3Å; A314-S318 PolarHBondContact O-N 2.89Å; S318-R320 VanDerWaalsContact C-N 3.31Å; S318-R320 PolarHBondContact O-N 2.7Å
319E59.3Low77.4Confident165 Ų16573.5 Ų73.577%0.77139%0.388SS*.SBendtrans-52.260.7-166.4-65.8-173.3149.400118.4
320R49.6Very low77.4Confident207 Ų20774.7 Ų74.778%0.78140%0.4SS*.SBendtrans-125.5147.8162.2-119.8174.9178.9158.9-0.3110.3S318 G322 N323S318-R320 VanDerWaalsContact C-N 3.31Å; S318-R320 PolarHBondContact O-N 2.7Å; R320-G322 PolarHBondContact O-N 2.61Å; R320-G322 VanDerWaalsContact O-N 3.11Å; R320-N323 PolarHBondContact O-N 3.2Å; R320-N323 VanDerWaalsContact O-N 3.07Å
321H44.8Very low77.7Confident203 Ų20375.3 Ų75.394%0.9439%0.391SS*.THydrogen-bonded Turntrans-42.4119.4176.1-72.7112.4000110.4
322G54.9Low77.9Confident63 Ų6375.5 Ų75.565%0.64940%0.4SS*.THydrogen-bonded Turntrans108.15.8-171.500000115.7R320 L324R320-G322 PolarHBondContact O-N 2.61Å; R320-G322 VanDerWaalsContact O-N 3.11Å; G322-L324 PolarHBondContact O-N 2.92Å
323N73.6Confident78.2Confident11 Ų1174.1 Ų74.16%0.05938%0.383CS..  trans-64.2117.2174-175.4-2.3000111.6T77 L316 F317 R320 I325 T326 W327T77-N323 PolarHBondContact OG1-ND2 3.3Å; L316-N323 PolarHBondContact O-OD1 2.89Å; F317-N323 WeakPolarHBondContact CA-OD1 3.41Å; F317-N323 PolarHBondContact O-ND2 2.78Å; F317-N323 VanDerWaalsContact O-ND2 3.1Å; R320-N323 PolarHBondContact O-N 3.2Å; R320-N323 VanDerWaalsContact O-N 3.07Å; N323-I325 VanDerWaalsContact C-N 3.3Å; N323-I325 PolarHBondContact O-N 3.17Å; N323-I325 WeakPolarHBondContact OD1-CB 3.35Å; N323-I325 PolarHBondContact OD1-N 2.9Å; N323-T326 WeakPolarHBondContact CB-OG1 3.21Å; N323-T326 PolarHBondContact ND2-OG1 3.36Å; N323-T326 PolarHBondContact O-N 2.74Å; N323-W327 PolarHBondContact O-N 2.98Å
324L82.1Confident78.5Confident44 Ų4471.3 Ų71.323%0.2337%0.368CS..Hα-helixtrans-68.5-31179.7-70.7167.9000111.8I18 L22 L316 G322 W327 F328I18-L324 HydrophobicContact CD1-CB 4Å; I18-L324 HydrophobicContact CG1-CB 4Å; I18-L324 HydrophobicContact CG1-CD1 4.19Å; I18-L324 HydrophobicContact CG2-CD1 3.88Å; L22-L324 HydrophobicContact CD1-CD1 3.72Å; L22-L324 HydrophobicContact CD2-CD1 4.49Å; L22-L324 HydrophobicContact CG-CD1 4.19Å; L316-L324 PolarHBondContact O-N 3.46Å; G322-L324 PolarHBondContact O-N 2.92Å; L324-W327 WeakPolarHBondContact O-CB 3.35Å; L324-W327 PolarHBondContact O-N 2.94Å; L324-F328 WeakPolarHBondContact O-CD2 3.34Å; L324-F328 PolarHBondContact O-N 2.84Å
325I86.2Confident78.9Confident0 Ų076.3 Ų76.30%039%0.388CS..Hα-helixtrans-66.7-43.3176.3-61.4-63.7000110.8I14 I18 L79 I305 F317 N323 W327 F328 I329I14-I325 HydrophobicContact CG2-CD1 3.56Å; I18-I325 HydrophobicContact CD1-CD1 3.64Å; I18-I325 HydrophobicContact CD1-CG1 4.4Å; L79-I325 HydrophobicContact CD2-CG2 3.54Å; I305-I325 HydrophobicContact CD1-CD1 3.85Å; F317-I325 HydrophobicContact CB-CG1 4.44Å; F317-I325 HydrophobicContact CD1-CD1 3.98Å; F317-I325 HydrophobicContact CD1-CG1 3.67Å; F317-I325 HydrophobicContact CE1-CD1 4.36Å; F317-I325 HydrophobicContact CE1-CG1 4.48Å; N323-I325 VanDerWaalsContact C-N 3.3Å; N323-I325 PolarHBondContact O-N 3.17Å; N323-I325 WeakPolarHBondContact OD1-CB 3.35Å; N323-I325 PolarHBondContact OD1-N 2.9Å; I325-W327 PolarHBondContact O-N 3.35Å; I325-F328 PolarHBondContact O-N 3.18Å; I325-F328 VanDerWaalsContact O-N 3.13Å; I325-I329 HydrophobicContact CG2-CD1 3.99Å; I325-I329 WeakPolarHBondContact O-CG1 3.36Å; I325-I329 PolarHBondContact O-N 2.96Å; I325-I329 VanDerWaalsContact O-N 3.15Å
326T85.6Confident79.6Confident38 Ų3877.7 Ų77.723%0.23339%0.385CS..Hα-helixtrans-58.5-39.8176.3-58.20000111.1N323 F328 I329 E330N323-T326 WeakPolarHBondContact CB-OG1 3.21Å; N323-T326 PolarHBondContact ND2-OG1 3.36Å; N323-T326 PolarHBondContact O-N 2.74Å; T326-F328 PolarHBondContact O-N 2.65Å; T326-I329 WeakPolarHBondContact O-CB 3.41Å; T326-I329 PolarHBondContact O-N 3.15Å; T326-I329 VanDerWaalsContact O-N 3.08Å; T326-E330 HydrophobicContact CG2-CG 4Å; T326-E330 WeakPolarHBondContact CG2-OE1 3.37Å; T326-E330 WeakPolarHBondContact O-CB 3.45Å; T326-E330 WeakPolarHBondContact O-CG 3.4Å; T326-E330 PolarHBondContact O-N 3.45Å
327W86.7Confident80.1Confident143 Ų14376.9 Ų76.954%0.54238%0.383SS..Hα-helixtrans-59.7-42.5175.6-178.284.6000113N323 L324 I325 I329 E330 T331N323-W327 PolarHBondContact O-N 2.98Å; L324-W327 WeakPolarHBondContact O-CB 3.35Å; L324-W327 PolarHBondContact O-N 2.94Å; I325-W327 PolarHBondContact O-N 3.35Å; W327-I329 VanDerWaalsContact C-N 3.27Å; W327-I329 PolarHBondContact O-N 2.96Å; W327-E330 PolarHBondContact O-N 3.47Å; W327-T331 HydrophobicContact CD2-CG2 3.95Å; W327-T331 HydrophobicContact CE3-CG2 4.48Å; W327-T331 HydrophobicContact CG-CG2 4.34Å; W327-T331 HydrophobicContact CH2-CG2 4.38Å; W327-T331 HydrophobicContact CZ2-CG2 3.83Å; W327-T331 WeakPolarHBondContact O-CB 3.4Å; W327-T331 WeakPolarHBondContact O-CG2 3.17Å; W327-T331 PolarHBondContact O-N 2.86Å; W327-T331 PolarHBondContact O-OG1 3.15Å
328F89.8Confident80.5Confident13 Ų1377.8 Ų77.86%0.05739%0.388CS..Hα-helixtrans-65.2-29.7174.8-78.7-78.4000113.1I14 D17 I18 L324 I325 T326 T331 Y333 V334I14-F328 HydrophobicContact CG1-CB 4.45Å; I14-F328 HydrophobicContact CG1-CD1 4.08Å; I14-F328 HydrophobicContact CG1-CD2 4.4Å; I14-F328 HydrophobicContact CG1-CE1 4.41Å; I14-F328 HydrophobicContact CG1-CG 4.07Å; I14-F328 HydrophobicContact CG2-CD2 3.83Å; I14-F328 HydrophobicContact CG2-CE2 4.05Å; I14-F328 HydrophobicContact CG2-CG 4.32Å; D17-F328 HydrophobicContact CB-CZ 3.93Å; I18-F328 HydrophobicContact CD1-CE2 4.32Å; I18-F328 HydrophobicContact CG1-CE2 3.97Å; L324-F328 WeakPolarHBondContact O-CD2 3.34Å; L324-F328 PolarHBondContact O-N 2.84Å; I325-F328 PolarHBondContact O-N 3.18Å; I325-F328 VanDerWaalsContact O-N 3.13Å; T326-F328 PolarHBondContact O-N 2.65Å; F328-T331 WeakPolarHBondContact CA-OG1 3.1Å; F328-T331 PolarHBondContact O-OG1 3.18Å; F328-Y333 AromaticContact CD1-CD1 3.69Å; F328-Y333 HydrophobicContact CD1-CD1 3.69Å; F328-Y333 HydrophobicContact CD1-CD2 4.44Å; F328-Y333 HydrophobicContact CD1-CE1 4.31Å; F328-Y333 AromaticContact CD1-CG 3.78Å; F328-Y333 HydrophobicContact CD1-CG 3.78Å; F328-Y333 HydrophobicContact CE1-CD1 4.36Å; F328-Y333 HydrophobicContact CE1-CG 4.41Å; F328-Y333 WeakPolarHBondContact O-CB 3.33Å; F328-Y333 PolarHBondContact O-N 3.37Å; F328-Y333 VanDerWaalsContact O-N 3.13Å; F328-V334 PolarHBondContact O-N 2.83Å
