G4VDI2_SCHMA Loading...

WD40 repeat-containing protein SMU1

AlphaFold DB , UniProt , Accession G4VDI2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 514 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
1M39.4Very low70Confident227 Ų227114.6 Ų114.6100%1.11861%0.607SS**  092.90-89.3-170.7-88.800105.2I3M1-I3 PolarHBondContact O-N 3.09Å
2D46.3Very low71Confident164 Ų164113.9 Ų113.988%0.87759%0.59SS**  trans-67.7103.8171.6-67.8-30.9000106.1E4D2-E4 PolarHBondContact O-N 2.97Å; D2-E4 VanDerWaalsContact O-N 3.09Å
3I58.4Low71.8Confident144 Ų144107.5 Ų107.574%0.73856%0.557SS**  trans-72.2102174.1-61.6167.7000104.6M1 I5M1-I3 PolarHBondContact O-N 3.09Å; I3-I5 HydrophobicContact CG2-CG1 4.06Å; I3-I5 PolarHBondContact O-N 3Å
4E64.8Low72.6Confident184 Ų184105.2 Ų105.286%0.8655%0.545SS*.  trans-65.599.4169.8-71.2-175168.600107.7D2D2-E4 PolarHBondContact O-N 2.97Å; D2-E4 VanDerWaalsContact O-N 3.09Å
5I71.7Confident73.4Confident121 Ų12198.2 Ų98.262%0.62151%0.508SS*.  trans-81.7117.9173-58.2173.6000106.7I3 S7 V10I3-I5 HydrophobicContact CG2-CG1 4.06Å; I3-I5 PolarHBondContact O-N 3Å; I5-S7 PolarHBondContact O-N 3.3Å; I5-V10 HydrophobicContact CG2-CG2 3.57Å
6E80.6Confident73.9Confident127 Ų12792.7 Ų92.759%0.59348%0.48SS*.  trans-59.7129.7173.4-69.7-170.8178.800110A8 D9 V10E6-A8 PolarHBondContact O-N 3.1Å; E6-A8 VanDerWaalsContact O-N 3.17Å; E6-D9 PolarHBondContact O-N 3.5Å; E6-V10 PolarHBondContact O-N 3.18Å
7S80.6Confident74.4Confident98 Ų9890.5 Ų90.569%0.68546%0.464SS*.Hα-helixtrans-57.8-31.7178.453.70000112.2I5 D9 V10 V11I5-S7 PolarHBondContact O-N 3.3Å; S7-D9 VanDerWaalsContact C-N 3.32Å; S7-D9 PolarHBondContact O-N 3.23Å; S7-V10 PolarHBondContact O-N 2.91Å; S7-V11 WeakPolarHBondContact O-CG2 3.47Å; S7-V11 PolarHBondContact O-N 3.34Å
8A82.2Confident74.9Confident24 Ų2486.3 Ų86.320%0.19844%0.443CS..Hα-helixtrans-60.8-37.8175.600000112.7E6 V11 R12 V36E6-A8 PolarHBondContact O-N 3.1Å; E6-A8 VanDerWaalsContact O-N 3.17Å; A8-V11 PolarHBondContact O-N 3.42Å; A8-R12 VanDerWaalsContact O-CG 3.3Å; A8-R12 WeakPolarHBondContact O-CG 3.47Å; A8-R12 PolarHBondContact O-N 3.26Å; A8-V36 HydrophobicContact CB-CG2 4.4Å
9D80Confident75.2Confident77 Ų7785.9 Ų85.941%0.41244%0.437SS..Hα-helixtrans-71.5-36.3179.7-77.2-15.1000112.2E6 S7 V11 R12 L13E6-D9 PolarHBondContact O-N 3.5Å; S7-D9 VanDerWaalsContact C-N 3.32Å; S7-D9 PolarHBondContact O-N 3.23Å; D9-V11 VanDerWaalsContact C-N 3.35Å; D9-R12 PolarHBondContact O-N 2.99Å; D9-R12 IonicContact OD1-CZ 3.87Å; D9-R12 IonicContact OD1-NH1 2.73Å; D9-R12 PolarHBondContact OD1-NH1 3.06Å; D9-L13 WeakPolarHBondContact O-CB 3.25Å; D9-L13 PolarHBondContact O-N 3.09Å
10V81.7Confident75.4Confident67 Ų6785.4 Ų85.441%0.40643%0.433SS..Hα-helixtrans-64.2-43.3173.4-176.50000110.5I5 E6 S7 L13 I14I5-V10 HydrophobicContact CG2-CG2 3.57Å; E6-V10 PolarHBondContact O-N 3.18Å; S7-V10 PolarHBondContact O-N 2.91Å; V10-L13 WeakPolarHBondContact O-CB 3.41Å; V10-L13 PolarHBondContact O-N 2.71Å; V10-I14 HydrophobicContact CG1-CD1 4.14Å; V10-I14 WeakPolarHBondContact O-CG1 3.4Å; V10-I14 PolarHBondContact O-N 3.33Å
11V84.7Confident75.7Confident28 Ų2883.4 Ų83.417%0.1743%0.427CS..Hα-helixtrans-62.1-46.2176.9173.20000110.8S7 A8 D9 L13 I14 E15 V30 T34 V36S7-V11 WeakPolarHBondContact O-CG2 3.47Å; S7-V11 PolarHBondContact O-N 3.34Å; A8-V11 PolarHBondContact O-N 3.42Å; D9-V11 VanDerWaalsContact C-N 3.35Å; V11-L13 VanDerWaalsContact C-N 3.26Å; V11-L13 PolarHBondContact O-N 2.8Å; V11-I14 PolarHBondContact O-N 2.96Å; V11-I14 VanDerWaalsContact O-N 3.1Å; V11-E15 HydrophobicContact CG1-CG 4.31Å; V11-E15 WeakPolarHBondContact CG1-OE1 3.45Å; V11-E15 WeakPolarHBondContact O-CG 3.43Å; V11-E15 PolarHBondContact O-N 2.73Å; V11-V30 HydrophobicContact CG1-CG1 4.26Å; V11-T34 HydrophobicContact CG1-CG2 3.83Å; V11-T34 HydrophobicContact CG2-CG2 4.12Å; V11-V36 HydrophobicContact CG1-CB 3.91Å; V11-V36 HydrophobicContact CG1-CG1 4.25Å; V11-V36 HydrophobicContact CG1-CG2 4.31Å
12R81.8Confident77.7Confident106 Ų10679 Ų7940%0.441%0.408SS..Hα-helixtrans-57.2-40.2174.8-72.2169.9-175.1147.7-2112A8 D9 I14 E15 Q16 V36 L38A8-R12 VanDerWaalsContact O-CG 3.3Å; A8-R12 WeakPolarHBondContact O-CG 3.47Å; A8-R12 PolarHBondContact O-N 3.26Å; D9-R12 PolarHBondContact O-N 2.99Å; D9-R12 IonicContact OD1-CZ 3.87Å; D9-R12 IonicContact OD1-NH1 2.73Å; D9-R12 PolarHBondContact OD1-NH1 3.06Å; R12-I14 VanDerWaalsContact C-N 3.34Å; R12-I14 PolarHBondContact O-N 3.2Å; R12-E15 PolarHBondContact O-N 3.2Å; R12-Q16 WeakPolarHBondContact O-CB 3.44Å; R12-Q16 PolarHBondContact O-N 3.14Å; R12-V36 HydrophobicContact CG-CG1 3.82Å; R12-L38 HydrophobicContact CB-CD1 3.98Å; R12-L38 HydrophobicContact CG-CD1 4.36Å; R12-L38 WeakPolarHBondContact O-CD1 3.46Å
13L81.2Confident79.4Confident31 Ų3175 Ų7516%0.16239%0.386CS..Hα-helixtrans-64.2-39177.5-158.789000112.2D9 V10 V11 Y17 R160 L161 L164D9-L13 WeakPolarHBondContact O-CB 3.25Å; D9-L13 PolarHBondContact O-N 3.09Å; V10-L13 WeakPolarHBondContact O-CB 3.41Å; V10-L13 PolarHBondContact O-N 2.71Å; V11-L13 VanDerWaalsContact C-N 3.26Å; V11-L13 PolarHBondContact O-N 2.8Å; L13-Y17 PolarHBondContact O-N 3.04Å; L13-Y17 VanDerWaalsContact O-N 3.16Å; L13-R160 HydrophobicContact CD1-CB 4.11Å; L13-R160 HydrophobicContact CD1-CG 3.87Å; L13-L161 HydrophobicContact CD2-CB 4.01Å; L13-L161 HydrophobicContact CD2-CD1 3.37Å; L13-L161 HydrophobicContact CD2-CG 4.26Å; L13-L161 HydrophobicContact CG-CB 3.99Å; L13-L161 HydrophobicContact CG-CD1 4.2Å; L13-L164 HydrophobicContact CD1-CD1 3.89Å; L13-L164 HydrophobicContact CD2-CD1 3.98Å
14I83.5Confident80.5Confident75 Ų7572.3 Ų72.339%0.38537%0.373SS..Hα-helixtrans-69.2-46.4175.6-66.5165.8000110.4V10 V11 R12 Q16 Y17 L18V10-I14 HydrophobicContact CG1-CD1 4.14Å; V10-I14 WeakPolarHBondContact O-CG1 3.4Å; V10-I14 PolarHBondContact O-N 3.33Å; V11-I14 PolarHBondContact O-N 2.96Å; V11-I14 VanDerWaalsContact O-N 3.1Å; R12-I14 VanDerWaalsContact C-N 3.34Å; R12-I14 PolarHBondContact O-N 3.2Å; I14-Q16 VanDerWaalsContact C-N 3.26Å; I14-Q16 PolarHBondContact O-N 2.81Å; I14-Y17 WeakPolarHBondContact O-CB 3.31Å; I14-Y17 PolarHBondContact O-N 3.17Å; I14-Y17 VanDerWaalsContact O-N 3.12Å; I14-L18 HydrophobicContact CG2-CD1 4.08Å; I14-L18 HydrophobicContact CG2-CG 4.39Å; I14-L18 WeakPolarHBondContact O-CG 3.35Å; I14-L18 PolarHBondContact O-N 3.37Å
15E83.7Confident81.5Confident0 Ų074 Ų740%037%0.371CS..Hα-helixtrans-57.8-41.2176.3-74.3-174-162.100111.5V11 R12 Y17 L18 K19 L27 V30 Q31 V36 L38V11-E15 HydrophobicContact CG1-CG 4.31Å; V11-E15 WeakPolarHBondContact CG1-OE1 3.45Å; V11-E15 WeakPolarHBondContact O-CG 3.43Å; V11-E15 PolarHBondContact O-N 2.73Å; R12-E15 PolarHBondContact O-N 3.2Å; E15-Y17 PolarHBondContact O-N 3.36Å; E15-L18 PolarHBondContact O-N 3.42Å; E15-K19 WeakPolarHBondContact O-CB 3.26Å; E15-K19 PolarHBondContact O-N 2.93Å; E15-L27 HydrophobicContact CB-CD1 3.56Å; E15-L27 HydrophobicContact CG-CD1 3.79Å; E15-L27 WeakPolarHBondContact O-CD1 3.15Å; E15-V30 HydrophobicContact CG-CG1 3.85Å; E15-Q31 HydrophobicContact CG-CG 4.3Å; E15-Q31 VanDerWaalsContact OE1-CG 3.32Å; E15-Q31 WeakPolarHBondContact OE1-CG 3.4Å; E15-Q31 WeakPolarHBondContact OE2-CG 3.3Å; E15-Q31 PolarHBondContact OE2-NE2 3.24Å; E15-V36 VanDerWaalsContact OE1-O 3.14Å; E15-L38 HydrophobicContact CB-CB 3.99Å; E15-L38 HydrophobicContact CB-CD2 4.19Å; E15-L38 HydrophobicContact CB-CG 4.46Å; E15-L38 WeakPolarHBondContact OE2-CB 3.3Å; E15-L38 PolarHBondContact OE2-N 3.43Å
16Q81.3Confident82.1Confident10 Ų1071.2 Ų71.25%0.04736%0.36CS..Hα-helixtrans-59.8-47.6174.7-177.8-175.6-1.600111.4R12 I14 L18 K19 E20 L38 A157R12-Q16 WeakPolarHBondContact O-CB 3.44Å; R12-Q16 PolarHBondContact O-N 3.14Å; I14-Q16 VanDerWaalsContact C-N 3.26Å; I14-Q16 PolarHBondContact O-N 2.81Å; Q16-L18 VanDerWaalsContact C-N 3.31Å; Q16-L18 PolarHBondContact O-N 2.74Å; Q16-K19 WeakPolarHBondContact O-CB 3.43Å; Q16-K19 PolarHBondContact O-N 2.62Å; Q16-E20 WeakPolarHBondContact CG-OE1 3.49Å; Q16-E20 PolarHBondContact NE2-OE1 3.24Å; Q16-E20 WeakPolarHBondContact O-CG 3.33Å; Q16-E20 PolarHBondContact O-N 2.71Å; Q16-L38 HydrophobicContact CB-CD1 4.46Å; Q16-L38 HydrophobicContact CB-CD2 4.11Å; Q16-A157 PolarHBondContact NE2-O 3.2Å
17Y83.2Confident82.3Confident56 Ų5666.1 Ų66.122%0.2234%0.337CS..Hα-helixtrans-61.8-39.3178.1176.8-101.8000112.5L13 I14 E15 E20 S21 L161 L162 F187L13-Y17 PolarHBondContact O-N 3.04Å; L13-Y17 VanDerWaalsContact O-N 3.16Å; I14-Y17 WeakPolarHBondContact O-CB 3.31Å; I14-Y17 PolarHBondContact O-N 3.17Å; I14-Y17 VanDerWaalsContact O-N 3.12Å; E15-Y17 PolarHBondContact O-N 3.36Å; Y17-E20 PolarHBondContact O-N 3.43Å; Y17-S21 VanDerWaalsContact O-CB 3.26Å; Y17-S21 WeakPolarHBondContact O-CB 3.49Å; Y17-S21 PolarHBondContact O-N 3.29Å; Y17-S21 PolarHBondContact O-OG 3.38Å; Y17-L161 HydrophobicContact CD1-CD2 4.13Å; Y17-L161 HydrophobicContact CD2-CD2 3.82Å; Y17-L161 HydrophobicContact CG-CD2 3.54Å; Y17-L162 HydrophobicContact CE2-CD2 4.21Å; Y17-L162 HydrophobicContact CE2-CG 4.35Å; Y17-F187 AromaticContact CE1-CE1 3.93Å; Y17-F187 HydrophobicContact CE1-CE1 3.93Å; Y17-F187 AromaticContact CE1-CZ 3.93Å; Y17-F187 HydrophobicContact CE1-CZ 3.93Å; Y17-F187 HydrophobicContact CE2-CE1 4.49Å; Y17-F187 AromaticContact CE2-CZ 3.78Å; Y17-F187 HydrophobicContact CE2-CZ 3.78Å; Y17-F187 AromaticContact CZ-CE1 3.85Å; Y17-F187 AromaticContact CZ-CZ 3.35Å; Y17-F187 WeakPolarHBondContact OH-CE2 3.15Å; Y17-F187 WeakPolarHBondContact OH-CZ 3.31Å
18L83.6Confident82.4Confident15 Ų1569.5 Ų69.58%0.07934%0.335CS..Hα-helixtrans-64.9-39.8175.8-67.8172.9000111.6I14 E15 Q16 S21 N22 L23 T26 L27 V30I14-L18 HydrophobicContact CG2-CD1 4.08Å; I14-L18 HydrophobicContact CG2-CG 4.39Å; I14-L18 WeakPolarHBondContact O-CG 3.35Å; I14-L18 PolarHBondContact O-N 3.37Å; E15-L18 PolarHBondContact O-N 3.42Å; Q16-L18 VanDerWaalsContact C-N 3.31Å; Q16-L18 PolarHBondContact O-N 2.74Å; L18-S21 PolarHBondContact O-N 3.09Å; L18-N22 PolarHBondContact O-N 3.43Å; L18-L23 HydrophobicContact CB-CB 4.49Å; L18-L23 HydrophobicContact CD2-CB 4.02Å; L18-L23 HydrophobicContact CD2-CD1 3.84Å; L18-L23 PolarHBondContact O-N 2.92Å; L18-T26 HydrophobicContact CD1-CG2 3.93Å; L18-T26 HydrophobicContact CD2-CG2 3.89Å; L18-L27 HydrophobicContact CB-CB 4.15Å; L18-L27 HydrophobicContact CB-CD1 4.45Å; L18-V30 HydrophobicContact CD1-CB 4.45Å; L18-V30 HydrophobicContact CD1-CG2 3.96Å
19K79.3Confident82.7Confident78 Ų7871 Ų7134%0.33934%0.341SS..Hα-helixtrans-62.6-49.2174.2-173.2177.9175.8-179.50111.1E15 Q16 S21 N22 L27 L38 T40E15-K19 WeakPolarHBondContact O-CB 3.26Å; E15-K19 PolarHBondContact O-N 2.93Å; Q16-K19 WeakPolarHBondContact O-CB 3.43Å; Q16-K19 PolarHBondContact O-N 2.62Å; K19-S21 VanDerWaalsContact C-N 3.28Å; K19-S21 PolarHBondContact O-N 2.89Å; K19-N22 PolarHBondContact O-N 3.19Å; K19-N22 VanDerWaalsContact O-N 3.15Å; K19-L27 HydrophobicContact CB-CD2 4.09Å; K19-L27 HydrophobicContact CG-CD2 4.48Å; K19-L38 HydrophobicContact CD-CD2 4.18Å; K19-T40 PolarHBondContact NZ-O 3.44Å; K19-T40 PolarHBondContact NZ-OG1 2.9Å
20E80.8Confident83Confident75 Ų7568.8 Ų68.835%0.3533%0.331SS..Hα-helixtrans-63.2-33.2178.1-71.8174.1-172.700112.7Q16 Y17 N22 P158 S159Q16-E20 WeakPolarHBondContact CG-OE1 3.49Å; Q16-E20 PolarHBondContact NE2-OE1 3.24Å; Q16-E20 WeakPolarHBondContact O-CG 3.33Å; Q16-E20 PolarHBondContact O-N 2.71Å; Y17-E20 PolarHBondContact O-N 3.43Å; E20-N22 VanDerWaalsContact C-N 3.26Å; E20-N22 PolarHBondContact O-N 3.06Å; E20-P158 VanDerWaalsContact OE1-CA 3.25Å; E20-P158 WeakPolarHBondContact OE1-CA 3.46Å; E20-S159 VanDerWaalsContact CD-N 3.27Å; E20-S159 PolarHBondContact OE1-N 2.99Å; E20-S159 VanDerWaalsContact OE2-CA 3.26Å; E20-S159 WeakPolarHBondContact OE2-CA 3.48Å; E20-S159 PolarHBondContact OE2-N 3.13Å; E20-S159 VanDerWaalsContact OE2-N 3.09Å
21S81.6Confident83.2Confident44 Ų4466.6 Ų66.631%0.30832%0.316SS..THydrogen-bonded Turntrans-82.84.6178-56.80000114Y17 L18 K19 L23Y17-S21 VanDerWaalsContact O-CB 3.26Å; Y17-S21 WeakPolarHBondContact O-CB 3.49Å; Y17-S21 PolarHBondContact O-N 3.29Å; Y17-S21 PolarHBondContact O-OG 3.38Å; L18-S21 PolarHBondContact O-N 3.09Å; K19-S21 VanDerWaalsContact C-N 3.28Å; K19-S21 PolarHBondContact O-N 2.89Å; S21-L23 PolarHBondContact O-N 2.77Å
22N79.8Confident83.2Confident134 Ų13471 Ų7172%0.71734%0.335SS*.THydrogen-bonded Turntrans56.526.3-173.9-67.3-54.5000114.7L18 K19 E20 L24L18-N22 PolarHBondContact O-N 3.43Å; K19-N22 PolarHBondContact O-N 3.19Å; K19-N22 VanDerWaalsContact O-N 3.15Å; E20-N22 VanDerWaalsContact C-N 3.26Å; E20-N22 PolarHBondContact O-N 3.06Å; N22-L24 VanDerWaalsContact C-N 3.27Å; N22-L24 PolarHBondContact O-N 3.42Å; N22-L24 VanDerWaalsContact O-N 3.11Å
23L83Confident83.5Confident81 Ų8173.8 Ų73.842%0.42435%0.352SS..  trans-8960.2178.4-63.6173.9000110.9L18 S21 R25 T26 L27L18-L23 HydrophobicContact CB-CB 4.49Å; L18-L23 HydrophobicContact CD2-CB 4.02Å; L18-L23 HydrophobicContact CD2-CD1 3.84Å; L18-L23 PolarHBondContact O-N 2.92Å; S21-L23 PolarHBondContact O-N 2.77Å; L23-R25 VanDerWaalsContact C-N 3.33Å; L23-R25 PolarHBondContact O-N 3.35Å; L23-T26 PolarHBondContact O-N 3.48Å; L23-L27 PolarHBondContact O-N 2.85Å
24L81.6Confident83.7Confident88 Ų8874.9 Ų74.946%0.46136%0.36SS..Hα-helixtrans-62.6-34.4-169.8-61.5176.6000114N22 R28N22-L24 VanDerWaalsContact C-N 3.27Å; N22-L24 PolarHBondContact O-N 3.42Å; N22-L24 VanDerWaalsContact O-N 3.11Å; L24-R28 PolarHBondContact O-N 2.92Å; L24-R28 VanDerWaalsContact O-N 3.08Å
25R84.6Confident83.6Confident218 Ų21882 Ų8282%0.82338%0.382SS*.Hα-helixtrans-66.6-44.2178.2-172.9176.9-178.91760.6111.1L23 R28 T29L23-R25 VanDerWaalsContact C-N 3.33Å; L23-R25 PolarHBondContact O-N 3.35Å; R25-R28 PolarHBondContact O-N 3.35Å; R25-T29 PolarHBondContact O-N 3.31Å; R25-T29 VanDerWaalsContact O-N 3.1Å; R25-T29 PolarHBondContact O-OG1 2.94Å
26T86.3Confident83.4Confident64 Ų6483.2 Ų83.239%0.39339%0.39SS..Hα-helixtrans-67.7-38.8178.5-48.50000111.2L18 L23 R28 T29 V30L18-T26 HydrophobicContact CD1-CG2 3.93Å; L18-T26 HydrophobicContact CD2-CG2 3.89Å; L23-T26 PolarHBondContact O-N 3.48Å; T26-R28 VanDerWaalsContact C-N 3.33Å; T26-R28 PolarHBondContact O-N 2.77Å; T26-T29 WeakPolarHBondContact CA-OG1 3.47Å; T26-T29 PolarHBondContact O-N 3.23Å; T26-T29 PolarHBondContact O-OG1 2.8Å; T26-V30 HydrophobicContact CG2-CG2 4.46Å; T26-V30 WeakPolarHBondContact O-CB 3.25Å; T26-V30 VanDerWaalsContact O-CG2 3.26Å; T26-V30 WeakPolarHBondContact O-CG2 3.3Å; T26-V30 PolarHBondContact O-N 2.9Å
27L84.2Confident83.1Confident19 Ų1984.7 Ų84.710%0.09940%0.401CS..Hα-helixtrans-56.3-48.6172.717663.3000111.2E15 L18 K19 L23 T29 V30 Q31E15-L27 HydrophobicContact CB-CD1 3.56Å; E15-L27 HydrophobicContact CG-CD1 3.79Å; E15-L27 WeakPolarHBondContact O-CD1 3.15Å; L18-L27 HydrophobicContact CB-CB 4.15Å; L18-L27 HydrophobicContact CB-CD1 4.45Å; K19-L27 HydrophobicContact CB-CD2 4.09Å; K19-L27 HydrophobicContact CG-CD2 4.48Å; L23-L27 PolarHBondContact O-N 2.85Å; L27-T29 PolarHBondContact O-N 3.41Å; L27-V30 PolarHBondContact O-N 2.86Å; L27-Q31 HydrophobicContact CD1-CG 4.39Å; L27-Q31 WeakPolarHBondContact O-CG 3.35Å; L27-Q31 PolarHBondContact O-N 2.71Å
28R82.9Confident82.5Confident170 Ų17082.4 Ų82.464%0.64239%0.393SS*.Hα-helixtrans-61.4-45.4179.5-171.3-177.9-65.4174.5-2.3112L24 R25 T26 V30 Q31 E32L24-R28 PolarHBondContact O-N 2.92Å; L24-R28 VanDerWaalsContact O-N 3.08Å; R25-R28 PolarHBondContact O-N 3.35Å; T26-R28 VanDerWaalsContact C-N 3.33Å; T26-R28 PolarHBondContact O-N 2.77Å; R28-V30 VanDerWaalsContact C-N 3.35Å; R28-V30 PolarHBondContact O-N 3.14Å; R28-Q31 PolarHBondContact O-N 3.32Å; R28-E32 WeakPolarHBondContact CG-OE1 3.41Å; R28-E32 WeakPolarHBondContact O-CG 3.2Å; R28-E32 PolarHBondContact O-N 3.31Å
29T87.8Confident82.1Confident54 Ų5482.6 Ų82.633%0.33139%0.394SS..Hα-helixtrans-63.7-40.5178.6520000111.9R25 T26 L27 Q31 E32 E33R25-T29 PolarHBondContact O-N 3.31Å; R25-T29 VanDerWaalsContact O-N 3.1Å; R25-T29 PolarHBondContact O-OG1 2.94Å; T26-T29 WeakPolarHBondContact CA-OG1 3.47Å; T26-T29 PolarHBondContact O-N 3.23Å; T26-T29 PolarHBondContact O-OG1 2.8Å; L27-T29 PolarHBondContact O-N 3.41Å; T29-Q31 PolarHBondContact O-N 2.97Å; T29-E32 PolarHBondContact O-N 3.49Å; T29-E33 WeakPolarHBondContact O-CB 3.49Å; T29-E33 WeakPolarHBondContact O-CG 3.35Å; T29-E33 PolarHBondContact O-N 3.36Å
30V86.9Confident81.8Confident31 Ų3179.4 Ų79.419%0.18838%0.381CS..Hα-helixtrans-64.1-41.8177.4170.60000111V11 E15 L18 T26 L27 R28 E32 E33 T34V11-V30 HydrophobicContact CG1-CG1 4.26Å; E15-V30 HydrophobicContact CG-CG1 3.85Å; L18-V30 HydrophobicContact CD1-CB 4.45Å; L18-V30 HydrophobicContact CD1-CG2 3.96Å; T26-V30 HydrophobicContact CG2-CG2 4.46Å; T26-V30 WeakPolarHBondContact O-CB 3.25Å; T26-V30 VanDerWaalsContact O-CG2 3.26Å; T26-V30 WeakPolarHBondContact O-CG2 3.3Å; T26-V30 PolarHBondContact O-N 2.9Å; L27-V30 PolarHBondContact O-N 2.86Å; R28-V30 VanDerWaalsContact C-N 3.35Å; R28-V30 PolarHBondContact O-N 3.14Å; V30-E32 VanDerWaalsContact C-N 3.34Å; V30-E32 PolarHBondContact O-N 2.89Å; V30-E33 PolarHBondContact O-N 3.39Å; V30-T34 HydrophobicContact CG1-CG2 4.08Å; V30-T34 VanDerWaalsContact O-CB 3.32Å; V30-T34 WeakPolarHBondContact O-CB 3.4Å; V30-T34 VanDerWaalsContact O-CG2 3.29Å; V30-T34 WeakPolarHBondContact O-CG2 3.48Å; V30-T34 PolarHBondContact O-N 3.24Å; V30-T34 PolarHBondContact O-OG1 3.38Å
31Q85Confident81.5Confident22 Ų2276.7 Ų76.710%0.10337%0.369CS..Hα-helixtrans-67.7-32.1176.8-74.1-178.6-15.400113.6E15 L27 R28 T29 R35E15-Q31 HydrophobicContact CG-CG 4.3Å; E15-Q31 VanDerWaalsContact OE1-CG 3.32Å; E15-Q31 WeakPolarHBondContact OE1-CG 3.4Å; E15-Q31 WeakPolarHBondContact OE2-CG 3.3Å; E15-Q31 PolarHBondContact OE2-NE2 3.24Å; L27-Q31 HydrophobicContact CD1-CG 4.39Å; L27-Q31 WeakPolarHBondContact O-CG 3.35Å; L27-Q31 PolarHBondContact O-N 2.71Å; R28-Q31 PolarHBondContact O-N 3.32Å; T29-Q31 PolarHBondContact O-N 2.97Å; Q31-R35 WeakPolarHBondContact O-CA 3.32Å; Q31-R35 PolarHBondContact O-N 3.27Å
32E85.8Confident81.1Confident120 Ų12083.5 Ų83.556%0.56140%0.396SS*.Hα-helixtrans-71.3-43.8175.1-75.3170.5-172.400111.3R28 T29 V30R28-E32 WeakPolarHBondContact CG-OE1 3.41Å; R28-E32 WeakPolarHBondContact O-CG 3.2Å; R28-E32 PolarHBondContact O-N 3.31Å; T29-E32 PolarHBondContact O-N 3.49Å; V30-E32 VanDerWaalsContact C-N 3.34Å; V30-E32 PolarHBondContact O-N 2.89Å