329I88.9Confident81.4Confident56 Ų5679 Ų7929%0.28739%0.388SS..Hα-helixtrans-74.2-51.1176-63.2163000109.8T77 P78 L79 I325 T326 W327 T331 G332 V334T77-I329 HydrophobicContact CG2-CD1 3.93Å; P78-I329 WeakPolarHBondContact O-CD1 3.4Å; L79-I329 HydrophobicContact CD2-CD1 4.43Å; L79-I329 HydrophobicContact CD2-CG1 4.4Å; I325-I329 HydrophobicContact CG2-CD1 3.99Å; I325-I329 WeakPolarHBondContact O-CG1 3.36Å; I325-I329 PolarHBondContact O-N 2.96Å; I325-I329 VanDerWaalsContact O-N 3.15Å; T326-I329 WeakPolarHBondContact O-CB 3.41Å; T326-I329 PolarHBondContact O-N 3.15Å; T326-I329 VanDerWaalsContact O-N 3.08Å; W327-I329 VanDerWaalsContact C-N 3.27Å; W327-I329 PolarHBondContact O-N 2.96Å; I329-T331 PolarHBondContact O-N 3.4Å; I329-G332 WeakPolarHBondContact O-CA 3.47Å; I329-G332 PolarHBondContact O-N 2.96Å; I329-V334 HydrophobicContact CG1-CG2 4.04Å
330E89.4Confident82.8Confident153 Ų15375 Ų7572%0.71537%0.372SS*.Hα-helixtrans-64.5-36.5-177.1-73.1179.4171.800113.1T326 W327 G332T326-E330 HydrophobicContact CG2-CG 4Å; T326-E330 WeakPolarHBondContact CG2-OE1 3.37Å; T326-E330 WeakPolarHBondContact O-CB 3.45Å; T326-E330 WeakPolarHBondContact O-CG 3.4Å; T326-E330 PolarHBondContact O-N 3.45Å; W327-E330 PolarHBondContact O-N 3.47Å; E330-G332 PolarHBondContact O-N 3.32Å
331T91.9Very high84.3Confident75 Ų7572 Ų7246%0.4636%0.362SS..THydrogen-bonded Turntrans-69.8-7.317453.50000113.2W327 F328 I329 Y333W327-T331 HydrophobicContact CD2-CG2 3.95Å; W327-T331 HydrophobicContact CE3-CG2 4.48Å; W327-T331 HydrophobicContact CG-CG2 4.34Å; W327-T331 HydrophobicContact CH2-CG2 4.38Å; W327-T331 HydrophobicContact CZ2-CG2 3.83Å; W327-T331 WeakPolarHBondContact O-CB 3.4Å; W327-T331 WeakPolarHBondContact O-CG2 3.17Å; W327-T331 PolarHBondContact O-N 2.86Å; W327-T331 PolarHBondContact O-OG1 3.15Å; F328-T331 WeakPolarHBondContact CA-OG1 3.1Å; F328-T331 PolarHBondContact O-OG1 3.18Å; I329-T331 PolarHBondContact O-N 3.4Å; T331-Y333 PolarHBondContact O-N 3.3Å
332G91.9Very high86Confident29 Ų2968 Ų6830%0.29934%0.339SS..THydrogen-bonded Turntrans74.410.6-177.200000113.8I329 E330 V334 Q335 K336I329-G332 WeakPolarHBondContact O-CA 3.47Å; I329-G332 PolarHBondContact O-N 2.96Å; E330-G332 PolarHBondContact O-N 3.32Å; G332-V334 VanDerWaalsContact C-N 3.32Å; G332-V334 PolarHBondContact O-N 3.32Å; G332-Q335 PolarHBondContact O-N 2.76Å; G332-K336 WeakPolarHBondContact O-CB 3.39Å; G332-K336 PolarHBondContact O-N 3.12Å
333Y92.4Very high87.2Confident70 Ų7068.9 Ų68.928%0.27533%0.328SS..Hα-helixtrans-59.1-44.2178.9177.9-88.2000111.4M10 D13 I14 F328 T331 K336 S337M10-Y333 HydrophobicContact CG-CE1 4.45Å; D13-Y333 VanDerWaalsContact CB-OH 3.24Å; D13-Y333 WeakPolarHBondContact CB-OH 3.48Å; I14-Y333 HydrophobicContact CD1-CD1 4.49Å; I14-Y333 HydrophobicContact CD1-CE1 4.46Å; I14-Y333 HydrophobicContact CG1-CD1 4.18Å; I14-Y333 HydrophobicContact CG1-CE1 3.92Å; F328-Y333 AromaticContact CD1-CD1 3.69Å; F328-Y333 HydrophobicContact CD1-CD1 3.69Å; F328-Y333 HydrophobicContact CD1-CD2 4.44Å; F328-Y333 HydrophobicContact CD1-CE1 4.31Å; F328-Y333 AromaticContact CD1-CG 3.78Å; F328-Y333 HydrophobicContact CD1-CG 3.78Å; F328-Y333 HydrophobicContact CE1-CD1 4.36Å; F328-Y333 HydrophobicContact CE1-CG 4.41Å; F328-Y333 WeakPolarHBondContact O-CB 3.33Å; F328-Y333 PolarHBondContact O-N 3.37Å; F328-Y333 VanDerWaalsContact O-N 3.13Å; T331-Y333 PolarHBondContact O-N 3.3Å; Y333-K336 PolarHBondContact O-N 3.05Å; Y333-S337 WeakPolarHBondContact O-CB 3.33Å; Y333-S337 PolarHBondContact O-N 2.76Å
334V91.6Very high87.5Confident5 Ų570.9 Ų70.93%0.0335%0.346CS..Hα-helixtrans-58.6-51.5178.5174.50000110.8M10 I14 L79 F80 F328 I329 G332 K336 S337 I338M10-V334 HydrophobicContact CE-CG1 4.28Å; M10-V334 HydrophobicContact SD-CB 4.4Å; M10-V334 HydrophobicContact SD-CG1 3.79Å; M10-V334 HydrophobicContact SD-CG2 4.42Å; I14-V334 HydrophobicContact CD1-CG2 4.16Å; L79-V334 HydrophobicContact CD2-CG2 4.14Å; L79-V334 WeakPolarHBondContact O-CG1 3.3Å; F80-V334 HydrophobicContact CB-CG1 4.37Å; F80-V334 HydrophobicContact CD1-CG1 4.47Å; F328-V334 PolarHBondContact O-N 2.83Å; I329-V334 HydrophobicContact CG1-CG2 4.04Å; G332-V334 VanDerWaalsContact C-N 3.32Å; G332-V334 PolarHBondContact O-N 3.32Å; V334-K336 VanDerWaalsContact C-N 3.34Å; V334-K336 PolarHBondContact O-N 3.32Å; V334-S337 PolarHBondContact O-N 3.41Å; V334-I338 HydrophobicContact CG1-CD1 4.19Å; V334-I338 WeakPolarHBondContact O-CG1 3.37Å; V334-I338 PolarHBondContact O-N 2.9Å
335Q91Very high87.1Confident122 Ų12270 Ų7057%0.5734%0.341SS*.Hα-helixtrans-62.2-42.6-179.6-174.766.8-4.300111.8G332 I338 Q339G332-Q335 PolarHBondContact O-N 2.76Å; Q335-I338 PolarHBondContact O-N 3.43Å; Q335-Q339 WeakPolarHBondContact O-CB 3.46Å; Q335-Q339 PolarHBondContact O-N 3.39Å
336K93.1Very high86.3Confident131 Ų13171.4 Ų71.457%0.5735%0.353SS*.Hα-helixtrans-61.3-46.1175.6-178.4179.5176.7-178.50111.4G332 Y333 V334 I338 Q339 D340G332-K336 WeakPolarHBondContact O-CB 3.39Å; G332-K336 PolarHBondContact O-N 3.12Å; Y333-K336 PolarHBondContact O-N 3.05Å; V334-K336 VanDerWaalsContact C-N 3.34Å; V334-K336 PolarHBondContact O-N 3.32Å; K336-I338 VanDerWaalsContact C-N 3.35Å; K336-I338 PolarHBondContact O-N 2.97Å; K336-Q339 PolarHBondContact O-N 3.19Å; K336-Q339 VanDerWaalsContact O-N 3.15Å; K336-D340 WeakPolarHBondContact CE-OD2 3.22Å; K336-D340 WeakPolarHBondContact CG-OD2 3.5Å; K336-D340 WeakPolarHBondContact O-CB 3.45Å; K336-D340 VanDerWaalsContact O-CG 3.29Å; K336-D340 PolarHBondContact O-N 2.99Å