33E88.1Confident81.2Confident164 Ų16479.1 Ų79.177%0.76638%0.376SS*.Hα-helixtrans-74.5-42.9-178.1-72.2-176.8178.300112.8T29 V30T29-E33 WeakPolarHBondContact O-CB 3.49Å; T29-E33 WeakPolarHBondContact O-CG 3.35Å; T29-E33 PolarHBondContact O-N 3.36Å; V30-E33 PolarHBondContact O-N 3.39Å
34T84.9Confident81.2Confident54 Ų5478.1 Ų78.133%0.33137%0.371SS..Hα-helixtrans-84.8-19.1-176.264.60000113.3V11 V30 V36V11-T34 HydrophobicContact CG1-CG2 3.83Å; V11-T34 HydrophobicContact CG2-CG2 4.12Å; V30-T34 HydrophobicContact CG1-CG2 4.08Å; V30-T34 VanDerWaalsContact O-CB 3.32Å; V30-T34 WeakPolarHBondContact O-CB 3.4Å; V30-T34 VanDerWaalsContact O-CG2 3.29Å; V30-T34 WeakPolarHBondContact O-CG2 3.48Å; V30-T34 PolarHBondContact O-N 3.24Å; V30-T34 PolarHBondContact O-OG1 3.38Å; T34-V36 PolarHBondContact O-N 3.05Å; T34-V36 VanDerWaalsContact O-N 3.07Å; T34-V36 PolarHBondContact OG1-N 3.46Å
35R81.1Confident81.4Confident224 Ų22481.7 Ų81.785%0.84539%0.385SS*.  trans57.310-170-53.4-179.3179.7-179.3-0.5114.5Q31Q31-R35 WeakPolarHBondContact O-CA 3.32Å; Q31-R35 PolarHBondContact O-N 3.27Å
36V79.8Confident81.4Confident27 Ų2773.9 Ų73.916%0.16436%0.363CS..  trans-87.5140.2170.2-177.90000107.1A8 V11 R12 E15 T34A8-V36 HydrophobicContact CB-CG2 4.4Å; V11-V36 HydrophobicContact CG1-CB 3.91Å; V11-V36 HydrophobicContact CG1-CG1 4.25Å; V11-V36 HydrophobicContact CG1-CG2 4.31Å; R12-V36 HydrophobicContact CG-CG1 3.82Å; E15-V36 VanDerWaalsContact OE1-O 3.14Å; T34-V36 PolarHBondContact O-N 3.05Å; T34-V36 VanDerWaalsContact O-N 3.07Å; T34-V36 PolarHBondContact OG1-N 3.46Å
37S73.9Confident81.4Confident40 Ų4071 Ų7128%0.2835%0.346SS..  trans-122.4126.6177.6560000111.1N39S37-N39 PolarHBondContact O-N 3.46Å; S37-N39 VanDerWaalsContact O-N 3.09Å
38L70.8Confident81.7Confident9 Ų971.9 Ų71.95%0.04735%0.352CS..  trans-78.583.1171.4-169.280.5000111.3R12 E15 Q16 K19 T40R12-L38 HydrophobicContact CB-CD1 3.98Å; R12-L38 HydrophobicContact CG-CD1 4.36Å; R12-L38 WeakPolarHBondContact O-CD1 3.46Å; E15-L38 HydrophobicContact CB-CB 3.99Å; E15-L38 HydrophobicContact CB-CD2 4.19Å; E15-L38 HydrophobicContact CB-CG 4.46Å; E15-L38 WeakPolarHBondContact OE2-CB 3.3Å; E15-L38 PolarHBondContact OE2-N 3.43Å; Q16-L38 HydrophobicContact CB-CD1 4.46Å; Q16-L38 HydrophobicContact CB-CD2 4.11Å; K19-L38 HydrophobicContact CD-CD2 4.18Å; L38-T40 HydrophobicContact CD1-CG2 3.58Å; L38-T40 HydrophobicContact CD2-CG2 4.34Å; L38-T40 WeakPolarHBondContact CD2-OG1 3.48Å; L38-T40 HydrophobicContact CG-CG2 3.62Å; L38-T40 WeakPolarHBondContact CG-OG1 3.34Å; L38-T40 PolarHBondContact O-N 3.02Å
39N75.1Confident82Confident18 Ų1866.1 Ų66.110%0.09634%0.338CS..  trans-80.871.9171.5-70.1-13.7000110.4S37 L66 K67 E152 S154S37-N39 PolarHBondContact O-N 3.46Å; S37-N39 VanDerWaalsContact O-N 3.09Å; N39-L66 HydrophobicContact CB-CD2 4.07Å; N39-K67 PolarHBondContact ND2-O 3.24Å; N39-K67 VanDerWaalsContact ND2-O 3.09Å; N39-K67 PolarHBondContact OD1-N 3.4Å; N39-E152 VanDerWaalsContact CB-O 3.27Å; N39-E152 WeakPolarHBondContact CB-O 3.26Å; N39-S154 PolarHBondContact O-N 3.09Å; N39-S154 PolarHBondContact O-OG 2.91Å
40T74.8Confident82.1Confident12 Ų1265.1 Ų65.17%0.07433%0.33CS..BIsolated β-bridgetrans-115.8137.4-177.1570000113.6K19 L38 S154 V156K19-T40 PolarHBondContact NZ-O 3.44Å; K19-T40 PolarHBondContact NZ-OG1 2.9Å; L38-T40 HydrophobicContact CD1-CG2 3.58Å; L38-T40 HydrophobicContact CD2-CG2 4.34Å; L38-T40 WeakPolarHBondContact CD2-OG1 3.48Å; L38-T40 HydrophobicContact CG-CG2 3.62Å; L38-T40 WeakPolarHBondContact CG-OG1 3.34Å; L38-T40 PolarHBondContact O-N 3.02Å; T40-S154 VanDerWaalsContact CA-O 3.26Å; T40-S154 WeakPolarHBondContact CA-O 3.41Å; T40-V156 HydrophobicContact CG2-CB 4.22Å; T40-V156 HydrophobicContact CG2-CG2 3.62Å
41V73Confident82.2Confident17 Ų1763.6 Ų63.610%0.10332%0.321CS..  trans-125.3151.9173.7-178.80000109.3S43 F47 L66 V153 S154V41-S43 VanDerWaalsContact C-N 3.34Å; V41-S43 PolarHBondContact O-N 3.08Å; V41-F47 HydrophobicContact CG1-CB 3.94Å; V41-F47 HydrophobicContact CG1-CD2 4.46Å; V41-F47 HydrophobicContact CG1-CG 4.3Å; V41-L66 HydrophobicContact CG2-CD1 4.21Å; V41-L66 HydrophobicContact CG2-CD2 4.47Å; V41-V153 HydrophobicContact CB-CG1 3.6Å; V41-V153 HydrophobicContact CG2-CB 4.49Å; V41-V153 HydrophobicContact CG2-CG1 3.34Å; V41-V153 HydrophobicContact CG2-CG2 4.32Å; V41-S154 PolarHBondContact N-O 2.77Å
42E73.8Confident82.5Confident188 Ų18865.5 Ų65.588%0.87933%0.331SS*.SBendtrans-61.8-40.9-176.9-64.5-175.317300112.5
43S81.2Confident82.6Confident41 Ų4164 Ų6429%0.28733%0.327SS..  trans-148.4128.6174.1173.40000110V41 E45 S46 F47V41-S43 VanDerWaalsContact C-N 3.34Å; V41-S43 PolarHBondContact O-N 3.08Å; S43-E45 PolarHBondContact O-N 3.24Å; S43-E45 PolarHBondContact OG-N 3.35Å; S43-S46 WeakPolarHBondContact CB-OG 3.3Å; S43-S46 PolarHBondContact O-OG 3.41Å; S43-S46 VanDerWaalsContact O-OG 3.07Å; S43-S46 PolarHBondContact OG-N 3.31Å; S43-F47 WeakPolarHBondContact O-CB 3.45Å; S43-F47 PolarHBondContact O-N 3.25Å
44I83.2Confident82.5Confident61 Ų6157 Ų5731%0.31330%0.299SS..Hα-helixtrans-62.8-37.5172.4-74.8156.4000109.9F47 V48 V153 V155I44-F47 PolarHBondContact O-N 2.87Å; I44-V48 HydrophobicContact CG2-CG2 4.05Å; I44-V48 WeakPolarHBondContact O-CB 3.39Å; I44-V48 VanDerWaalsContact O-CG2 3.25Å; I44-V48 WeakPolarHBondContact O-CG2 3.48Å; I44-V48 PolarHBondContact O-N 2.95Å; I44-V153 HydrophobicContact CG1-CG1 4.49Å; I44-V155 HydrophobicContact CB-CG2 4.17Å; I44-V155 HydrophobicContact CD1-CB 4.48Å; I44-V155 HydrophobicContact CD1-CG2 3.51Å; I44-V155 HydrophobicContact CG1-CG2 3.49Å; I44-V155 VanDerWaalsContact CG1-CG2 3.49Å
45E85.7Confident82.7Confident163 Ų16358.3 Ų58.376%0.76230%0.301SS*.Hα-helixtrans-65.6-43.1-177.7-64.1179.9177.500112S43 S49S43-E45 PolarHBondContact O-N 3.24Å; S43-E45 PolarHBondContact OG-N 3.35Å; E45-S49 VanDerWaalsContact O-CB 3.22Å; E45-S49 WeakPolarHBondContact O-CB 3.49Å; E45-S49 PolarHBondContact O-N 3.22Å
46S86.1Confident83.1Confident53 Ų5348.9 Ų48.937%0.37127%0.266SS..Hα-helixtrans-66.3-43.4177.166.10000110.9S43 V48 S49 D50S43-S46 WeakPolarHBondContact CB-OG 3.3Å; S43-S46 PolarHBondContact O-OG 3.41Å; S43-S46 VanDerWaalsContact O-OG 3.07Å; S43-S46 PolarHBondContact OG-N 3.31Å; S46-V48 PolarHBondContact O-N 3.15Å; S46-S49 WeakPolarHBondContact O-CB 3.24Å; S46-S49 PolarHBondContact O-N 3.06Å; S46-D50 WeakPolarHBondContact O-CB 3.27Å; S46-D50 VanDerWaalsContact O-CG 3.22Å; S46-D50 PolarHBondContact O-N 3.44Å
47F86.2Confident83.4Confident4 Ų452.5 Ų52.52%0.01828%0.284CS..Hα-helixtrans-62.2-44.6178.5-177-112.7000112.7V41 S43 I44 D50 I51 V59 T62 V63 L149 V153V41-F47 HydrophobicContact CG1-CB 3.94Å; V41-F47 HydrophobicContact CG1-CD2 4.46Å; V41-F47 HydrophobicContact CG1-CG 4.3Å; S43-F47 WeakPolarHBondContact O-CB 3.45Å; S43-F47 PolarHBondContact O-N 3.25Å; I44-F47 PolarHBondContact O-N 2.87Å; F47-D50 PolarHBondContact O-N 3.21Å; F47-I51 HydrophobicContact CD1-CD1 3.94Å; F47-I51 HydrophobicContact CE1-CD1 3.57Å; F47-I51 HydrophobicContact CE2-CD1 4.27Å; F47-I51 HydrophobicContact CG-CD1 4.45Å; F47-I51 HydrophobicContact CZ-CD1 3.75Å; F47-I51 WeakPolarHBondContact O-CG1 3.45Å; F47-I51 PolarHBondContact O-N 2.89Å; F47-I51 VanDerWaalsContact O-N 3.11Å; F47-V59 HydrophobicContact CE2-CG1 4.29Å; F47-T62 WeakPolarHBondContact CE2-OG1 3.47Å; F47-V63 HydrophobicContact CE2-CG2 4.37Å; F47-V63 HydrophobicContact CZ-CG2 4.24Å; F47-L149 HydrophobicContact CE1-CB 4.02Å; F47-V153 HydrophobicContact CE1-CG2 4.34Å
48V89.1Confident84Confident37 Ų3753.8 Ų53.822%0.22429%0.287CS..Hα-helixtrans-63-43.3174.7166.30000110.7I44 S46 D50 I51 I52 A146I44-V48 HydrophobicContact CG2-CG2 4.05Å; I44-V48 WeakPolarHBondContact O-CB 3.39Å; I44-V48 VanDerWaalsContact O-CG2 3.25Å; I44-V48 WeakPolarHBondContact O-CG2 3.48Å; I44-V48 PolarHBondContact O-N 2.95Å; S46-V48 PolarHBondContact O-N 3.15Å; V48-D50 PolarHBondContact O-N 3.46Å; V48-I51 PolarHBondContact O-N 2.95Å; V48-I52 HydrophobicContact CG1-CD1 3.65Å; V48-I52 HydrophobicContact CG1-CG1 4.44Å; V48-I52 VanDerWaalsContact O-CG1 3.26Å; V48-I52 WeakPolarHBondContact O-CG1 3.43Å; V48-I52 PolarHBondContact O-N 3.36Å; V48-A146 HydrophobicContact CG1-CB 4.17Å
49S90.2Very high84.8Confident50 Ų5053.3 Ų53.335%0.3529%0.285SS..Hα-helixtrans-60.9-42.9175.7173.80000112E45 S46 I51 I52 N53E45-S49 VanDerWaalsContact O-CB 3.22Å; E45-S49 WeakPolarHBondContact O-CB 3.49Å; E45-S49 PolarHBondContact O-N 3.22Å; S46-S49 WeakPolarHBondContact O-CB 3.24Å; S46-S49 PolarHBondContact O-N 3.06Å; S49-I51 VanDerWaalsContact C-N 3.34Å; S49-I51 PolarHBondContact O-N 3.39Å; S49-I52 PolarHBondContact O-N 3.13Å; S49-N53 WeakPolarHBondContact O-CB 3.22Å; S49-N53 VanDerWaalsContact O-CG 3.22Å; S49-N53 PolarHBondContact O-N 3.35Å; S49-N53 PolarHBondContact O-ND2 2.8Å; S49-N53 PolarHBondContact OG-ND2 3.12Å
50D89.6Confident85.4Confident32 Ų3254.9 Ų54.917%0.17129%0.293CS..Hα-helixtrans-64.3-38.2179-70.7-31.7000112.2S46 F47 V48 G54 H55 V59S46-D50 WeakPolarHBondContact O-CB 3.27Å; S46-D50 VanDerWaalsContact O-CG 3.22Å; S46-D50 PolarHBondContact O-N 3.44Å; F47-D50 PolarHBondContact O-N 3.21Å; V48-D50 PolarHBondContact O-N 3.46Å; D50-G54 PolarHBondContact O-N 2.76Å; D50-H55 HydrophobicContact CB-CB 4.35Å; D50-H55 PolarHBondContact O-N 2.88Å; D50-H55 IonicContact OD1-ND1 2.76Å; D50-H55 PolarHBondContact OD1-ND1 3.04Å; D50-V59 HydrophobicContact CB-CG2 4.07Å
51I89.1Confident85.9Confident0 Ų060.2 Ų60.20%032%0.317CS..Hα-helixtrans-67.1-44.8173.7-64164.6000111.1F47 V48 S49 N53 G54 W56 V59 L145 A146 L149F47-I51 HydrophobicContact CD1-CD1 3.94Å; F47-I51 HydrophobicContact CE1-CD1 3.57Å; F47-I51 HydrophobicContact CE2-CD1 4.27Å; F47-I51 HydrophobicContact CG-CD1 4.45Å; F47-I51 HydrophobicContact CZ-CD1 3.75Å; F47-I51 WeakPolarHBondContact O-CG1 3.45Å; F47-I51 PolarHBondContact O-N 2.89Å; F47-I51 VanDerWaalsContact O-N 3.11Å; V48-I51 PolarHBondContact O-N 2.95Å; S49-I51 VanDerWaalsContact C-N 3.34Å; S49-I51 PolarHBondContact O-N 3.39Å; I51-N53 VanDerWaalsContact C-N 3.32Å; I51-N53 PolarHBondContact O-N 3.24Å; I51-G54 PolarHBondContact O-N 3.43Å; I51-W56 HydrophobicContact CG2-CH2 4.25Å; I51-W56 HydrophobicContact CG2-CZ3 4.27Å; I51-V59 HydrophobicContact CG1-CG1 4.09Å; I51-V59 HydrophobicContact CG1-CG2 3.73Å; I51-L145 HydrophobicContact CG2-CB 4.48Å; I51-A146 HydrophobicContact CB-CB 4.1Å; I51-A146 HydrophobicContact CD1-CB 4.33Å; I51-A146 HydrophobicContact CG2-CB 3.83Å; I51-L149 HydrophobicContact CD1-CB 4.34Å; I51-L149 HydrophobicContact CD1-CD1 3.82Å
52I90.3Very high86.4Confident62 Ų6261.5 Ų61.532%0.31833%0.325SS..Hα-helixtrans-64.4-38.6-180-69.5168.4000111V48 S49 R142 Q143 A146V48-I52 HydrophobicContact CG1-CD1 3.65Å; V48-I52 HydrophobicContact CG1-CG1 4.44Å; V48-I52 VanDerWaalsContact O-CG1 3.26Å; V48-I52 WeakPolarHBondContact O-CG1 3.43Å; V48-I52 PolarHBondContact O-N 3.36Å; S49-I52 PolarHBondContact O-N 3.13Å; I52-R142 VanDerWaalsContact O-CD 3.24Å; I52-R142 WeakPolarHBondContact O-CD 3.49Å; I52-R142 PolarHBondContact O-NH1 3.08Å; I52-Q143 HydrophobicContact CG1-CG 4.48Å; I52-A146 HydrophobicContact CG1-CB 4.36Å
53N88.9Confident86.9Confident87 Ų8752.9 Ų52.947%0.46529%0.285SS..Hα-helixtrans-77.5-21.9178.2-66.4-34.5000112.8S49 I51 R142S49-N53 WeakPolarHBondContact O-CB 3.22Å; S49-N53 VanDerWaalsContact O-CG 3.22Å; S49-N53 PolarHBondContact O-N 3.35Å; S49-N53 PolarHBondContact O-ND2 2.8Å; S49-N53 PolarHBondContact OG-ND2 3.12Å; I51-N53 VanDerWaalsContact C-N 3.32Å; I51-N53 PolarHBondContact O-N 3.24Å; N53-R142 PolarHBondContact O-NH1 3.13Å
54G85.5Confident86.9Confident17 Ų1756.7 Ų56.718%0.17530%0.298CS..THydrogen-bonded Turntrans83.331.8-179.900000113.6D50 I51 W56D50-G54 PolarHBondContact O-N 2.76Å; I51-G54 PolarHBondContact O-N 3.43Å; G54-W56 VanDerWaalsContact O-CD1 3.29Å; G54-W56 PolarHBondContact O-N 2.98Å
55H89.5Confident86.5Confident82 Ų8260.1 Ų60.138%0.3831%0.308SS..  trans-78.767172.2-58.2147.7000110.2D50 D57 I58 V59D50-H55 HydrophobicContact CB-CB 4.35Å; D50-H55 PolarHBondContact O-N 2.88Å; D50-H55 IonicContact OD1-ND1 2.76Å; D50-H55 PolarHBondContact OD1-ND1 3.04Å; H55-D57 VanDerWaalsContact C-OD1 3.25Å; H55-D57 PolarHBondContact O-N 2.93Å; H55-I58 HydrophobicContact CB-CB 4.48Å; H55-I58 HydrophobicContact CB-CD1 4.15Å; H55-I58 HydrophobicContact CB-CG1 4.44Å; H55-I58 PolarHBondContact O-N 3.08Å; H55-I58 VanDerWaalsContact O-N 3.17Å; H55-V59 WeakPolarHBondContact O-CG2 3.43Å; H55-V59 PolarHBondContact O-N 3.36Å; H55-V59 VanDerWaalsContact O-N 3.1Å
56W88.4Confident86.1Confident27 Ų2753 Ų5310%0.10228%0.275CS..Hα-helixtrans-64.2-24.1-171.2-59118.8000114.1I51 G54 V59 L60 L76 Q79 I80 E83 R142I51-W56 HydrophobicContact CG2-CH2 4.25Å; I51-W56 HydrophobicContact CG2-CZ3 4.27Å; G54-W56 VanDerWaalsContact O-CD1 3.29Å; G54-W56 PolarHBondContact O-N 2.98Å; W56-V59 HydrophobicContact CE3-CB 4.3Å; W56-V59 HydrophobicContact CE3-CG1 4.36Å; W56-V59 HydrophobicContact CE3-CG2 4.46Å; W56-L60 VanDerWaalsContact O-CB 3.24Å; W56-L60 WeakPolarHBondContact O-CB 3.35Å; W56-L60 WeakPolarHBondContact O-CG 3.38Å; W56-L60 PolarHBondContact O-N 2.66Å; W56-L76 HydrophobicContact CE3-CD1 4.04Å; W56-L76 HydrophobicContact CH2-CD1 4.41Å; W56-L76 HydrophobicContact CZ3-CD1 3.5Å; W56-Q79 HydrophobicContact CH2-CG 3.95Å; W56-Q79 HydrophobicContact CZ2-CG 3.84Å; W56-I80 HydrophobicContact CB-CD1 4.37Å; W56-I80 HydrophobicContact CB-CG1 4.22Å; W56-I80 HydrophobicContact CD2-CD1 4.27Å; W56-I80 HydrophobicContact CD2-CG1 3.58Å; W56-I80 HydrophobicContact CE3-CD1 4.03Å; W56-I80 HydrophobicContact CE3-CG1 3.68Å; W56-I80 HydrophobicContact CG-CD1 4.44Å; W56-I80 HydrophobicContact CG-CG1 3.82Å; W56-I80 HydrophobicContact CZ3-CG1 4.31Å; W56-E83 WeakPolarHBondContact CZ2-OE1 3.41Å; W56-E83 PolarHBondContact NE1-OE2 2.94Å; W56-R142 HydrophobicContact CZ2-CG 4.42Å
57D86.3Confident85.7Confident102 Ų10255.4 Ų55.455%0.54528%0.279SS..Hα-helixtrans-61.6-47.9172.958.4-35.8000111.9H55 Q61H55-D57 VanDerWaalsContact C-OD1 3.25Å; H55-D57 PolarHBondContact O-N 2.93Å; D57-Q61 WeakPolarHBondContact O-CB 3.41Å; D57-Q61 VanDerWaalsContact O-CG 3.28Å; D57-Q61 WeakPolarHBondContact O-CG 3.22Å; D57-Q61 PolarHBondContact O-N 3.33Å; D57-Q61 VanDerWaalsContact O-N 3.08Å
58I87.9Confident85.5Confident67 Ų6756 Ų5634%0.34428%0.282SS..Hα-helixtrans-69-42.2177.3-57.8175.8000110.2H55 Q61 T62H55-I58 HydrophobicContact CB-CB 4.48Å; H55-I58 HydrophobicContact CB-CD1 4.15Å; H55-I58 HydrophobicContact CB-CG1 4.44Å; H55-I58 PolarHBondContact O-N 3.08Å; H55-I58 VanDerWaalsContact O-N 3.17Å; I58-Q61 PolarHBondContact O-N 2.82Å; I58-T62 WeakPolarHBondContact O-CG2 3.46Å; I58-T62 PolarHBondContact O-N 3.02Å; I58-T62 PolarHBondContact O-OG1 3.45Å
59V87.5Confident85.3Confident0 Ų056.8 Ų56.80%029%0.288CS..Hα-helixtrans-63.6-43.3178.7177.90000111.1F47 D50 I51 H55 W56 T62 V63 L76F47-V59 HydrophobicContact CE2-CG1 4.29Å; D50-V59 HydrophobicContact CB-CG2 4.07Å; I51-V59 HydrophobicContact CG1-CG1 4.09Å; I51-V59 HydrophobicContact CG1-CG2 3.73Å; H55-V59 WeakPolarHBondContact O-CG2 3.43Å; H55-V59 PolarHBondContact O-N 3.36Å; H55-V59 VanDerWaalsContact O-N 3.1Å; W56-V59 HydrophobicContact CE3-CB 4.3Å; W56-V59 HydrophobicContact CE3-CG1 4.36Å; W56-V59 HydrophobicContact CE3-CG2 4.46Å; V59-T62 WeakPolarHBondContact CA-OG1 3.35Å; V59-T62 PolarHBondContact O-N 2.88Å; V59-T62 PolarHBondContact O-OG1 3.41Å; V59-V63 HydrophobicContact CG1-CG2 4.03Å; V59-V63 VanDerWaalsContact O-CB 3.25Å; V59-V63 WeakPolarHBondContact O-CB 3.25Å; V59-V63 WeakPolarHBondContact O-CG2 3.49Å; V59-V63 PolarHBondContact O-N 2.93Å; V59-L76 HydrophobicContact CG1-CD1 4.24Å; V59-L76 HydrophobicContact CG1-CD2 4.41Å
60L87.1Confident85.1Confident51 Ų5160.4 Ų60.427%0.26730%0.299SS..Hα-helixtrans-68-37.9177.6-73.6171.8000112.1W56 T62 V63 Q64 Y77 I80W56-L60 VanDerWaalsContact O-CB 3.24Å; W56-L60 WeakPolarHBondContact O-CB 3.35Å; W56-L60 WeakPolarHBondContact O-CG 3.38Å; W56-L60 PolarHBondContact O-N 2.66Å; L60-T62 VanDerWaalsContact C-N 3.26Å; L60-T62 PolarHBondContact O-N 3.47Å; L60-V63 PolarHBondContact O-N 3.48Å; L60-Q64 WeakPolarHBondContact O-CB 3.37Å; L60-Q64 PolarHBondContact O-N 3.17Å; L60-Y77 HydrophobicContact CD2-CE1 4.04Å; L60-I80 HydrophobicContact CD1-CD1 4.19Å; L60-I80 HydrophobicContact CD2-CD1 3.89Å; L60-I80 HydrophobicContact CG-CD1 4.07Å
61Q85.4Confident85Confident124 Ų12465.4 Ų65.458%0.57932%0.322SS*.Hα-helixtrans-64.8-30.5175.6-77.8179.920.100113.1D57 I58 Q64 Y65D57-Q61 WeakPolarHBondContact O-CB 3.41Å; D57-Q61 VanDerWaalsContact O-CG 3.28Å; D57-Q61 WeakPolarHBondContact O-CG 3.22Å; D57-Q61 PolarHBondContact O-N 3.33Å; D57-Q61 VanDerWaalsContact O-N 3.08Å; I58-Q61 PolarHBondContact O-N 2.82Å; Q61-Q64 VanDerWaalsContact O-CG 3.32Å; Q61-Q64 WeakPolarHBondContact O-CG 3.25Å; Q61-Q64 PolarHBondContact O-NE2 2.73Å; Q61-Y65 WeakPolarHBondContact O-CD2 3.46Å; Q61-Y65 WeakPolarHBondContact O-CE2 3.26Å
62T82.7Confident85Confident44 Ų4466.9 Ų66.927%0.2733%0.328SS..Hα-helixtrans-81.8-44.9175.647.70000111.1F47 I58 V59 L60 Q64 Y65F47-T62 WeakPolarHBondContact CE2-OG1 3.47Å; I58-T62 WeakPolarHBondContact O-CG2 3.46Å; I58-T62 PolarHBondContact O-N 3.02Å; I58-T62 PolarHBondContact O-OG1 3.45Å; V59-T62 WeakPolarHBondContact CA-OG1 3.35Å; V59-T62 PolarHBondContact O-N 2.88Å; V59-T62 PolarHBondContact O-OG1 3.41Å; L60-T62 VanDerWaalsContact C-N 3.26Å; L60-T62 PolarHBondContact O-N 3.47Å; T62-Q64 VanDerWaalsContact C-N 3.33Å; T62-Q64 PolarHBondContact O-N 3.49Å; T62-Y65 PolarHBondContact O-N 2.87Å
63V84.5Confident84.9Confident7 Ų765.5 Ų65.54%0.04232%0.321CS..Hα-helixtrans-64-31.4-179.2168.80000113.2F47 V59 L60 Y65 L66 L68 L73 L76F47-V63 HydrophobicContact CE2-CG2 4.37Å; F47-V63 HydrophobicContact CZ-CG2 4.24Å; V59-V63 HydrophobicContact CG1-CG2 4.03Å; V59-V63 VanDerWaalsContact O-CB 3.25Å; V59-V63 WeakPolarHBondContact O-CB 3.25Å; V59-V63 WeakPolarHBondContact O-CG2 3.49Å; V59-V63 PolarHBondContact O-N 2.93Å; L60-V63 PolarHBondContact O-N 3.48Å; V63-Y65 PolarHBondContact O-N 3.26Å; V63-L66 PolarHBondContact O-N 3.45Å; V63-L68 HydrophobicContact CG1-CD1 3.78Å; V63-L68 HydrophobicContact CG2-CD1 4.18Å; V63-L73 HydrophobicContact CG1-CD2 3.59Å; V63-L76 HydrophobicContact CG1-CD2 4.18Å; V63-L76 HydrophobicContact CG2-CD2 4.06Å