337S90.8Very high85.5Confident25 Ų2573.1 Ų73.118%0.17537%0.366CS..Hα-helixtrans-61.6-41.6179.7-172.70000111.9M10 Y333 V334 Y341M10-S337 WeakPolarHBondContact CB-OG 3.33Å; Y333-S337 WeakPolarHBondContact O-CB 3.33Å; Y333-S337 PolarHBondContact O-N 2.76Å; V334-S337 PolarHBondContact O-N 3.41Å; S337-Y341 WeakPolarHBondContact O-CB 3.44Å; S337-Y341 PolarHBondContact O-N 3.17Å
338I87.9Confident84.7Confident28 Ų2873.2 Ų73.214%0.14437%0.37CS..Hα-helixtrans-60.9-47.6172.8-64.4174.3000110.6M10 F80 V334 Q335 K336 Y341 R342M10-I338 HydrophobicContact CE-CB 4.46Å; M10-I338 HydrophobicContact CE-CD1 4.04Å; M10-I338 HydrophobicContact CE-CG1 3.27Å; F80-I338 HydrophobicContact CB-CD1 3.8Å; F80-I338 HydrophobicContact CD1-CD1 4.36Å; F80-I338 HydrophobicContact CG-CD1 4.02Å; V334-I338 HydrophobicContact CG1-CD1 4.19Å; V334-I338 WeakPolarHBondContact O-CG1 3.37Å; V334-I338 PolarHBondContact O-N 2.9Å; Q335-I338 PolarHBondContact O-N 3.43Å; K336-I338 VanDerWaalsContact C-N 3.35Å; K336-I338 PolarHBondContact O-N 2.97Å; I338-Y341 PolarHBondContact O-N 3.25Å; I338-R342 WeakPolarHBondContact O-CG 3.3Å; I338-R342 PolarHBondContact O-N 2.94Å
339Q87.4Confident83.5Confident78 Ų7873.2 Ų73.236%0.36437%0.371SS..Hα-helixtrans-67.2-42.5-177-170.960.629.400112.1Q335 K336 Y341 R342 N343Q335-Q339 WeakPolarHBondContact O-CB 3.46Å; Q335-Q339 PolarHBondContact O-N 3.39Å; K336-Q339 PolarHBondContact O-N 3.19Å; K336-Q339 VanDerWaalsContact O-N 3.15Å; Q339-Y341 VanDerWaalsContact C-N 3.31Å; Q339-Y341 PolarHBondContact O-N 3.38Å; Q339-R342 PolarHBondContact O-N 2.86Å; Q339-N343 PolarHBondContact NE2-OD1 3.04Å; Q339-N343 WeakPolarHBondContact O-CB 3.35Å; Q339-N343 PolarHBondContact O-N 2.89Å; Q339-N343 PolarHBondContact O-ND2 2.87Å
340D88.4Confident82.1Confident82 Ų8274.9 Ų74.944%0.43938%0.38SS..Hα-helixtrans-61.8-41.4176.6-74-15.5000110.7K336 N343 A344K336-D340 WeakPolarHBondContact CE-OD2 3.22Å; K336-D340 WeakPolarHBondContact CG-OD2 3.5Å; K336-D340 WeakPolarHBondContact O-CB 3.45Å; K336-D340 VanDerWaalsContact O-CG 3.29Å; K336-D340 PolarHBondContact O-N 2.99Å; D340-N343 PolarHBondContact O-N 2.85Å; D340-A344 VanDerWaalsContact O-CB 3.25Å; D340-A344 WeakPolarHBondContact O-CB 3.38Å; D340-A344 PolarHBondContact O-N 2.98Å
341Y82.8Confident80.3Confident144 Ų14472.9 Ų72.957%0.56538%0.382SS*.Hα-helixtrans-61.4-46.6173.2-176.6-94.6000111.7I283 S337 I338 Q339 N343 A344 M345I283-Y341 HydrophobicContact CD1-CE1 4.18Å; S337-Y341 WeakPolarHBondContact O-CB 3.44Å; S337-Y341 PolarHBondContact O-N 3.17Å; I338-Y341 PolarHBondContact O-N 3.25Å; Q339-Y341 VanDerWaalsContact C-N 3.31Å; Q339-Y341 PolarHBondContact O-N 3.38Å; Y341-N343 PolarHBondContact O-N 2.86Å; Y341-A344 PolarHBondContact O-N 3.02Å; Y341-M345 HydrophobicContact CE1-SD 4.34Å; Y341-M345 VanDerWaalsContact O-CB 3.29Å; Y341-M345 WeakPolarHBondContact O-CB 3.45Å; Y341-M345 PolarHBondContact O-N 3.42Å
342R79.7Confident78.7Confident119 Ų11970.6 Ų70.645%0.44937%0.37SS..Hα-helixtrans-61.5-42.6176.4-73.5175.4-178.9174.91.1112I338 Q339 M345 A346I338-R342 WeakPolarHBondContact O-CG 3.3Å; I338-R342 PolarHBondContact O-N 2.94Å; Q339-R342 PolarHBondContact O-N 2.86Å; R342-M345 WeakPolarHBondContact O-CB 3.45Å; R342-M345 PolarHBondContact O-N 3.04Å; R342-A346 WeakPolarHBondContact O-CB 3.38Å; R342-A346 PolarHBondContact O-N 3.42Å
343N80Confident76.9Confident81 Ų8172.8 Ų72.843%0.43338%0.384SS..Hα-helixtrans-67.5-44.2179.1-71-14.5000111.7Q339 D340 Y341 M345 A346 S347Q339-N343 PolarHBondContact NE2-OD1 3.04Å; Q339-N343 WeakPolarHBondContact O-CB 3.35Å; Q339-N343 PolarHBondContact O-N 2.89Å; Q339-N343 PolarHBondContact O-ND2 2.87Å; D340-N343 PolarHBondContact O-N 2.85Å; Y341-N343 PolarHBondContact O-N 2.86Å; N343-M345 PolarHBondContact O-N 3.22Å; N343-A346 PolarHBondContact O-N 2.78Å; N343-S347 PolarHBondContact O-N 2.92Å; N343-S347 PolarHBondContact O-OG 3.22Å
344A80.1Confident75.4Confident52 Ų5270.1 Ų70.143%0.4338%0.376SS..Hα-helixtrans-64.8-31.2175.400000112.1D340 Y341 S347 K348D340-A344 VanDerWaalsContact O-CB 3.25Å; D340-A344 WeakPolarHBondContact O-CB 3.38Å; D340-A344 PolarHBondContact O-N 2.98Å; Y341-A344 PolarHBondContact O-N 3.02Å; A344-S347 PolarHBondContact O-OG 3.43Å; A344-K348 WeakPolarHBondContact O-CG 3.43Å
345M73.6Confident73.6Confident27 Ų2774.1 Ų74.113%0.13339%0.391CS..Hα-helixtrans-68.5-51.8170.9-166.9102.5-161.100110.8I283 Y341 R342 N343 S347 K348 L349I283-M345 HydrophobicContact CB-CE 3.65Å; I283-M345 HydrophobicContact CB-SD 4.44Å; I283-M345 HydrophobicContact CD1-CE 3.94Å; I283-M345 HydrophobicContact CD1-SD 3.74Å; I283-M345 HydrophobicContact CG1-CE 3.45Å; I283-M345 VanDerWaalsContact CG1-CE 3.45Å; I283-M345 HydrophobicContact CG1-CG 4.42Å; I283-M345 HydrophobicContact CG1-SD 3.57Å; I283-M345 VanDerWaalsContact CG1-SD 3.57Å; I283-M345 HydrophobicContact CG2-CE 3.18Å; I283-M345 HydrophobicContact CG2-SD 4.39Å; Y341-M345 HydrophobicContact CE1-SD 4.34Å; Y341-M345 VanDerWaalsContact O-CB 3.29Å; Y341-M345 WeakPolarHBondContact O-CB 3.45Å; Y341-M345 PolarHBondContact O-N 3.42Å; R342-M345 WeakPolarHBondContact O-CB 3.45Å; R342-M345 PolarHBondContact O-N 3.04Å; N343-M345 PolarHBondContact O-N 3.22Å; M345-S347 VanDerWaalsContact C-N 3.3Å; M345-S347 PolarHBondContact O-N 2.84Å; M345-K348 WeakPolarHBondContact O-CB 3.43Å; M345-K348 PolarHBondContact O-N 3.36Å; M345-K348 VanDerWaalsContact O-N 3.12Å; M345-L349 HydrophobicContact CG-CD1 3.81Å; M345-L349 WeakPolarHBondContact O-CD1 3.16Å; M345-L349 WeakPolarHBondContact O-CG 3.41Å; M345-L349 PolarHBondContact O-N 3.1Å; M345-L349 VanDerWaalsContact O-N 3.16Å