64Q81Confident84.9Confident120 Ų12061.7 Ų61.756%0.56130%0.301SS*.THydrogen-bonded Turntrans-58.3-21.1178.576-174.7-40.500114L60 Q61 T62L60-Q64 WeakPolarHBondContact O-CB 3.37Å; L60-Q64 PolarHBondContact O-N 3.17Å; Q61-Q64 VanDerWaalsContact O-CG 3.32Å; Q61-Q64 WeakPolarHBondContact O-CG 3.25Å; Q61-Q64 PolarHBondContact O-NE2 2.73Å; T62-Q64 VanDerWaalsContact C-N 3.33Å; T62-Q64 PolarHBondContact O-N 3.49Å
65Y75.3Confident85.1Confident134 Ų13463.1 Ų63.153%0.52530%0.304SS..THydrogen-bonded Turntrans-100.6-6.4179.5-56.1-65.7000113.1Q61 T62 V63Q61-Y65 WeakPolarHBondContact O-CD2 3.46Å; Q61-Y65 WeakPolarHBondContact O-CE2 3.26Å; T62-Y65 PolarHBondContact O-N 2.87Å; V63-Y65 PolarHBondContact O-N 3.26Å
66L77.3Confident85.2Confident14 Ų1459.2 Ų59.27%0.07329%0.286CS..SBendtrans-96135.1179.8-59.8175000109.4N39 V41 V63 L68 V153N39-L66 HydrophobicContact CB-CD2 4.07Å; V41-L66 HydrophobicContact CG2-CD1 4.21Å; V41-L66 HydrophobicContact CG2-CD2 4.47Å; V63-L66 PolarHBondContact O-N 3.45Å; L66-L68 HydrophobicContact CB-CD1 4.49Å; L66-L68 HydrophobicContact CB-CD2 4.27Å; L66-L68 HydrophobicContact CB-CG 3.95Å; L66-L68 PolarHBondContact O-N 3.36Å; L66-V153 HydrophobicContact CD1-CG2 3.94Å
67K78.1Confident85.3Confident103 Ų10360.1 Ų60.145%0.44829%0.29SS..  trans-88.589.3169-73-170.6-176.4174.10107.9N39N39-K67 PolarHBondContact ND2-O 3.24Å; N39-K67 VanDerWaalsContact ND2-O 3.09Å; N39-K67 PolarHBondContact OD1-N 3.4Å
68L82.1Confident85.4Confident16 Ų1655.9 Ų55.98%0.08427%0.267CS..  trans-93.2151177.8-64177000111.2V63 L66 L73 L149 E152V63-L68 HydrophobicContact CG1-CD1 3.78Å; V63-L68 HydrophobicContact CG2-CD1 4.18Å; L66-L68 HydrophobicContact CB-CD1 4.49Å; L66-L68 HydrophobicContact CB-CD2 4.27Å; L66-L68 HydrophobicContact CB-CG 3.95Å; L66-L68 PolarHBondContact O-N 3.36Å; L68-L73 HydrophobicContact CB-CD1 4.26Å; L68-L73 HydrophobicContact CB-CD2 4.19Å; L68-L73 HydrophobicContact CB-CG 3.92Å; L68-L73 HydrophobicContact CD1-CD2 4.02Å; L68-L149 HydrophobicContact CD1-CD2 3.59Å; L68-L149 HydrophobicContact CD2-CD2 4.44Å; L68-E152 HydrophobicContact CD2-CB 3.74Å; L68-E152 HydrophobicContact CD2-CG 4.22Å
69P85.8Confident85.5Confident54 Ų5452.7 Ų52.735%0.35125%0.25SS..  trans-55.8138.9171-23.933.4000111.8Q71 K72 L73P69-Q71 PolarHBondContact O-N 3.11Å; P69-Q71 VanDerWaalsContact O-N 3.13Å; P69-K72 HydrophobicContact CG-CD 4.33Å; P69-K72 PolarHBondContact O-N 3.28Å; P69-L73 PolarHBondContact O-N 2.72Å; P69-L73 VanDerWaalsContact O-N 3.15Å
70E85.1Confident85.6Confident125 Ų12552.9 Ų52.958%0.58425%0.252SS*.Hα-helixtrans-55.1-36.2-177.2-66.7-177.8176.900112.7L73 M74E70-L73 PolarHBondContact O-N 2.71Å; E70-M74 HydrophobicContact CB-CE 4.32Å; E70-M74 VanDerWaalsContact O-CG 3.3Å; E70-M74 WeakPolarHBondContact O-CG 3.3Å; E70-M74 PolarHBondContact O-N 3Å
71Q87.8Confident85.6Confident138 Ų13850.5 Ų50.565%0.64524%0.239SC*.Hα-helixtrans-61.9-45.9177.7-67.2-179.9-2.700112.8P69 L73 M74 D75P69-Q71 PolarHBondContact O-N 3.11Å; P69-Q71 VanDerWaalsContact O-N 3.13Å; Q71-L73 VanDerWaalsContact C-N 3.32Å; Q71-L73 PolarHBondContact O-N 3.36Å; Q71-M74 HydrophobicContact CB-CE 4.44Å; Q71-M74 HydrophobicContact CG-CE 4.07Å; Q71-M74 WeakPolarHBondContact O-CB 3.36Å; Q71-M74 PolarHBondContact O-N 3.34Å; Q71-D75 PolarHBondContact O-N 3.28Å
72K88.5Confident85.7Confident31 Ų3144.6 Ų44.614%0.13521%0.211CC..Hα-helixtrans-67.1-36.1178.9-64.9-173.1176.9-174.70111.2P69 D75 L76 S148 L149 E151 E152P69-K72 HydrophobicContact CG-CD 4.33Å; P69-K72 PolarHBondContact O-N 3.28Å; K72-D75 PolarHBondContact O-N 3.23Å; K72-L76 WeakPolarHBondContact O-CB 3.2Å; K72-L76 PolarHBondContact O-N 3.49Å; K72-S148 WeakPolarHBondContact CD-OG 3.23Å; K72-S148 WeakPolarHBondContact CE-OG 3.37Å; K72-S148 PolarHBondContact NZ-O 2.97Å; K72-L149 HydrophobicContact CB-CD2 4.3Å; K72-E151 IonicContact NZ-OE2 3.96Å; K72-E152 HydrophobicContact CD-CG 3.85Å; K72-E152 VanDerWaalsContact NZ-CG 3.29Å; K72-E152 IonicContact NZ-OE1 2.71Å; K72-E152 PolarHBondContact NZ-OE1 3.25Å
73L88.5Confident85.9Confident32 Ų3242.7 Ų42.717%0.16820%0.2CC..Hα-helixtrans-63.3-45.7172-73.9169.7000111.3V63 L68 P69 E70 Q71 D75 L76 Y77 P102V63-L73 HydrophobicContact CG1-CD2 3.59Å; L68-L73 HydrophobicContact CB-CD1 4.26Å; L68-L73 HydrophobicContact CB-CD2 4.19Å; L68-L73 HydrophobicContact CB-CG 3.92Å; L68-L73 HydrophobicContact CD1-CD2 4.02Å; P69-L73 PolarHBondContact O-N 2.72Å; P69-L73 VanDerWaalsContact O-N 3.15Å; E70-L73 PolarHBondContact O-N 2.71Å; Q71-L73 VanDerWaalsContact C-N 3.32Å; Q71-L73 PolarHBondContact O-N 3.36Å; L73-D75 VanDerWaalsContact C-N 3.32Å; L73-D75 PolarHBondContact O-N 3.37Å; L73-L76 PolarHBondContact O-N 3.33Å; L73-Y77 HydrophobicContact CD2-CE2 4.44Å; L73-Y77 VanDerWaalsContact O-CD2 3.25Å; L73-Y77 WeakPolarHBondContact O-CD2 3.34Å; L73-Y77 PolarHBondContact O-N 3.42Å; L73-P102 HydrophobicContact CB-CB 4.28Å; L73-P102 HydrophobicContact CB-CG 4.19Å
74M89.4Confident86Confident7 Ų743.9 Ų43.93%0.03421%0.206CC..Hα-helixtrans-57.2-45176.3-73.3-176-80.400111.6E70 Q71 L76 Y77 E78 P102 M106E70-M74 HydrophobicContact CB-CE 4.32Å; E70-M74 VanDerWaalsContact O-CG 3.3Å; E70-M74 WeakPolarHBondContact O-CG 3.3Å; E70-M74 PolarHBondContact O-N 3Å; Q71-M74 HydrophobicContact CB-CE 4.44Å; Q71-M74 HydrophobicContact CG-CE 4.07Å; Q71-M74 WeakPolarHBondContact O-CB 3.36Å; Q71-M74 PolarHBondContact O-N 3.34Å; M74-L76 PolarHBondContact O-N 3.04Å; M74-Y77 PolarHBondContact O-N 3.35Å; M74-E78 VanDerWaalsContact O-CB 3.3Å; M74-E78 WeakPolarHBondContact O-CB 3.44Å; M74-E78 PolarHBondContact O-N 2.98Å; M74-P102 HydrophobicContact CG-CB 4.28Å; M74-P102 WeakPolarHBondContact CG-O 3.47Å; M74-M106 HydrophobicContact CB-SD 4.36Å; M74-M106 HydrophobicContact CG-CB 4.05Å; M74-M106 VanDerWaalsContact SD-CA 3.5Å; M74-M106 HydrophobicContact SD-CB 3.54Å; M74-M106 VanDerWaalsContact SD-CB 3.54Å; M74-M106 HydrophobicContact SD-CG 3.97Å
75D89.5Confident86.3Confident47 Ų4738.8 Ų38.825%0.25118%0.182SC..Hα-helixtrans-66.4-36.1179.5-62.6-26.7000112.7Q71 K72 L73 Q79 R113 L145Q71-D75 PolarHBondContact O-N 3.28Å; K72-D75 PolarHBondContact O-N 3.23Å; L73-D75 VanDerWaalsContact C-N 3.32Å; L73-D75 PolarHBondContact O-N 3.37Å; D75-Q79 PolarHBondContact O-N 3.45Å; D75-Q79 VanDerWaalsContact O-N 3.14Å; D75-R113 IonicContact OD1-CZ 3.04Å; D75-R113 IonicContact OD1-NH1 3.22Å; D75-R113 PolarHBondContact OD1-NH1 2.85Å; D75-R113 IonicContact OD1-NH2 2.74Å; D75-R113 PolarHBondContact OD1-NH2 3.3Å; D75-L145 HydrophobicContact CB-CD2 3.68Å
76L90.3Very high86.8Confident0 Ų036.1 Ų36.10%017%0.174CC..Hα-helixtrans-65.3-51.4174.3176.366.2000111.6W56 V59 V63 K72 L73 M74 E78 Q79 I80 L149W56-L76 HydrophobicContact CE3-CD1 4.04Å; W56-L76 HydrophobicContact CH2-CD1 4.41Å; W56-L76 HydrophobicContact CZ3-CD1 3.5Å; V59-L76 HydrophobicContact CG1-CD1 4.24Å; V59-L76 HydrophobicContact CG1-CD2 4.41Å; V63-L76 HydrophobicContact CG1-CD2 4.18Å; V63-L76 HydrophobicContact CG2-CD2 4.06Å; K72-L76 WeakPolarHBondContact O-CB 3.2Å; K72-L76 PolarHBondContact O-N 3.49Å; L73-L76 PolarHBondContact O-N 3.33Å; M74-L76 PolarHBondContact O-N 3.04Å; L76-E78 VanDerWaalsContact C-N 3.29Å; L76-E78 PolarHBondContact O-N 3.37Å; L76-Q79 PolarHBondContact O-N 3.49Å; L76-I80 HydrophobicContact CD1-CD1 4.26Å; L76-I80 HydrophobicContact CG-CD1 4.08Å; L76-I80 WeakPolarHBondContact O-CG1 3.35Å; L76-I80 PolarHBondContact O-N 2.98Å; L76-L149 HydrophobicContact CD1-CD1 4.2Å; L76-L149 HydrophobicContact CD2-CD1 4.5Å
77Y90.2Very high87.3Confident46 Ų4641.6 Ų41.618%0.1820%0.203CC..Hα-helixtrans-63.9-36.2179.1-83.7-79.1000111.7L60 L73 M74 I80 I81 I96 T100 P102L60-Y77 HydrophobicContact CD2-CE1 4.04Å; L73-Y77 HydrophobicContact CD2-CE2 4.44Å; L73-Y77 VanDerWaalsContact O-CD2 3.25Å; L73-Y77 WeakPolarHBondContact O-CD2 3.34Å; L73-Y77 PolarHBondContact O-N 3.42Å; M74-Y77 PolarHBondContact O-N 3.35Å; Y77-I80 PolarHBondContact O-N 3.42Å; Y77-I81 WeakPolarHBondContact O-CD1 3.46Å; Y77-I81 VanDerWaalsContact O-CG1 3.25Å; Y77-I81 WeakPolarHBondContact O-CG1 3.35Å; Y77-I81 PolarHBondContact O-N 2.97Å; Y77-I96 HydrophobicContact CD1-CG2 3.84Å; Y77-I96 HydrophobicContact CE1-CG2 4.37Å; Y77-T100 HydrophobicContact CD1-CG2 4.27Å; Y77-T100 HydrophobicContact CE1-CG2 3.81Å; Y77-P102 HydrophobicContact CD2-CB 3.85Å; Y77-P102 HydrophobicContact CD2-CG 3.75Å; Y77-P102 HydrophobicContact CE2-CB 4.28Å; Y77-P102 HydrophobicContact CE2-CG 3.65Å
78E89.4Confident87.5Confident13 Ų1346.7 Ų46.76%0.06122%0.219CC..Hα-helixtrans-59.6-46.6173.1-178.4174.5149.500111.7M74 L76 I80 I81 I82 M106 R113 L117 R141M74-E78 VanDerWaalsContact O-CB 3.3Å; M74-E78 WeakPolarHBondContact O-CB 3.44Å; M74-E78 PolarHBondContact O-N 2.98Å; L76-E78 VanDerWaalsContact C-N 3.29Å; L76-E78 PolarHBondContact O-N 3.37Å; E78-I80 PolarHBondContact O-N 3.27Å; E78-I81 PolarHBondContact O-N 3.2Å; E78-I82 HydrophobicContact CG-CD1 3.97Å; E78-I82 WeakPolarHBondContact O-CG1 3.44Å; E78-I82 PolarHBondContact O-N 3.43Å; E78-M106 WeakPolarHBondContact OE2-CE 3.37Å; E78-R113 IonicContact OE2-CZ 2.8Å; E78-R113 IonicContact OE2-NE 3.46Å; E78-R113 PolarHBondContact OE2-NE 2.85Å; E78-R113 VanDerWaalsContact OE2-NE 3.17Å; E78-R113 IonicContact OE2-NH2 3.96Å; E78-R113 PolarHBondContact OE2-NH2 3.37Å; E78-L117 HydrophobicContact CB-CD1 4.31Å; E78-L117 HydrophobicContact CG-CD1 3.79Å; E78-L117 HydrophobicContact CG-CD2 3.75Å; E78-L117 HydrophobicContact CG-CG 4.27Å; E78-R141 VanDerWaalsContact CG-NH2 3.31Å; E78-R141 IonicContact OE1-CZ 2.62Å; E78-R141 IonicContact OE1-NH1 3.17Å; E78-R141 PolarHBondContact OE1-NH1 3.42Å; E78-R141 IonicContact OE1-NH2 2.71Å; E78-R141 PolarHBondContact OE1-NH2 3.15Å; E78-R141 IonicContact OE2-NH2 3.24Å
79Q89Confident87.7Confident0 Ų049.7 Ų49.70%024%0.236CC..Hα-helixtrans-63-42.5177.7-178.762.224.400112.1W56 D75 L76 I81 I82 E83 Y132 R141 L145W56-Q79 HydrophobicContact CH2-CG 3.95Å; W56-Q79 HydrophobicContact CZ2-CG 3.84Å; D75-Q79 PolarHBondContact O-N 3.45Å; D75-Q79 VanDerWaalsContact O-N 3.14Å; L76-Q79 PolarHBondContact O-N 3.49Å; Q79-I81 VanDerWaalsContact C-N 3.3Å; Q79-I81 PolarHBondContact O-N 3.23Å; Q79-I82 PolarHBondContact O-N 3.37Å; Q79-E83 PolarHBondContact NE2-OE1 3.21Å; Q79-E83 WeakPolarHBondContact O-CG 3.49Å; Q79-E83 PolarHBondContact O-N 3.08Å; Q79-Y132 PolarHBondContact NE2-OH 3.29Å; Q79-R141 VanDerWaalsContact OE1-CG 3.27Å; Q79-R141 VanDerWaalsContact OE1-NE 3.16Å; Q79-L145 HydrophobicContact CB-CD1 3.44Å; Q79-L145 VanDerWaalsContact CB-CD1 3.44Å; Q79-L145 HydrophobicContact CG-CD1 3.67Å
80I89.5Confident87.7Confident5 Ų550.5 Ų50.53%0.02624%0.236CC..Hα-helixtrans-59.6-43.3176.5-67167.6000110.5W56 L60 L76 Y77 E78 E83 L84 I96W56-I80 HydrophobicContact CB-CD1 4.37Å; W56-I80 HydrophobicContact CB-CG1 4.22Å; W56-I80 HydrophobicContact CD2-CD1 4.27Å; W56-I80 HydrophobicContact CD2-CG1 3.58Å; W56-I80 HydrophobicContact CE3-CD1 4.03Å; W56-I80 HydrophobicContact CE3-CG1 3.68Å; W56-I80 HydrophobicContact CG-CD1 4.44Å; W56-I80 HydrophobicContact CG-CG1 3.82Å; W56-I80 HydrophobicContact CZ3-CG1 4.31Å; L60-I80 HydrophobicContact CD1-CD1 4.19Å; L60-I80 HydrophobicContact CD2-CD1 3.89Å; L60-I80 HydrophobicContact CG-CD1 4.07Å; L76-I80 HydrophobicContact CD1-CD1 4.26Å; L76-I80 HydrophobicContact CG-CD1 4.08Å; L76-I80 WeakPolarHBondContact O-CG1 3.35Å; L76-I80 PolarHBondContact O-N 2.98Å; Y77-I80 PolarHBondContact O-N 3.42Å; E78-I80 PolarHBondContact O-N 3.27Å; I80-E83 PolarHBondContact O-N 3.22Å; I80-L84 HydrophobicContact CG2-CD1 3.92Å; I80-L84 HydrophobicContact CG2-CG 4.4Å; I80-L84 VanDerWaalsContact O-CG 3.29Å; I80-L84 WeakPolarHBondContact O-CG 3.47Å; I80-L84 PolarHBondContact O-N 3.21Å; I80-I96 HydrophobicContact CG2-CD1 4.28Å
81I88.5Confident87.9Confident0 Ų047 Ų470%023%0.234CC..Hα-helixtrans-63-47.1178-70.7165.1000110.7Y77 E78 Q79 E83 L84 I85 A93 I96 L97 M103 L117Y77-I81 WeakPolarHBondContact O-CD1 3.46Å; Y77-I81 VanDerWaalsContact O-CG1 3.25Å; Y77-I81 WeakPolarHBondContact O-CG1 3.35Å; Y77-I81 PolarHBondContact O-N 2.97Å; E78-I81 PolarHBondContact O-N 3.2Å; Q79-I81 VanDerWaalsContact C-N 3.3Å; Q79-I81 PolarHBondContact O-N 3.23Å; I81-E83 VanDerWaalsContact C-N 3.27Å; I81-E83 PolarHBondContact O-N 2.93Å; I81-L84 PolarHBondContact O-N 3.01Å; I81-I85 HydrophobicContact CG2-CD1 3.84Å; I81-I85 HydrophobicContact CG2-CG1 4.45Å; I81-I85 WeakPolarHBondContact O-CG1 3.43Å; I81-I85 PolarHBondContact O-N 3.09Å; I81-A93 HydrophobicContact CG2-CB 4.48Å; I81-I96 HydrophobicContact CD1-CG2 4.08Å; I81-I96 HydrophobicContact CG1-CB 4.42Å; I81-I96 HydrophobicContact CG1-CG2 3.9Å; I81-L97 HydrophobicContact CD1-CB 4.15Å; I81-L97 HydrophobicContact CD1-CD1 4.05Å; I81-M103 HydrophobicContact CD1-CE 3.71Å; I81-M103 HydrophobicContact CD1-CG 4.05Å; I81-M103 HydrophobicContact CD1-SD 3.95Å; I81-L117 HydrophobicContact CG2-CD2 4.44Å
82I87.2Confident88Confident0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-58.3-41.8178.4-69.5167.7000110.9E78 Q79 I85 E86 L117 F126 A131 Y132E78-I82 HydrophobicContact CG-CD1 3.97Å; E78-I82 WeakPolarHBondContact O-CG1 3.44Å; E78-I82 PolarHBondContact O-N 3.43Å; Q79-I82 PolarHBondContact O-N 3.37Å; I82-I85 PolarHBondContact O-N 3Å; I82-E86 PolarHBondContact O-N 3Å; I82-L117 HydrophobicContact CD1-CD2 4.31Å; I82-L117 HydrophobicContact CG1-CD2 3.97Å; I82-F126 HydrophobicContact CG2-CE2 4.06Å; I82-F126 HydrophobicContact CG2-CZ 4.02Å; I82-A131 HydrophobicContact CG2-CB 4.09Å; I82-Y132 HydrophobicContact CG2-CE1 4.4Å; I82-Y132 HydrophobicContact CG2-CE2 4.17Å
83E86.8Confident88Confident5 Ų540.4 Ų40.42%0.02321%0.209CC..Hα-helixtrans-72.1-34.3178.9-70.3-168.5-166.200113.7W56 Q79 I80 I81 I85 E86 L87 K138 R142W56-E83 WeakPolarHBondContact CZ2-OE1 3.41Å; W56-E83 PolarHBondContact NE1-OE2 2.94Å; Q79-E83 PolarHBondContact NE2-OE1 3.21Å; Q79-E83 WeakPolarHBondContact O-CG 3.49Å; Q79-E83 PolarHBondContact O-N 3.08Å; I80-E83 PolarHBondContact O-N 3.22Å; I81-E83 VanDerWaalsContact C-N 3.27Å; I81-E83 PolarHBondContact O-N 2.93Å; E83-I85 VanDerWaalsContact C-N 3.31Å; E83-E86 WeakPolarHBondContact O-CB 3.24Å; E83-E86 PolarHBondContact O-N 3.26Å; E83-L87 WeakPolarHBondContact O-CG 3.17Å; E83-L87 PolarHBondContact O-N 3.19Å; E83-K138 WeakPolarHBondContact OE1-CE 3.47Å; E83-R142 IonicContact OE1-CZ 2.77Å; E83-R142 IonicContact OE1-NE 3.87Å; E83-R142 PolarHBondContact OE1-NE 3.35Å; E83-R142 IonicContact OE1-NH2 3.47Å; E83-R142 PolarHBondContact OE1-NH2 2.92Å; E83-R142 IonicContact OE2-CZ 2.78Å; E83-R142 IonicContact OE2-NE 3.32Å; E83-R142 IonicContact OE2-NH2 3.31Å; E83-R142 PolarHBondContact OE2-NH2 3.04Å
84L87.5Confident88.1Confident32 Ų3243.6 Ų43.617%0.16822%0.219CC..Hα-helixtrans-66.6-35.2172.4-71.8170.8000111.7I80 I81 L87 R88 D89 A92 A93 I96I80-L84 HydrophobicContact CG2-CD1 3.92Å; I80-L84 HydrophobicContact CG2-CG 4.4Å; I80-L84 VanDerWaalsContact O-CG 3.29Å; I80-L84 WeakPolarHBondContact O-CG 3.47Å; I80-L84 PolarHBondContact O-N 3.21Å; I81-L84 PolarHBondContact O-N 3.01Å; L84-L87 PolarHBondContact O-N 3.14Å; L84-R88 PolarHBondContact O-N 3.38Å; L84-D89 HydrophobicContact CD2-CB 4.46Å; L84-D89 PolarHBondContact O-N 3.09Å; L84-A92 HydrophobicContact CD1-CB 4.23Å; L84-A92 HydrophobicContact CD2-CB 4.43Å; L84-A93 HydrophobicContact CB-CB 3.82Å; L84-A93 HydrophobicContact CD1-CB 4.46Å; L84-I96 HydrophobicContact CD1-CD1 3.42Å; L84-I96 VanDerWaalsContact CD1-CD1 3.42Å
85I86.2Confident88.1Confident12 Ų1245.5 Ų45.56%0.06223%0.232CC..Hα-helixtrans-65.2-42.6172.4-62.1163.8000110.3I81 I82 E83 L87 R88 A93 L120 L121 F126I81-I85 HydrophobicContact CG2-CD1 3.84Å; I81-I85 HydrophobicContact CG2-CG1 4.45Å; I81-I85 WeakPolarHBondContact O-CG1 3.43Å; I81-I85 PolarHBondContact O-N 3.09Å; I82-I85 PolarHBondContact O-N 3Å; E83-I85 VanDerWaalsContact C-N 3.31Å; I85-L87 VanDerWaalsContact C-N 3.32Å; I85-L87 PolarHBondContact O-N 3.25Å; I85-R88 WeakPolarHBondContact O-CA 3.29Å; I85-R88 PolarHBondContact O-N 2.85Å; I85-A93 HydrophobicContact CG1-CB 4.17Å; I85-L120 HydrophobicContact CD1-CB 4.09Å; I85-L121 HydrophobicContact CD1-CD2 3.73Å; I85-L121 HydrophobicContact CD1-CG 3.78Å; I85-L121 HydrophobicContact CG1-CD2 3.53Å; I85-L121 HydrophobicContact CG1-CG 4.17Å; I85-F126 HydrophobicContact CB-CD2 4.31Å; I85-F126 HydrophobicContact CG2-CB 4.48Å; I85-F126 HydrophobicContact CG2-CD2 3.63Å; I85-F126 HydrophobicContact CG2-CE2 4.32Å; I85-F126 HydrophobicContact CG2-CG 4.46Å
86E86.3Confident88.1Confident78 Ų7844.9 Ų44.936%0.36423%0.229SC..Hα-helixtrans-59.8-41.4175.5-170.5-173.3172.200111.8I82 E83 R88 F126 K138I82-E86 PolarHBondContact O-N 3Å; E83-E86 WeakPolarHBondContact O-CB 3.24Å; E83-E86 PolarHBondContact O-N 3.26Å; E86-R88 PolarHBondContact O-N 3.37Å; E86-F126 HydrophobicContact CB-CD1 4.29Å; E86-F126 HydrophobicContact CB-CE1 4.05Å; E86-F126 HydrophobicContact CB-CZ 4.18Å; E86-F126 HydrophobicContact CG-CD1 4.16Å; E86-F126 HydrophobicContact CG-CE1 3.91Å; E86-F126 HydrophobicContact CG-CZ 4.48Å; E86-K138 IonicContact OE1-NZ 3.6Å; E86-K138 PolarHBondContact OE1-NZ 3.29Å; E86-K138 WeakPolarHBondContact OE2-CD 3.41Å; E86-K138 IonicContact OE2-NZ 2.71Å; E86-K138 PolarHBondContact OE2-NZ 3.48Å
87L86.6Confident88.1Confident130 Ų13045 Ų4568%0.68123%0.229SC*.THydrogen-bonded Turntrans-73.7-2174.7-68.6172.9000114E83 L84 I85 D89E83-L87 WeakPolarHBondContact O-CG 3.17Å; E83-L87 PolarHBondContact O-N 3.19Å; L84-L87 PolarHBondContact O-N 3.14Å; I85-L87 VanDerWaalsContact C-N 3.32Å; I85-L87 PolarHBondContact O-N 3.25Å; L87-D89 PolarHBondContact O-N 3.26Å
88R83.3Confident88Confident210 Ų21050.7 Ų50.779%0.79225%0.251SS*.THydrogen-bonded Turntrans61.720-175.6-56.4-175.2174.6-166.5-2.3114.9L84 I85 E86 I90L84-R88 PolarHBondContact O-N 3.38Å; I85-R88 WeakPolarHBondContact O-CA 3.29Å; I85-R88 PolarHBondContact O-N 2.85Å; E86-R88 PolarHBondContact O-N 3.37Å; R88-I90 VanDerWaalsContact C-N 3.28Å; R88-I90 PolarHBondContact O-N 3.39Å; R88-I90 VanDerWaalsContact O-N 3.1Å
89D86.4Confident88Confident79 Ų7957 Ų5742%0.42228%0.28SS..  trans-86.972.5170.2-166.1-12.4000110.6L84 L87 G91 A92 A93L84-D89 HydrophobicContact CD2-CB 4.46Å; L84-D89 PolarHBondContact O-N 3.09Å; L87-D89 PolarHBondContact O-N 3.26Å; D89-G91 PolarHBondContact O-N 2.99Å; D89-G91 PolarHBondContact OD1-N 3.22Å; D89-A92 HydrophobicContact CB-CB 4.39Å; D89-A92 VanDerWaalsContact CG-CB 3.48Å; D89-A92 WeakPolarHBondContact OD1-CB 3.32Å; D89-A92 PolarHBondContact OD1-N 2.96Å; D89-A92 WeakPolarHBondContact OD2-CB 3.16Å; D89-A93 WeakPolarHBondContact O-CB 3.25Å; D89-A93 PolarHBondContact O-N 3.42Å; D89-A93 VanDerWaalsContact O-N 3.15Å