346A69.2Low71.6Confident29 Ų2970.7 Ų70.724%0.2438%0.379CS..Hα-helixtrans-57.9-41.9-179.600000111.4R342 N343 K348 L349 I350R342-A346 WeakPolarHBondContact O-CB 3.38Å; R342-A346 PolarHBondContact O-N 3.42Å; N343-A346 PolarHBondContact O-N 2.78Å; A346-K348 VanDerWaalsContact C-N 3.3Å; A346-K348 PolarHBondContact O-N 3.43Å; A346-L349 CarbonylContact O-C 3.41Å; A346-L349 WeakPolarHBondContact O-CA 3.48Å; A346-L349 VanDerWaalsContact O-CB 3.29Å; A346-L349 WeakPolarHBondContact O-CB 3.34Å; A346-L349 PolarHBondContact O-N 3.43Å; A346-I350 WeakPolarHBondContact O-CG1 3.28Å; A346-I350 PolarHBondContact O-N 3.02Å
347S69.8Low69.7Low73 Ų7371.9 Ų71.951%0.5139%0.386SS..Hα-helixtrans-62.7-35.2177.766.90000113.1N343 A344 M345 L349N343-S347 PolarHBondContact O-N 2.92Å; N343-S347 PolarHBondContact O-OG 3.22Å; A344-S347 PolarHBondContact O-OG 3.43Å; M345-S347 VanDerWaalsContact C-N 3.3Å; M345-S347 PolarHBondContact O-N 2.84Å; S347-L349 PolarHBondContact O-N 3.02Å
348K69.7Low67.8Low145 Ų14577.3 Ų77.363%0.6341%0.412SS*.Hα-helixtrans-69.9-20.3171.3-71.5-179.3179.3-178.40113.3A344 M345 A346 S351A344-K348 WeakPolarHBondContact O-CG 3.43Å; M345-K348 WeakPolarHBondContact O-CB 3.43Å; M345-K348 PolarHBondContact O-N 3.36Å; M345-K348 VanDerWaalsContact O-N 3.12Å; A346-K348 VanDerWaalsContact C-N 3.3Å; A346-K348 PolarHBondContact O-N 3.43Å; K348-S351 PolarHBondContact O-OG 2.98Å
349L64.7Low65.7Low14 Ų1481.9 Ų81.97%0.07343%0.433CS..Hα-helixtrans-93.3-19.2-179.7-72.8157.2000113A286 R287 M345 A346 S347 S351 S352A286-L349 HydrophobicContact CB-CD1 3.37Å; A286-L349 HydrophobicContact CB-CD2 3.77Å; A286-L349 HydrophobicContact CB-CG 4.16Å; A286-L349 VanDerWaalsContact O-CD2 3.24Å; A286-L349 WeakPolarHBondContact O-CD2 3.23Å; R287-L349 HydrophobicContact CB-CD2 4.2Å; R287-L349 HydrophobicContact CG-CD2 3.55Å; M345-L349 HydrophobicContact CG-CD1 3.81Å; M345-L349 WeakPolarHBondContact O-CD1 3.16Å; M345-L349 WeakPolarHBondContact O-CG 3.41Å; M345-L349 PolarHBondContact O-N 3.1Å; M345-L349 VanDerWaalsContact O-N 3.16Å; A346-L349 CarbonylContact O-C 3.41Å; A346-L349 WeakPolarHBondContact O-CA 3.48Å; A346-L349 VanDerWaalsContact O-CB 3.29Å; A346-L349 WeakPolarHBondContact O-CB 3.34Å; A346-L349 PolarHBondContact O-N 3.43Å; S347-L349 PolarHBondContact O-N 3.02Å; L349-S351 PolarHBondContact O-N 2.94Å; L349-S351 VanDerWaalsContact O-N 3.14Å; L349-S352 WeakPolarHBondContact O-CA 3.21Å; L349-S352 VanDerWaalsContact O-CB 3.3Å; L349-S352 WeakPolarHBondContact O-CB 3.25Å; L349-S352 PolarHBondContact O-N 3.24Å; L349-S352 PolarHBondContact O-OG 3.43Å
350I58.1Low63.6Low91 Ų9184.2 Ų84.247%0.46744%0.442SS..THydrogen-bonded Turntrans-59-26.3177.9-71.8168.2000111.9A346 S352 Y355A346-I350 WeakPolarHBondContact O-CG1 3.28Å; A346-I350 PolarHBondContact O-N 3.02Å; I350-S352 VanDerWaalsContact C-N 3.29Å; I350-Y355 HydrophobicContact CB-CD1 4.42Å; I350-Y355 HydrophobicContact CG1-CD1 3.8Å; I350-Y355 HydrophobicContact CG1-CE1 3.74Å; I350-Y355 HydrophobicContact CG1-CG 4.46Å
351S53.2Low61.6Low110 Ų11084.1 Ų84.177%0.76946%0.46SS*.THydrogen-bonded Turntrans-78.1-11.4173.161.10000114K348 L349K348-S351 PolarHBondContact O-OG 2.98Å; L349-S351 PolarHBondContact O-N 2.94Å; L349-S351 VanDerWaalsContact O-N 3.14Å
352S57Low60Low28 Ų2885.1 Ų85.120%0.19646%0.464CS..SBendtrans-83.6130.6174.274.50000109.8L349 I350 C354 Y355L349-S352 WeakPolarHBondContact O-CA 3.21Å; L349-S352 VanDerWaalsContact O-CB 3.3Å; L349-S352 WeakPolarHBondContact O-CB 3.25Å; L349-S352 PolarHBondContact O-N 3.24Å; L349-S352 PolarHBondContact O-OG 3.43Å; I350-S352 VanDerWaalsContact C-N 3.29Å; S352-C354 PolarHBondContact O-N 2.95Å; S352-Y355 PolarHBondContact O-N 2.91Å; S352-Y355 VanDerWaalsContact O-N 3.16Å
353A55.2Low58.8Low74 Ų7488.3 Ų88.361%0.61248%0.484SS*.Hα-helixtrans-52.2-25.5-179.900000113.2V356 Q357A353-V356 PolarHBondContact O-N 3.49Å; A353-Q357 PolarHBondContact O-N 3.26Å; A353-Q357 VanDerWaalsContact O-N 3.07Å
354C60.4Low57.9Low14 Ų1489 Ų8910%0.09549%0.491CS..Hα-helixtrans-57.5-51.1177.4-131.40000114.5C289 S352 V356 Q357 L358C289-C354 WeakPolarHBondContact CA-SG 3.32Å; C289-C354 HydrophobicContact CB-CB 4.31Å; C289-C354 WeakPolarHBondContact CB-SG 3.24Å; C289-C354 WeakPolarHBondContact SG-CA 3.38Å; C289-C354 WeakPolarHBondContact SG-CB 3.34Å; C289-C354 CovalentContact SG-SG 2.02Å; C289-C354 PolarHBondContact SG-SG 3.11Å; S352-C354 PolarHBondContact O-N 2.95Å; C354-V356 PolarHBondContact O-N 3.26Å; C354-Q357 PolarHBondContact O-N 3.45Å; C354-L358 PolarHBondContact O-N 3.3Å; C354-L358 VanDerWaalsContact O-N 3.09Å
355Y53.4Low57.2Low89 Ų8991.3 Ų91.335%0.34950%0.502SS..Hα-helixtrans-67.3-34.5-176.1-175.6-90.9000110.4I350 S352 L358 H359I350-Y355 HydrophobicContact CB-CD1 4.42Å; I350-Y355 HydrophobicContact CG1-CD1 3.8Å; I350-Y355 HydrophobicContact CG1-CE1 3.74Å; I350-Y355 HydrophobicContact CG1-CG 4.46Å; S352-Y355 PolarHBondContact O-N 2.91Å; S352-Y355 VanDerWaalsContact O-N 3.16Å; Y355-L358 PolarHBondContact O-N 2.88Å; Y355-H359 AromaticContact CD2-CD2 3.86Å; Y355-H359 HydrophobicContact CE1-CB 4.2Å; Y355-H359 AromaticContact CE2-CD2 3.43Å; Y355-H359 VanDerWaalsContact CE2-CD2 3.43Å; Y355-H359 WeakPolarHBondContact CE2-CD2 3.33Å; Y355-H359 AromaticContact CZ-CD2 3.71Å; Y355-H359 WeakPolarHBondContact O-CB 3.24Å; Y355-H359 PolarHBondContact O-N 3.11Å
356V49.7Very low57Low51 Ų5193.5 Ų93.531%0.30951%0.514SS..Hα-helixtrans-65.5-44.1175.8176.60000111.1A353 C354 L358 K360 Y362A353-V356 PolarHBondContact O-N 3.49Å; C354-V356 PolarHBondContact O-N 3.26Å; V356-L358 PolarHBondContact O-N 3.05Å; V356-K360 HydrophobicContact CG1-CB 4.21Å; V356-K360 HydrophobicContact CG1-CD 4.13Å; V356-K360 WeakPolarHBondContact O-CA 3.4Å; V356-K360 WeakPolarHBondContact O-CB 3.48Å; V356-K360 PolarHBondContact O-N 3.32Å; V356-Y362 HydrophobicContact CG1-CE2 4.49Å
357Q52Low57.2Low156 Ų15695.8 Ų95.873%0.72952%0.522SS*.Hα-helixtrans-64.7-36.7176.3-85.3178.3-47.600113.5A353 C354A353-Q357 PolarHBondContact O-N 3.26Å; A353-Q357 VanDerWaalsContact O-N 3.07Å; C354-Q357 PolarHBondContact O-N 3.45Å
358L50.7Low57.7Low138 Ų13898 Ų9872%0.72353%0.528SS*.Hα-helixtrans-79.1-29-178.3-116.6113.3000113.9C354 Y355 V356C354-L358 PolarHBondContact O-N 3.3Å; C354-L358 VanDerWaalsContact O-N 3.09Å; Y355-L358 PolarHBondContact O-N 2.88Å; V356-L358 PolarHBondContact O-N 3.05Å
359H45.6Very low57.8Low125 Ų12595.6 Ų95.658%0.57952%0.521SS*.Hα-helixtrans-121.7-22.3-170.1-81.9-66.9000115.9Y355 G361Y355-H359 AromaticContact CD2-CD2 3.86Å; Y355-H359 HydrophobicContact CE1-CB 4.2Å; Y355-H359 AromaticContact CE2-CD2 3.43Å; Y355-H359 VanDerWaalsContact CE2-CD2 3.43Å; Y355-H359 WeakPolarHBondContact CE2-CD2 3.33Å; Y355-H359 AromaticContact CZ-CD2 3.71Å; Y355-H359 WeakPolarHBondContact O-CB 3.24Å; Y355-H359 PolarHBondContact O-N 3.11Å; H359-G361 PolarHBondContact O-N 2.82Å
360K42.8Very low58.1Low127 Ų12796.6 Ų96.655%0.55253%0.526SS*.SBendtrans-89.9106162.4-77.6-172.1173.5177.50106.1V356 Y362V356-K360 HydrophobicContact CG1-CB 4.21Å; V356-K360 HydrophobicContact CG1-CD 4.13Å; V356-K360 WeakPolarHBondContact O-CA 3.4Å; V356-K360 WeakPolarHBondContact O-CB 3.48Å; V356-K360 PolarHBondContact O-N 3.32Å; K360-Y362 HydrophobicContact CB-CD2 3.86Å; K360-Y362 HydrophobicContact CB-CE2 4.32Å; K360-Y362 HydrophobicContact CD-CD2 4.3Å; K360-Y362 HydrophobicContact CD-CE2 3.89Å; K360-Y362 PolarHBondContact O-N 3.14Å
361G46.8Very low59Low79 Ų7995.1 Ų95.181%0.81452%0.519SS*.  trans-59.871.5158.700000109.1H359 E363H359-G361 PolarHBondContact O-N 2.82Å; G361-E363 PolarHBondContact O-N 2.96Å; G361-E363 VanDerWaalsContact O-N 3.11Å
362Y48.3Very low60.4Low165 Ų16592.9 Ų92.965%0.64750%0.496SS*.  trans-63.9112.1163.7-105.5-85.5000104.4V356 K360 T364V356-Y362 HydrophobicContact CG1-CE2 4.49Å; K360-Y362 HydrophobicContact CB-CD2 3.86Å; K360-Y362 HydrophobicContact CB-CE2 4.32Å; K360-Y362 HydrophobicContact CD-CD2 4.3Å; K360-Y362 HydrophobicContact CD-CE2 3.89Å; K360-Y362 PolarHBondContact O-N 3.14Å; Y362-T364 PolarHBondContact O-N 2.81Å
363E54.9Low61.5Low186 Ų18691.8 Ų91.887%0.86949%0.489SS*.  trans-54.694.2167-64179.4173.700106.8G361G361-E363 PolarHBondContact O-N 2.96Å; G361-E363 VanDerWaalsContact O-N 3.11Å
364T59.8Low62.8Low95 Ų9592 Ų9258%0.58348%0.479SS*.PPolyproline II helixtrans-70.2122.8173.946.30000106.3Y362 L366Y362-T364 PolarHBondContact O-N 2.81Å; T364-L366 PolarHBondContact O-N 3.43Å
365P67.4Low64.1Low101 Ų10197.6 Ų97.666%0.65650%0.502SS*.PPolyproline II helixtrans-59142.9175.626.9-33.9000108.6N367P365-N367 PolarHBondContact O-N 3.29Å
366L69.2Low65.8Low74 Ų74100.2 Ų100.239%0.38751%0.511SS..PPolyproline II helixtrans-61.3124.1-178.2-158.472.4000109.5L193 T364 E370 L371L193-L366 HydrophobicContact CD1-CD1 4.29Å; L193-L366 HydrophobicContact CD1-CD2 4.44Å; L193-L366 HydrophobicContact CD2-CD1 3.71Å; L193-L366 HydrophobicContact CG-CD1 4.44Å; T364-L366 PolarHBondContact O-N 3.43Å; L366-E370 HydrophobicContact CD1-CB 4.19Å; L366-E370 VanDerWaalsContact CD1-OE2 3.23Å; L366-E370 WeakPolarHBondContact CD1-OE2 3.31Å; L366-E370 HydrophobicContact CG-CB 4.3Å; L366-L371 HydrophobicContact CB-CD1 4.5Å; L366-L371 HydrophobicContact CD2-CD1 3.76Å; L366-L371 HydrophobicContact CD2-CD2 3.56Å; L366-L371 HydrophobicContact CD2-CG 3.48Å; L366-L371 VanDerWaalsContact CD2-CG 3.48Å; L366-L371 HydrophobicContact CG-CD1 4.23Å; L366-L371 HydrophobicContact CG-CG 4.06Å
367N73.2Confident67.6Low76 Ų76102.5 Ų102.541%0.40652%0.521SS..PPolyproline II helixtrans-86.7159.3-174.1-82.1-24.4000111.8P365 D369 E370 L371P365-N367 PolarHBondContact O-N 3.29Å; N367-D369 PolarHBondContact O-N 3.32Å; N367-E370 PolarHBondContact N-OE2 2.79Å; N367-E370 WeakPolarHBondContact O-CB 3.36Å; N367-E370 PolarHBondContact O-N 3.42Å; N367-L371 PolarHBondContact O-N 3.44Å
368L78.8Confident69.4Low121 Ų121100.7 Ų100.763%0.63451%0.512SS*.Hα-helixtrans-57.9-35.6177.8-172.168.4000111.9E370 L371 Q372 F375L368-E370 PolarHBondContact O-N 3.49Å; L368-L371 PolarHBondContact O-N 2.95Å; L368-L371 VanDerWaalsContact O-N 3.16Å; L368-Q372 WeakPolarHBondContact O-CB 3.49Å; L368-Q372 PolarHBondContact O-N 2.98Å; L368-F375 HydrophobicContact CD1-CD2 4.47Å; L368-F375 HydrophobicContact CD1-CE2 3.96Å
369D72.4Confident71.5Confident93 Ų9398.6 Ų98.650%0.49750%0.501SS..Hα-helixtrans-62.6-28.8178.6-61-25.5000112.8N367 Q372N367-D369 PolarHBondContact O-N 3.32Å; D369-Q372 WeakPolarHBondContact O-CG 3.33Å; D369-Q372 PolarHBondContact O-NE2 2.85Å
370E72Confident73.8Confident35 Ų3597.3 Ų97.316%0.16450%0.498CS..Hα-helixtrans-83.1-31.6177.6-69.3155.6-169.300111.2K95 L366 N367 L368K95-E370 IonicContact NZ-OE1 3.67Å; K95-E370 PolarHBondContact NZ-OE1 3.3Å; L366-E370 HydrophobicContact CD1-CB 4.19Å; L366-E370 VanDerWaalsContact CD1-OE2 3.23Å; L366-E370 WeakPolarHBondContact CD1-OE2 3.31Å; L366-E370 HydrophobicContact CG-CB 4.3Å; N367-E370 PolarHBondContact N-OE2 2.79Å; N367-E370 WeakPolarHBondContact O-CB 3.36Å; N367-E370 PolarHBondContact O-N 3.42Å; L368-E370 PolarHBondContact O-N 3.49Å
371L76.3Confident76.2Confident61 Ų6193.1 Ų93.132%0.31949%0.491SS..Hα-helixtrans-92.3-12.8-178.6-78.7168.7000115.1L366 N367 L368 G373 I374 F375L366-L371 HydrophobicContact CB-CD1 4.5Å; L366-L371 HydrophobicContact CD2-CD1 3.76Å; L366-L371 HydrophobicContact CD2-CD2 3.56Å; L366-L371 HydrophobicContact CD2-CG 3.48Å; L366-L371 VanDerWaalsContact CD2-CG 3.48Å; L366-L371 HydrophobicContact CG-CD1 4.23Å; L366-L371 HydrophobicContact CG-CG 4.06Å; N367-L371 PolarHBondContact O-N 3.44Å; L368-L371 PolarHBondContact O-N 2.95Å; L368-L371 VanDerWaalsContact O-N 3.16Å; L371-G373 PolarHBondContact O-N 3.38Å; L371-I374 HydrophobicContact CD2-CD1 3.66Å; L371-I374 PolarHBondContact O-N 2.97Å; L371-F375 HydrophobicContact CB-CE2 4.38Å