90I86.6Confident88Confident70 Ų7058.2 Ų58.236%0.35929%0.288SS..Hα-helixtrans-65.7-29.6-178.5-55.7170.1000110.7R88 R94 L121R88-I90 VanDerWaalsContact C-N 3.28Å; R88-I90 PolarHBondContact O-N 3.39Å; R88-I90 VanDerWaalsContact O-N 3.1Å; I90-R94 HydrophobicContact CG2-CG 4.16Å; I90-R94 WeakPolarHBondContact O-CB 3.25Å; I90-R94 VanDerWaalsContact O-CG 3.25Å; I90-R94 WeakPolarHBondContact O-CG 3.44Å; I90-R94 PolarHBondContact O-N 3.42Å; I90-L121 HydrophobicContact CG2-CD2 4.43Å
91G88.7Confident87.9Confident52 Ų5265.3 Ų65.354%0.53632%0.32SS..Hα-helixtrans-64.9-52.8-179.900000111.6D89 R94 S95D89-G91 PolarHBondContact O-N 2.99Å; D89-G91 PolarHBondContact OD1-N 3.22Å; G91-R94 PolarHBondContact O-N 3.01Å; G91-S95 PolarHBondContact O-N 3.07Å
92A89.1Confident87.8Confident31 Ų3166.3 Ų66.326%0.25633%0.327SS..Hα-helixtrans-62-45.3176.700000111.5L84 D89 R94 S95 I96L84-A92 HydrophobicContact CD1-CB 4.23Å; L84-A92 HydrophobicContact CD2-CB 4.43Å; D89-A92 HydrophobicContact CB-CB 4.39Å; D89-A92 VanDerWaalsContact CG-CB 3.48Å; D89-A92 WeakPolarHBondContact OD1-CB 3.32Å; D89-A92 PolarHBondContact OD1-N 2.96Å; D89-A92 WeakPolarHBondContact OD2-CB 3.16Å; A92-R94 PolarHBondContact O-N 3.17Å; A92-S95 WeakPolarHBondContact O-CB 3.41Å; A92-S95 PolarHBondContact O-N 3.34Å; A92-S95 VanDerWaalsContact O-N 3.13Å; A92-I96 WeakPolarHBondContact O-CG1 3.4Å; A92-I96 PolarHBondContact O-N 3.45Å
93A89.1Confident87.8Confident0 Ų066.3 Ų66.30%033%0.327CS..Hα-helixtrans-61.2-42.3-179.700000112.6I81 L84 I85 D89 I96 L97 L121I81-A93 HydrophobicContact CG2-CB 4.48Å; L84-A93 HydrophobicContact CB-CB 3.82Å; L84-A93 HydrophobicContact CD1-CB 4.46Å; I85-A93 HydrophobicContact CG1-CB 4.17Å; D89-A93 WeakPolarHBondContact O-CB 3.25Å; D89-A93 PolarHBondContact O-N 3.42Å; D89-A93 VanDerWaalsContact O-N 3.15Å; A93-I96 PolarHBondContact O-N 3.26Å; A93-L97 WeakPolarHBondContact O-CB 3.38Å; A93-L97 PolarHBondContact O-N 3.41Å; A93-L121 HydrophobicContact CB-CD2 3.49Å; A93-L121 VanDerWaalsContact CB-CD2 3.49Å
94R90.3Very high87.9Confident99 Ų9970.2 Ų70.237%0.37435%0.347SS..Hα-helixtrans-65.2-38.1174.1-76.6179.1-177.5-154.8-4.4112.6I90 G91 A92 R98 L121 N122I90-R94 HydrophobicContact CG2-CG 4.16Å; I90-R94 WeakPolarHBondContact O-CB 3.25Å; I90-R94 VanDerWaalsContact O-CG 3.25Å; I90-R94 WeakPolarHBondContact O-CG 3.44Å; I90-R94 PolarHBondContact O-N 3.42Å; G91-R94 PolarHBondContact O-N 3.01Å; A92-R94 PolarHBondContact O-N 3.17Å; R94-R98 WeakPolarHBondContact O-CG 3.42Å; R94-R98 PolarHBondContact O-N 3.07Å; R94-L121 HydrophobicContact CG-CD1 4.35Å; R94-L121 HydrophobicContact CG-CD2 4.21Å; R94-L121 PolarHBondContact NH2-O 3.38Å; R94-N122 PolarHBondContact NH2-OD1 3.36Å; R94-N122 VanDerWaalsContact NH2-OD1 3.08Å
95S90.4Very high88Confident46 Ų4670.1 Ų70.132%0.32235%0.348SS..Hα-helixtrans-64.1-47.3177.6-158.50000110.6G91 A92 R98 Q99G91-S95 PolarHBondContact O-N 3.07Å; A92-S95 WeakPolarHBondContact O-CB 3.41Å; A92-S95 PolarHBondContact O-N 3.34Å; A92-S95 VanDerWaalsContact O-N 3.13Å; S95-R98 PolarHBondContact O-N 3.31Å; S95-Q99 VanDerWaalsContact O-CB 3.23Å; S95-Q99 WeakPolarHBondContact O-CB 3.35Å; S95-Q99 WeakPolarHBondContact O-CG 3.3Å; S95-Q99 PolarHBondContact O-N 3.31Å; S95-Q99 PolarHBondContact OG-NE2 3.19Å; S95-Q99 PolarHBondContact OG-OE1 3.03Å
96I89.1Confident88.1Confident35 Ų3569.6 Ų69.618%0.17935%0.345CS..Hα-helixtrans-62.7-47.9179-68.1169.7000110.5Y77 I80 I81 L84 A92 A93 R98 T100Y77-I96 HydrophobicContact CD1-CG2 3.84Å; Y77-I96 HydrophobicContact CE1-CG2 4.37Å; I80-I96 HydrophobicContact CG2-CD1 4.28Å; I81-I96 HydrophobicContact CD1-CG2 4.08Å; I81-I96 HydrophobicContact CG1-CB 4.42Å; I81-I96 HydrophobicContact CG1-CG2 3.9Å; L84-I96 HydrophobicContact CD1-CD1 3.42Å; L84-I96 VanDerWaalsContact CD1-CD1 3.42Å; A92-I96 WeakPolarHBondContact O-CG1 3.4Å; A92-I96 PolarHBondContact O-N 3.45Å; A93-I96 PolarHBondContact O-N 3.26Å; I96-R98 PolarHBondContact O-N 2.99Å; I96-T100 HydrophobicContact CB-CG2 4.46Å; I96-T100 HydrophobicContact CG2-CG2 3.93Å; I96-T100 WeakPolarHBondContact O-CB 3.43Å; I96-T100 WeakPolarHBondContact O-CG2 3.44Å; I96-T100 PolarHBondContact O-N 3.19Å; I96-T100 VanDerWaalsContact O-N 3.17Å; I96-T100 PolarHBondContact O-OG1 3.44Å
97L89.5Confident88.2Confident2 Ų271.6 Ų71.61%0.0135%0.353CS..Hα-helixtrans-57.2-36.5179.8-177.366.5000112.9I81 A93 M103 Y114 D118 L121I81-L97 HydrophobicContact CD1-CB 4.15Å; I81-L97 HydrophobicContact CD1-CD1 4.05Å; A93-L97 WeakPolarHBondContact O-CB 3.38Å; A93-L97 PolarHBondContact O-N 3.41Å; L97-M103 HydrophobicContact CD1-CB 4.35Å; L97-M103 HydrophobicContact CD1-CE 3.32Å; L97-M103 HydrophobicContact CD1-CG 4.43Å; L97-M103 WeakPolarHBondContact O-CB 3.36Å; L97-Y114 HydrophobicContact CD1-CD2 3.83Å; L97-Y114 HydrophobicContact CD1-CE2 3.42Å; L97-Y114 VanDerWaalsContact CD1-CE2 3.42Å; L97-Y114 HydrophobicContact CD2-CE2 4.38Å; L97-Y114 HydrophobicContact CG-CE2 3.79Å; L97-D118 HydrophobicContact CD2-CB 4.33Å; L97-L121 HydrophobicContact CB-CD1 4.21Å; L97-L121 HydrophobicContact CD2-CD1 3.31Å; L97-L121 HydrophobicContact CG-CD1 4.33Å
98R88.4Confident88.4Confident166 Ų16675.7 Ų75.763%0.62636%0.359SS*.Hα-helixtrans-92.2-30.2-175-69-178-179.8-174.5-0.1114.7R94 S95 I96R94-R98 WeakPolarHBondContact O-CG 3.42Å; R94-R98 PolarHBondContact O-N 3.07Å; S95-R98 PolarHBondContact O-N 3.31Å; I96-R98 PolarHBondContact O-N 2.99Å
99Q89.9Confident88.6Confident145 Ų14569.6 Ų69.668%0.67835%0.345SS*.Hα-helixtrans-102-20-169.8-63.7176.4-9.900113.6S95S95-Q99 VanDerWaalsContact O-CB 3.23Å; S95-Q99 WeakPolarHBondContact O-CB 3.35Å; S95-Q99 WeakPolarHBondContact O-CG 3.3Å; S95-Q99 PolarHBondContact O-N 3.31Å; S95-Q99 PolarHBondContact OG-NE2 3.19Å; S95-Q99 PolarHBondContact OG-OE1 3.03Å
100T87.9Confident88.7Confident26 Ų2669 Ų6916%0.1634%0.34CS..  trans-85.1135.6-175.959.50000112.1Y77 I96 M103 I104Y77-T100 HydrophobicContact CD1-CG2 4.27Å; Y77-T100 HydrophobicContact CE1-CG2 3.81Å; I96-T100 HydrophobicContact CB-CG2 4.46Å; I96-T100 HydrophobicContact CG2-CG2 3.93Å; I96-T100 WeakPolarHBondContact O-CB 3.43Å; I96-T100 WeakPolarHBondContact O-CG2 3.44Å; I96-T100 PolarHBondContact O-N 3.19Å; I96-T100 VanDerWaalsContact O-N 3.17Å; I96-T100 PolarHBondContact O-OG1 3.44Å; T100-M103 PolarHBondContact O-N 3.37Å; T100-M103 WeakPolarHBondContact OG1-CG 3.45Å; T100-I104 WeakPolarHBondContact O-CG1 3.36Å; T100-I104 PolarHBondContact O-N 3.34Å
101E87.3Confident88.8Confident153 Ų15368.9 Ų68.972%0.71534%0.344SS*.Hα-helixtrans-58.8-43.2-178.7-173.2175.6-164.900113.2M103 I104 T105E101-M103 VanDerWaalsContact C-N 3.28Å; E101-M103 PolarHBondContact O-N 3.07Å; E101-I104 PolarHBondContact O-N 2.97Å; E101-I104 VanDerWaalsContact O-N 3.14Å; E101-T105 PolarHBondContact O-N 3.17Å; E101-T105 PolarHBondContact O-OG1 2.96Å
102P87.5Confident88.8Confident22 Ų2272.9 Ų72.914%0.14335%0.353CS..Hα-helixtrans-59.6-35.9177.5-27.939.2000113.4L73 M74 Y77 T105 M106L73-P102 HydrophobicContact CB-CB 4.28Å; L73-P102 HydrophobicContact CB-CG 4.19Å; M74-P102 HydrophobicContact CG-CB 4.28Å; M74-P102 WeakPolarHBondContact CG-O 3.47Å; Y77-P102 HydrophobicContact CD2-CB 3.85Å; Y77-P102 HydrophobicContact CD2-CG 3.75Å; Y77-P102 HydrophobicContact CE2-CB 4.28Å; Y77-P102 HydrophobicContact CE2-CG 3.65Å; P102-T105 PolarHBondContact O-N 2.94Å; P102-M106 WeakPolarHBondContact O-CB 3.38Å; P102-M106 PolarHBondContact O-N 3.21Å
103M88Confident88.8Confident0 Ų075 Ų750%035%0.354CS..Hα-helixtrans-74.9-32178.7-62.5-51.1-63.900112.6I81 L97 T100 E101 T105 M106 K107 L117I81-M103 HydrophobicContact CD1-CE 3.71Å; I81-M103 HydrophobicContact CD1-CG 4.05Å; I81-M103 HydrophobicContact CD1-SD 3.95Å; L97-M103 HydrophobicContact CD1-CB 4.35Å; L97-M103 HydrophobicContact CD1-CE 3.32Å; L97-M103 HydrophobicContact CD1-CG 4.43Å; L97-M103 WeakPolarHBondContact O-CB 3.36Å; T100-M103 PolarHBondContact O-N 3.37Å; T100-M103 WeakPolarHBondContact OG1-CG 3.45Å; E101-M103 VanDerWaalsContact C-N 3.28Å; E101-M103 PolarHBondContact O-N 3.07Å; M103-T105 VanDerWaalsContact C-N 3.34Å; M103-M106 HydrophobicContact CE-SD 3.52Å; M103-M106 VanDerWaalsContact CE-SD 3.52Å; M103-M106 WeakPolarHBondContact O-CB 3.44Å; M103-M106 PolarHBondContact O-N 2.82Å; M103-M106 HydrophobicContact SD-SD 3.93Å; M103-K107 PolarHBondContact O-N 2.96Å; M103-L117 HydrophobicContact CE-CD1 3.5Å
104I88.9Confident88.7Confident86 Ų8676.2 Ų76.244%0.44136%0.359SS..Hα-helixtrans-65.6-41.1171.4-64.5166.3000110T100 E101 K107 R108T100-I104 WeakPolarHBondContact O-CG1 3.36Å; T100-I104 PolarHBondContact O-N 3.34Å; E101-I104 PolarHBondContact O-N 2.97Å; E101-I104 VanDerWaalsContact O-N 3.14Å; I104-K107 WeakPolarHBondContact O-CB 3.37Å; I104-K107 PolarHBondContact O-N 2.94Å; I104-R108 PolarHBondContact O-N 2.83Å