372Q82Confident78.6Confident63 Ų6394 Ų9429%0.29448%0.477SS..Hα-helixtrans-55.1-30.1-171.665.4-176.7-40.400114.3N97 L368 D369 I374 F375 W376N97-Q372 PolarHBondContact O-NE2 3.32Å; N97-Q372 VanDerWaalsContact O-NE2 3.11Å; L368-Q372 WeakPolarHBondContact O-CB 3.49Å; L368-Q372 PolarHBondContact O-N 2.98Å; D369-Q372 WeakPolarHBondContact O-CG 3.33Å; D369-Q372 PolarHBondContact O-NE2 2.85Å; Q372-I374 PolarHBondContact O-N 3.27Å; Q372-F375 PolarHBondContact O-N 3.47Å; Q372-F375 VanDerWaalsContact O-N 3.16Å; Q372-W376 PolarHBondContact O-N 3.41Å; Q372-W376 VanDerWaalsContact O-N 3.08Å
373G81.1Confident80.8Confident4 Ų488.6 Ų88.64%0.04146%0.463CS..Hα-helixtrans-57.7-34.6177.700000113.4F99 L371 W376 L377F99-G373 WeakPolarHBondContact CE1-O 3.43Å; F99-G373 WeakPolarHBondContact CZ-O 3.46Å; L371-G373 PolarHBondContact O-N 3.38Å; G373-W376 PolarHBondContact O-N 3.34Å; G373-L377 WeakPolarHBondContact O-CB 3.38Å; G373-L377 PolarHBondContact O-N 2.95Å
374I83Confident82.8Confident80 Ų8083.8 Ų83.841%0.4144%0.442SS..Hα-helixtrans-67.2-43178.5-55.7177.3000110.5L102 L371 Q372 L377 Q378L102-I374 HydrophobicContact CD1-CG1 3.59Å; L102-I374 HydrophobicContact CD2-CD1 4.27Å; L102-I374 HydrophobicContact CD2-CG1 4.13Å; L102-I374 HydrophobicContact CG-CG1 4.43Å; L371-I374 HydrophobicContact CD2-CD1 3.66Å; L371-I374 PolarHBondContact O-N 2.97Å; Q372-I374 PolarHBondContact O-N 3.27Å; I374-L377 PolarHBondContact O-N 2.88Å; I374-Q378 PolarHBondContact O-N 3.43Å
375F87.4Confident84.5Confident130 Ų13082.8 Ų82.857%0.5744%0.439SS*.Hα-helixtrans-65.9-40.2179.1-63.8-73000111.7L368 L371 Q372 Q378 L379L368-F375 HydrophobicContact CD1-CD2 4.47Å; L368-F375 HydrophobicContact CD1-CE2 3.96Å; L371-F375 HydrophobicContact CB-CE2 4.38Å; Q372-F375 PolarHBondContact O-N 3.47Å; Q372-F375 VanDerWaalsContact O-N 3.16Å; F375-Q378 PolarHBondContact O-N 3.02Å; F375-L379 WeakPolarHBondContact O-CB 3.44Å; F375-L379 PolarHBondContact O-N 3.33Å
376W88.4Confident85.9Confident144 Ų14481.5 Ų81.555%0.54543%0.432SS..Hα-helixtrans-65.3-39.6174.3-75.1117.5000112.6F99 Q372 G373 Q378 L379 L380F99-W376 HydrophobicContact CE1-CB 4.44Å; F99-W376 HydrophobicContact CE2-CB 3.53Å; F99-W376 HydrophobicContact CE2-CG 4.21Å; F99-W376 HydrophobicContact CZ-CB 3.31Å; F99-W376 HydrophobicContact CZ-CG 4.42Å; Q372-W376 PolarHBondContact O-N 3.41Å; Q372-W376 VanDerWaalsContact O-N 3.08Å; G373-W376 PolarHBondContact O-N 3.34Å; W376-Q378 VanDerWaalsContact C-N 3.34Å; W376-Q378 PolarHBondContact O-N 3.39Å; W376-L379 HydrophobicContact CZ3-CD1 4.48Å; W376-L379 PolarHBondContact O-N 3.13Å; W376-L380 WeakPolarHBondContact O-CB 3.48Å; W376-L380 PolarHBondContact O-N 2.95Å
377L87.1Confident87.2Confident99 Ų9982.8 Ų82.852%0.51844%0.438SS..Hα-helixtrans-61.4-44.2175.2-168.668.1000111.3F99 G373 I374 L380 G381F99-L377 HydrophobicContact CE1-CB 3.86Å; F99-L377 HydrophobicContact CE1-CD1 4.14Å; F99-L377 HydrophobicContact CZ-CB 4.49Å; G373-L377 WeakPolarHBondContact O-CB 3.38Å; G373-L377 PolarHBondContact O-N 2.95Å; I374-L377 PolarHBondContact O-N 2.88Å; L377-L380 PolarHBondContact O-N 3.12Å; L377-G381 PolarHBondContact O-N 2.94Å
378Q90.9Very high88.3Confident118 Ų11883.2 Ų83.255%0.55144%0.44SS*.Hα-helixtrans-62.8-43.8177.3-176.562.520.100111.4I374 F375 W376 L380 G381 L382I374-Q378 PolarHBondContact O-N 3.43Å; F375-Q378 PolarHBondContact O-N 3.02Å; W376-Q378 VanDerWaalsContact C-N 3.34Å; W376-Q378 PolarHBondContact O-N 3.39Å; Q378-L380 VanDerWaalsContact C-N 3.34Å; Q378-L380 PolarHBondContact O-N 2.93Å; Q378-G381 PolarHBondContact O-N 2.85Å; Q378-L382 HydrophobicContact CG-CD1 4.26Å; Q378-L382 WeakPolarHBondContact O-CG 3.47Å; Q378-L382 PolarHBondContact O-N 3.1Å
379L93.8Very high89.1Confident94 Ų9484 Ų8449%0.49244%0.439SS..Hα-helixtrans-64.1-41.3179-161.6151.4000111F375 W376 S383F375-L379 WeakPolarHBondContact O-CB 3.44Å; F375-L379 PolarHBondContact O-N 3.33Å; W376-L379 HydrophobicContact CZ3-CD1 4.48Å; W376-L379 PolarHBondContact O-N 3.13Å; L379-S383 WeakPolarHBondContact O-CB 3.4Å; L379-S383 PolarHBondContact O-N 3.37Å; L379-S383 PolarHBondContact O-OG 3.08Å
380L93.4Very high90.2Very high98 Ų9884.5 Ų84.551%0.51344%0.44SS..Hα-helixtrans-60.3-47.8172.7-175.376.7000111.4W376 L377 Q378 L382 S383 I384W376-L380 WeakPolarHBondContact O-CB 3.48Å; W376-L380 PolarHBondContact O-N 2.95Å; L377-L380 PolarHBondContact O-N 3.12Å; Q378-L380 VanDerWaalsContact C-N 3.34Å; Q378-L380 PolarHBondContact O-N 2.93Å; L380-L382 PolarHBondContact O-N 2.78Å; L380-S383 WeakPolarHBondContact O-CB 3.32Å; L380-S383 PolarHBondContact O-N 2.85Å; L380-I384 HydrophobicContact CD1-CD1 4.46Å; L380-I384 HydrophobicContact CD2-CD1 4.46Å; L380-I384 HydrophobicContact CG-CD1 3.99Å; L380-I384 WeakPolarHBondContact O-CG1 3.28Å; L380-I384 PolarHBondContact O-N 3.13Å
381G94Very high91.3Very high39 Ų3988.1 Ų88.140%0.40246%0.46SS..Hα-helixtrans-60.8-45.1179.500000113L377 Q378 S383 I384 S385L377-G381 PolarHBondContact O-N 2.94Å; Q378-G381 PolarHBondContact O-N 2.85Å; G381-S383 VanDerWaalsContact C-N 3.32Å; G381-S383 PolarHBondContact O-N 3.15Å; G381-I384 PolarHBondContact O-N 3.34Å; G381-S385 WeakPolarHBondContact O-CB 3.48Å; G381-S385 PolarHBondContact O-N 3.11Å
382L96.7Very high92.1Very high97 Ų9791.2 Ų91.251%0.50847%0.473SS..Hα-helixtrans-62.3-40.9175-72172.5000111.7Q378 L380 S385 C386Q378-L382 HydrophobicContact CG-CD1 4.26Å; Q378-L382 WeakPolarHBondContact O-CG 3.47Å; Q378-L382 PolarHBondContact O-N 3.1Å; L380-L382 PolarHBondContact O-N 2.78Å; L382-S385 PolarHBondContact O-N 3.41Å; L382-C386 PolarHBondContact O-N 3.36Å; L382-C386 PolarHBondContact O-SG 3.45Å; L382-C386 VanDerWaalsContact O-SG 3.39Å
383S96.2Very high92.7Very high52 Ų5292.4 Ų92.436%0.36448%0.478SS..Hα-helixtrans-63-46.7178.4-56.90000111.6L379 L380 G381 S385 C386 I387L379-S383 WeakPolarHBondContact O-CB 3.4Å; L379-S383 PolarHBondContact O-N 3.37Å; L379-S383 PolarHBondContact O-OG 3.08Å; L380-S383 WeakPolarHBondContact O-CB 3.32Å; L380-S383 PolarHBondContact O-N 2.85Å; G381-S383 VanDerWaalsContact C-N 3.32Å; G381-S383 PolarHBondContact O-N 3.15Å; S383-S385 VanDerWaalsContact C-N 3.34Å; S383-S385 PolarHBondContact O-N 3.38Å; S383-C386 PolarHBondContact O-N 3.34Å; S383-I387 VanDerWaalsContact O-CG1 3.28Å; S383-I387 WeakPolarHBondContact O-CG1 3.49Å; S383-I387 PolarHBondContact O-N 2.98Å
384I96Very high93.3Very high85 Ų8595.7 Ų95.744%0.43650%0.497SS..Hα-helixtrans-61.6-43.9176.6-67.3168.1000110.4L380 G381 C386 I387 I388L380-I384 HydrophobicContact CD1-CD1 4.46Å; L380-I384 HydrophobicContact CD2-CD1 4.46Å; L380-I384 HydrophobicContact CG-CD1 3.99Å; L380-I384 WeakPolarHBondContact O-CG1 3.28Å; L380-I384 PolarHBondContact O-N 3.13Å; G381-I384 PolarHBondContact O-N 3.34Å; I384-C386 PolarHBondContact O-N 2.83Å; I384-I387 PolarHBondContact O-N 3.43Å; I384-I388 HydrophobicContact CG2-CD1 3.79Å; I384-I388 HydrophobicContact CG2-CG1 4.39Å; I384-I388 WeakPolarHBondContact O-CG1 3.2Å; I384-I388 PolarHBondContact O-N 2.89Å
385S95.9Very high93.7Very high74 Ų74100.9 Ų100.952%0.51751%0.512SS..Hα-helixtrans-60.6-45.6177.4-178.30000112.1G381 L382 S383 I387 I388 F389G381-S385 WeakPolarHBondContact O-CB 3.48Å; G381-S385 PolarHBondContact O-N 3.11Å; L382-S385 PolarHBondContact O-N 3.41Å; S383-S385 VanDerWaalsContact C-N 3.34Å; S383-S385 PolarHBondContact O-N 3.38Å; S385-I387 VanDerWaalsContact C-N 3.33Å; S385-I387 PolarHBondContact O-N 2.99Å; S385-I388 PolarHBondContact O-N 3.3Å; S385-F389 WeakPolarHBondContact O-CB 3.35Å; S385-F389 PolarHBondContact O-N 3.19Å
386C96.7Very high93.9Very high75 Ų7597.5 Ų97.551%0.50750%0.504SS..Hα-helixtrans-60.6-41.3175.4-74.10000112.3L382 S383 I384 F389 I390L382-C386 PolarHBondContact O-N 3.36Å; L382-C386 PolarHBondContact O-SG 3.45Å; L382-C386 VanDerWaalsContact O-SG 3.39Å; S383-C386 PolarHBondContact O-N 3.34Å; I384-C386 PolarHBondContact O-N 2.83Å; C386-F389 PolarHBondContact O-N 2.75Å; C386-I390 VanDerWaalsContact O-CG1 3.27Å; C386-I390 WeakPolarHBondContact O-CG1 3.26Å; C386-I390 PolarHBondContact O-N 2.97Å
387I96.2Very high93.9Very high100 Ų10098.6 Ų98.651%0.51351%0.508SS..Hα-helixtrans-63.9-47.5177.6-68.4164.7000110.7S383 I384 S385 F389 I390 L391S383-I387 VanDerWaalsContact O-CG1 3.28Å; S383-I387 WeakPolarHBondContact O-CG1 3.49Å; S383-I387 PolarHBondContact O-N 2.98Å; I384-I387 PolarHBondContact O-N 3.43Å; S385-I387 VanDerWaalsContact C-N 3.33Å; S385-I387 PolarHBondContact O-N 2.99Å; I387-F389 VanDerWaalsContact C-N 3.32Å; I387-F389 PolarHBondContact O-N 3.33Å; I387-I390 PolarHBondContact O-N 3.42Å; I387-L391 HydrophobicContact CG2-CD1 4Å; I387-L391 HydrophobicContact CG2-CG 4.44Å; I387-L391 WeakPolarHBondContact O-CG 3.43Å; I387-L391 PolarHBondContact O-N 3.5Å
388I95.3Very high93.9Very high86 Ų8698.5 Ų98.544%0.44151%0.508SS..Hα-helixtrans-61.1-43.5178.6-67.9171.6000110.5I384 S385 I390 L391 E392I384-I388 HydrophobicContact CG2-CD1 3.79Å; I384-I388 HydrophobicContact CG2-CG1 4.39Å; I384-I388 WeakPolarHBondContact O-CG1 3.2Å; I384-I388 PolarHBondContact O-N 2.89Å; S385-I388 PolarHBondContact O-N 3.3Å; I388-I390 PolarHBondContact O-N 3Å; I388-L391 PolarHBondContact O-N 3.49Å; I388-E392 HydrophobicContact CG2-CG 4.39Å; I388-E392 PolarHBondContact O-N 2.72Å
389F95.7Very high93.7Very high138 Ų13896 Ų9661%0.60550%0.501SS*.Hα-helixtrans-59-44.4176.8176.3-101.8000112.5S385 C386 I387 L391 E392 H393S385-F389 WeakPolarHBondContact O-CB 3.35Å; S385-F389 PolarHBondContact O-N 3.19Å; C386-F389 PolarHBondContact O-N 2.75Å; I387-F389 VanDerWaalsContact C-N 3.32Å; I387-F389 PolarHBondContact O-N 3.33Å; F389-L391 VanDerWaalsContact C-N 3.35Å; F389-L391 PolarHBondContact O-N 3.23Å; F389-E392 PolarHBondContact O-N 3.1Å; F389-H393 WeakPolarHBondContact O-CB 3.43Å; F389-H393 PolarHBondContact O-N 2.96Å
390I95.7Very high93.2Very high103 Ų10394.6 Ų94.653%0.52850%0.496SS..Hα-helixtrans-62.6-43.9176.4-67.9164.8000110.4C386 I387 I388 H393 V394C386-I390 VanDerWaalsContact O-CG1 3.27Å; C386-I390 WeakPolarHBondContact O-CG1 3.26Å; C386-I390 PolarHBondContact O-N 2.97Å; I387-I390 PolarHBondContact O-N 3.42Å; I388-I390 PolarHBondContact O-N 3Å; I390-H393 PolarHBondContact O-N 3.42Å; I390-V394 HydrophobicContact CG2-CG2 4.4Å; I390-V394 WeakPolarHBondContact O-CB 3.25Å; I390-V394 VanDerWaalsContact O-CG2 3.29Å; I390-V394 WeakPolarHBondContact O-CG2 3.35Å; I390-V394 PolarHBondContact O-N 2.94Å
391L95.3Very high92.6Very high110 Ų11096.4 Ų96.458%0.57650%0.496SS*.Hα-helixtrans-63.3-42.9178.7-70.7173.2000112.3I387 I388 F389 V394 R395I387-L391 HydrophobicContact CG2-CD1 4Å; I387-L391 HydrophobicContact CG2-CG 4.44Å; I387-L391 WeakPolarHBondContact O-CG 3.43Å; I387-L391 PolarHBondContact O-N 3.5Å; I388-L391 PolarHBondContact O-N 3.49Å; F389-L391 VanDerWaalsContact C-N 3.35Å; F389-L391 PolarHBondContact O-N 3.23Å; L391-V394 PolarHBondContact O-N 3.02Å; L391-R395 VanDerWaalsContact O-CB 3.27Å; L391-R395 WeakPolarHBondContact O-CB 3.43Å; L391-R395 PolarHBondContact O-N 2.96Å
392E94.2Very high91.7Very high127 Ų127103.7 Ų103.759%0.59351%0.511SS*.Hα-helixtrans-64.3-41.6175.2-75.6-173.5168.800111.8I388 F389 R395 S396I388-E392 HydrophobicContact CG2-CG 4.39Å; I388-E392 PolarHBondContact O-N 2.72Å; F389-E392 PolarHBondContact O-N 3.1Å; E392-R395 PolarHBondContact O-N 3.15Å; E392-S396 WeakPolarHBondContact O-CB 3.11Å; E392-S396 PolarHBondContact O-N 3.14Å
393H92.7Very high90.8Very high87 Ų87106.8 Ų106.840%0.40352%0.523SS..Hα-helixtrans-63.3-44.6177.1-167.376000111.9F389 I390 S396 R397F389-H393 WeakPolarHBondContact O-CB 3.43Å; F389-H393 PolarHBondContact O-N 2.96Å; I390-H393 PolarHBondContact O-N 3.42Å; H393-S396 PolarHBondContact O-N 3Å; H393-R397 PolarHBondContact NE2-NE 3.44Å; H393-R397 WeakPolarHBondContact O-CB 3.48Å; H393-R397 VanDerWaalsContact O-CG 3.28Å; H393-R397 WeakPolarHBondContact O-CG 3.4Å; H393-R397 PolarHBondContact O-N 2.9Å
394V93.7Very high89.5Confident73 Ų73114.6 Ų114.644%0.44254%0.544SS..Hα-helixtrans-63.8-45176.4170.90000110.5I390 L391 S396 R397 L398I390-V394 HydrophobicContact CG2-CG2 4.4Å; I390-V394 WeakPolarHBondContact O-CB 3.25Å; I390-V394 VanDerWaalsContact O-CG2 3.29Å; I390-V394 WeakPolarHBondContact O-CG2 3.35Å; I390-V394 PolarHBondContact O-N 2.94Å; L391-V394 PolarHBondContact O-N 3.02Å; V394-S396 PolarHBondContact O-N 2.92Å; V394-R397 PolarHBondContact O-N 3.19Å; V394-L398 HydrophobicContact CG1-CD1 3.86Å; V394-L398 HydrophobicContact CG1-CG 4.44Å; V394-L398 WeakPolarHBondContact O-CB 3.46Å; V394-L398 WeakPolarHBondContact O-CG 3.21Å; V394-L398 PolarHBondContact O-N 3.25Å
395R92.9Very high87.7Confident190 Ų190121.9 Ų121.972%0.71757%0.566SS**Hα-helixtrans-59.5-48.2176.8-176.7178.9176.1127-1.2111.3L391 E392 R397 L398 T399L391-R395 VanDerWaalsContact O-CB 3.27Å; L391-R395 WeakPolarHBondContact O-CB 3.43Å; L391-R395 PolarHBondContact O-N 2.96Å; E392-R395 PolarHBondContact O-N 3.15Å; R395-R397 PolarHBondContact O-N 3.01Å; R395-L398 PolarHBondContact O-N 3.37Å; R395-T399 PolarHBondContact O-N 3.29Å; R395-T399 PolarHBondContact O-OG1 3.42Å
396S90.7Very high87.3Confident58 Ų58124.3 Ų124.341%0.40657%0.569SS.*Hα-helixtrans-54.7-49.6176.2158.80000111.8E392 H393 V394 L398 T399 V400E392-S396 WeakPolarHBondContact O-CB 3.11Å; E392-S396 PolarHBondContact O-N 3.14Å; H393-S396 PolarHBondContact O-N 3Å; V394-S396 PolarHBondContact O-N 2.92Å; S396-L398 PolarHBondContact O-N 3.31Å; S396-T399 WeakPolarHBondContact CA-OG1 3.43Å; S396-T399 PolarHBondContact O-N 3.03Å; S396-T399 PolarHBondContact O-OG1 3.16Å; S396-V400 WeakPolarHBondContact O-CG2 3.35Å; S396-V400 PolarHBondContact O-N 3.44Å
397R88.1Confident86.8Confident167 Ų167126.9 Ų126.963%0.6357%0.572SS**Hα-helixtrans-60.8-41.8176.8-73-76.2-169.8172.31.1112.4H393 V394 R395 V400 W401H393-R397 PolarHBondContact NE2-NE 3.44Å; H393-R397 WeakPolarHBondContact O-CB 3.48Å; H393-R397 VanDerWaalsContact O-CG 3.28Å; H393-R397 WeakPolarHBondContact O-CG 3.4Å; H393-R397 PolarHBondContact O-N 2.9Å; V394-R397 PolarHBondContact O-N 3.19Å; R395-R397 PolarHBondContact O-N 3.01Å; R397-V400 PolarHBondContact O-N 3.45Å; R397-W401 WeakPolarHBondContact O-CB 3.49Å; R397-W401 PolarHBondContact O-N 3.03Å
398L88.2Confident86.3Confident98 Ų98128.4 Ų128.451%0.51358%0.575SS.*Hα-helixtrans-66.7-39.3178-74.8168.4000112.4V394 R395 S396 W401 R402V394-L398 HydrophobicContact CG1-CD1 3.86Å; V394-L398 HydrophobicContact CG1-CG 4.44Å; V394-L398 WeakPolarHBondContact O-CB 3.46Å; V394-L398 WeakPolarHBondContact O-CG 3.21Å; V394-L398 PolarHBondContact O-N 3.25Å; R395-L398 PolarHBondContact O-N 3.37Å; S396-L398 PolarHBondContact O-N 3.31Å; L398-W401 PolarHBondContact O-N 2.87Å; L398-R402 PolarHBondContact O-N 3.43Å
399T86Confident85.8Confident66 Ų66130.9 Ų130.941%0.40558%0.583SS.*Hα-helixtrans-64.1-46.5174.229.40000111.8R395 S396 W401 R402 E403R395-T399 PolarHBondContact O-N 3.29Å; R395-T399 PolarHBondContact O-OG1 3.42Å; S396-T399 WeakPolarHBondContact CA-OG1 3.43Å; S396-T399 PolarHBondContact O-N 3.03Å; S396-T399 PolarHBondContact O-OG1 3.16Å; T399-W401 VanDerWaalsContact C-N 3.28Å; T399-W401 PolarHBondContact O-N 2.96Å; T399-R402 PolarHBondContact O-N 3.2Å; T399-R402 VanDerWaalsContact O-N 3.15Å; T399-E403 PolarHBondContact O-N 3.07Å
400V83.1Confident85.2Confident64 Ų64130.4 Ų130.439%0.38858%0.582SS.*Hα-helixtrans-63.1-36.5177.1173.90000111.6S396 R397 E403 R404S396-V400 WeakPolarHBondContact O-CG2 3.35Å; S396-V400 PolarHBondContact O-N 3.44Å; R397-V400 PolarHBondContact O-N 3.45Å; V400-E403 PolarHBondContact O-N 3.11Å; V400-R404 WeakPolarHBondContact O-CG 3.43Å; V400-R404 PolarHBondContact O-N 3.24Å
401W80.8Confident84.5Confident136 Ų136132.3 Ų132.352%0.51559%0.586SS.*Hα-helixtrans-69.1-35.3176.1-174.682.9000112.7R397 L398 T399 R405R397-W401 WeakPolarHBondContact O-CB 3.49Å; R397-W401 PolarHBondContact O-N 3.03Å; L398-W401 PolarHBondContact O-N 2.87Å; T399-W401 VanDerWaalsContact C-N 3.28Å; T399-W401 PolarHBondContact O-N 2.96Å; W401-R405 VanDerWaalsContact CZ2-CZ 3.41Å; W401-R405 VanDerWaalsContact CZ2-NH2 3.25Å
402R76.2Confident83.7Confident191 Ų191133.9 Ų133.972%0.72159%0.586SS**Hα-helixtrans-67.6-39.4172.8-83.6-173-168.9171.73.7112.8L398 T399 R404 R405L398-R402 PolarHBondContact O-N 3.43Å; T399-R402 PolarHBondContact O-N 3.2Å; T399-R402 VanDerWaalsContact O-N 3.15Å; R402-R404 PolarHBondContact O-N 2.72Å; R402-R405 PolarHBondContact O-N 3.36Å
403E77.8Confident82.9Confident162 Ų162134.4 Ų134.476%0.75759%0.586SS**Hα-helixtrans-71.3-19179.1-73.8176.9175.300113.5T399 V400T399-E403 PolarHBondContact O-N 3.07Å; V400-E403 PolarHBondContact O-N 3.11Å
404R69.1Low82.1Confident217 Ų217138.3 Ų138.382%0.81960%0.601SS**THydrogen-bonded Turntrans-87.9-10.6175.5-75.7-177-179.9-172.9-0.2114.5V400 R402V400-R404 WeakPolarHBondContact O-CG 3.43Å; V400-R404 PolarHBondContact O-N 3.24Å; R402-R404 PolarHBondContact O-N 2.72Å
405R58.2Low81Confident238 Ų238144.3 Ų144.390%0.89862%0.615SS**  trans-92.80171.5-93.5-173.3-178.7-171.5-1.4109.5W401 R402W401-R405 VanDerWaalsContact CZ2-CZ 3.41Å; W401-R405 VanDerWaalsContact CZ2-NH2 3.25Å; R402-R405 PolarHBondContact O-N 3.36Å

Retrieved 405 of 405 residues in 1186.9 ms (Link to these results)

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