105T87.8Confident88.6Confident31 Ų3175 Ų7519%0.1936%0.363CS..Hα-helixtrans-65.8-40.3174.3-58.90000111.6E101 P102 M103 K107 R108 T109E101-T105 PolarHBondContact O-N 3.17Å; E101-T105 PolarHBondContact O-OG1 2.96Å; P102-T105 PolarHBondContact O-N 2.94Å; M103-T105 VanDerWaalsContact C-N 3.34Å; T105-K107 VanDerWaalsContact C-N 3.33Å; T105-K107 PolarHBondContact O-N 3.47Å; T105-R108 PolarHBondContact O-N 3.21Å; T105-R108 VanDerWaalsContact O-N 3.08Å; T105-T109 HydrophobicContact CG2-CG2 4.17Å; T105-T109 WeakPolarHBondContact O-CG2 3.42Å; T105-T109 PolarHBondContact O-N 3.1Å; T105-T109 PolarHBondContact O-OG1 3.41Å
106M88.7Confident88.5Confident0 Ų076.2 Ų76.20%036%0.363CS..Hα-helixtrans-60.3-41.7174.6-168.7172.7174.400112.1M74 E78 P102 M103 R108 T109 Q110 R113 L117M74-M106 HydrophobicContact CB-SD 4.36Å; M74-M106 HydrophobicContact CG-CB 4.05Å; M74-M106 VanDerWaalsContact SD-CA 3.5Å; M74-M106 HydrophobicContact SD-CB 3.54Å; M74-M106 VanDerWaalsContact SD-CB 3.54Å; M74-M106 HydrophobicContact SD-CG 3.97Å; E78-M106 WeakPolarHBondContact OE2-CE 3.37Å; P102-M106 WeakPolarHBondContact O-CB 3.38Å; P102-M106 PolarHBondContact O-N 3.21Å; M103-M106 HydrophobicContact CE-SD 3.52Å; M103-M106 VanDerWaalsContact CE-SD 3.52Å; M103-M106 WeakPolarHBondContact O-CB 3.44Å; M103-M106 PolarHBondContact O-N 2.82Å; M103-M106 HydrophobicContact SD-SD 3.93Å; M106-R108 PolarHBondContact O-N 2.97Å; M106-T109 PolarHBondContact O-N 2.93Å; M106-Q110 CarbonylContact O-C 3.58Å; M106-Q110 WeakPolarHBondContact O-CA 3.15Å; M106-Q110 PolarHBondContact O-N 3.23Å; M106-R113 HydrophobicContact CE-CB 3.19Å; M106-R113 HydrophobicContact CE-CG 4.15Å; M106-L117 HydrophobicContact CE-CD1 4.02Å; M106-L117 HydrophobicContact SD-CD1 4.38Å
107K89.5Confident88.3Confident121 Ų12174.6 Ų74.653%0.52636%0.355SS..Hα-helixtrans-58.9-32.3174.7-171.2177.9179.5178.10112.9M103 I104 T105 Y114M103-K107 PolarHBondContact O-N 2.96Å; I104-K107 WeakPolarHBondContact O-CB 3.37Å; I104-K107 PolarHBondContact O-N 2.94Å; T105-K107 VanDerWaalsContact C-N 3.33Å; T105-K107 PolarHBondContact O-N 3.47Å; K107-Y114 HydrophobicContact CB-CD1 4.4Å; K107-Y114 HydrophobicContact CB-CD2 3.69Å; K107-Y114 HydrophobicContact CB-CE2 3.99Å; K107-Y114 HydrophobicContact CB-CG 3.91Å; K107-Y114 HydrophobicContact CD-CD1 4.36Å; K107-Y114 HydrophobicContact CD-CE1 4.05Å; K107-Y114 HydrophobicContact CD-CE2 4.25Å; K107-Y114 HydrophobicContact CG-CD1 4.05Å; K107-Y114 HydrophobicContact CG-CD2 4.21Å; K107-Y114 HydrophobicContact CG-CE1 4.25Å; K107-Y114 HydrophobicContact CG-CE2 4.36Å; K107-Y114 HydrophobicContact CG-CG 4.05Å
108R89.3Confident88.2Confident215 Ų21576.8 Ų76.881%0.81137%0.367SS*.Hα-helixtrans-83.9-37.7179.6-67.4178.667.8-170.50.2113I104 T105 M106I104-R108 PolarHBondContact O-N 2.83Å; T105-R108 PolarHBondContact O-N 3.21Å; T105-R108 VanDerWaalsContact O-N 3.08Å; M106-R108 PolarHBondContact O-N 2.97Å
109T89.5Confident88.1Confident82 Ų8273 Ų7350%0.50336%0.359SS..Hα-helixtrans-92.1-36.2-17354.10000113T105 M106T105-T109 HydrophobicContact CG2-CG2 4.17Å; T105-T109 WeakPolarHBondContact O-CG2 3.42Å; T105-T109 PolarHBondContact O-N 3.1Å; T105-T109 PolarHBondContact O-OG1 3.41Å; M106-T109 PolarHBondContact O-N 2.93Å
110Q88.2Confident87.9Confident68 Ų6866.6 Ų66.632%0.31833%0.329SS..  trans-138.972-173.9-65.7-178.6-18.900110.4M106 D112 R113 Y114M106-Q110 CarbonylContact O-C 3.58Å; M106-Q110 WeakPolarHBondContact O-CA 3.15Å; M106-Q110 PolarHBondContact O-N 3.23Å; Q110-D112 VanDerWaalsContact C-N 3.29Å; Q110-D112 PolarHBondContact O-N 3.46Å; Q110-R113 PolarHBondContact O-N 2.76Å; Q110-Y114 PolarHBondContact O-N 3.32Å
111P88.9Confident87.7Confident67 Ų6765.6 Ų65.644%0.43532%0.323SS..Hα-helixtrans-60.9-35.8-174.724.6-34000112.7R113 Y114 T115P111-R113 PolarHBondContact O-N 3.02Å; P111-Y114 PolarHBondContact O-N 2.63Å; P111-T115 PolarHBondContact O-N 3.22Å; P111-T115 PolarHBondContact O-OG1 3.22Å; P111-T115 VanDerWaalsContact O-OG1 3.12Å
112D88.7Confident87.4Confident136 Ų13662.9 Ų62.973%0.72731%0.313SS*.Hα-helixtrans-62-42.6-178-60.4-38.3000112.6Q110 T115 H116Q110-D112 VanDerWaalsContact C-N 3.29Å; Q110-D112 PolarHBondContact O-N 3.46Å; D112-T115 PolarHBondContact O-N 2.95Å; D112-H116 WeakPolarHBondContact O-CB 3.2Å; D112-H116 PolarHBondContact O-N 3.33Å
113R87.5Confident87Confident74 Ų7466.8 Ų66.828%0.27933%0.325SS..Hα-helixtrans-67.9-39.4177-67.2174.870.4177.19.2111.3D75 E78 M106 Q110 P111 H116 L117D75-R113 IonicContact OD1-CZ 3.04Å; D75-R113 IonicContact OD1-NH1 3.22Å; D75-R113 PolarHBondContact OD1-NH1 2.85Å; D75-R113 IonicContact OD1-NH2 2.74Å; D75-R113 PolarHBondContact OD1-NH2 3.3Å; E78-R113 IonicContact OE2-CZ 2.8Å; E78-R113 IonicContact OE2-NE 3.46Å; E78-R113 PolarHBondContact OE2-NE 2.85Å; E78-R113 VanDerWaalsContact OE2-NE 3.17Å; E78-R113 IonicContact OE2-NH2 3.96Å; E78-R113 PolarHBondContact OE2-NH2 3.37Å; M106-R113 HydrophobicContact CE-CB 3.19Å; M106-R113 HydrophobicContact CE-CG 4.15Å; Q110-R113 PolarHBondContact O-N 2.76Å; P111-R113 PolarHBondContact O-N 3.02Å; R113-H116 WeakPolarHBondContact O-CB 3.37Å; R113-H116 PolarHBondContact O-N 3.47Å; R113-L117 WeakPolarHBondContact O-CG 3.46Å; R113-L117 PolarHBondContact O-N 2.91Å; R113-L117 VanDerWaalsContact O-N 3.08Å
114Y88.3Confident86.2Confident26 Ų2672.3 Ų72.310%0.10236%0.364CS..Hα-helixtrans-63.3-44.7175.9-177.1-80.7000111.2L97 K107 Q110 P111 H116 L117 D118L97-Y114 HydrophobicContact CD1-CD2 3.83Å; L97-Y114 HydrophobicContact CD1-CE2 3.42Å; L97-Y114 VanDerWaalsContact CD1-CE2 3.42Å; L97-Y114 HydrophobicContact CD2-CE2 4.38Å; L97-Y114 HydrophobicContact CG-CE2 3.79Å; K107-Y114 HydrophobicContact CB-CD1 4.4Å; K107-Y114 HydrophobicContact CB-CD2 3.69Å; K107-Y114 HydrophobicContact CB-CE2 3.99Å; K107-Y114 HydrophobicContact CB-CG 3.91Å; K107-Y114 HydrophobicContact CD-CD1 4.36Å; K107-Y114 HydrophobicContact CD-CE1 4.05Å; K107-Y114 HydrophobicContact CD-CE2 4.25Å; K107-Y114 HydrophobicContact CG-CD1 4.05Å; K107-Y114 HydrophobicContact CG-CD2 4.21Å; K107-Y114 HydrophobicContact CG-CE1 4.25Å; K107-Y114 HydrophobicContact CG-CE2 4.36Å; K107-Y114 HydrophobicContact CG-CG 4.05Å; Q110-Y114 PolarHBondContact O-N 3.32Å; P111-Y114 PolarHBondContact O-N 2.63Å; Y114-H116 VanDerWaalsContact C-N 3.3Å; Y114-H116 PolarHBondContact O-N 3.32Å; Y114-L117 PolarHBondContact O-N 3.38Å; Y114-D118 HydrophobicContact CE1-CB 4.49Å; Y114-D118 PolarHBondContact O-N 3.17Å
115T87.6Confident85.5Confident73 Ų7374.9 Ų74.945%0.44837%0.369SS..Hα-helixtrans-63.5-36.5176.2-61.70000111.7P111 D112 D118 N119P111-T115 PolarHBondContact O-N 3.22Å; P111-T115 PolarHBondContact O-OG1 3.22Å; P111-T115 VanDerWaalsContact O-OG1 3.12Å; D112-T115 PolarHBondContact O-N 2.95Å; T115-D118 PolarHBondContact O-N 2.98Å; T115-N119 WeakPolarHBondContact O-CB 3.32Å; T115-N119 PolarHBondContact O-N 3.49Å; T115-N119 PolarHBondContact O-ND2 3.46Å
116H87.4Confident85Confident73 Ų7375.8 Ų75.834%0.33837%0.37SS..Hα-helixtrans-60.5-46.2173.2178.871.4000112D112 R113 Y114 N119 L120 E130D112-H116 WeakPolarHBondContact O-CB 3.2Å; D112-H116 PolarHBondContact O-N 3.33Å; R113-H116 WeakPolarHBondContact O-CB 3.37Å; R113-H116 PolarHBondContact O-N 3.47Å; Y114-H116 VanDerWaalsContact C-N 3.3Å; Y114-H116 PolarHBondContact O-N 3.32Å; H116-N119 WeakPolarHBondContact O-CB 3.42Å; H116-N119 PolarHBondContact O-N 2.99Å; H116-L120 WeakPolarHBondContact O-CG 3.39Å; H116-L120 PolarHBondContact O-N 3Å; H116-E130 PolarHBondContact CE1-O 2.89Å; H116-E130 PolarHBondContact NE2-O 3.41Å
117L85.3Confident84.3Confident0 Ų078.1 Ų78.10%038%0.383CS..Hα-helixtrans-65.4-40176.3-66.1168000112.9E78 I81 I82 M103 M106 R113 Y114 N119 L120 L121E78-L117 HydrophobicContact CB-CD1 4.31Å; E78-L117 HydrophobicContact CG-CD1 3.79Å; E78-L117 HydrophobicContact CG-CD2 3.75Å; E78-L117 HydrophobicContact CG-CG 4.27Å; I81-L117 HydrophobicContact CG2-CD2 4.44Å; I82-L117 HydrophobicContact CD1-CD2 4.31Å; I82-L117 HydrophobicContact CG1-CD2 3.97Å; M103-L117 HydrophobicContact CE-CD1 3.5Å; M106-L117 HydrophobicContact CE-CD1 4.02Å; M106-L117 HydrophobicContact SD-CD1 4.38Å; R113-L117 WeakPolarHBondContact O-CG 3.46Å; R113-L117 PolarHBondContact O-N 2.91Å; R113-L117 VanDerWaalsContact O-N 3.08Å; Y114-L117 PolarHBondContact O-N 3.38Å; L117-N119 VanDerWaalsContact C-N 3.31Å; L117-N119 PolarHBondContact O-N 2.95Å; L117-L120 HydrophobicContact CD2-CD1 4.43Å; L117-L120 PolarHBondContact O-N 3.47Å; L117-L121 WeakPolarHBondContact O-CG 3.41Å; L117-L121 PolarHBondContact O-N 3.46Å
118D87.1Confident83.5Confident49 Ų4976 Ų7626%0.26238%0.381SS..Hα-helixtrans-65.5-36.5176.3-161.848.2000111.4L97 Y114 T115 L121 N122L97-D118 HydrophobicContact CD2-CB 4.33Å; Y114-D118 HydrophobicContact CE1-CB 4.49Å; Y114-D118 PolarHBondContact O-N 3.17Å; T115-D118 PolarHBondContact O-N 2.98Å; D118-L121 PolarHBondContact O-N 3.48Å; D118-N122 PolarHBondContact O-N 2.84Å; D118-N122 PolarHBondContact O-ND2 2.82Å
119N86.6Confident82.6Confident87 Ų8775.7 Ų75.747%0.46538%0.38SS..Hα-helixtrans-64.9-43172.5-73.7-23.8000111.8T115 H116 L117 L121 N122 R123T115-N119 WeakPolarHBondContact O-CB 3.32Å; T115-N119 PolarHBondContact O-N 3.49Å; T115-N119 PolarHBondContact O-ND2 3.46Å; H116-N119 WeakPolarHBondContact O-CB 3.42Å; H116-N119 PolarHBondContact O-N 2.99Å; L117-N119 VanDerWaalsContact C-N 3.31Å; L117-N119 PolarHBondContact O-N 2.95Å; N119-L121 VanDerWaalsContact C-N 3.31Å; N119-L121 PolarHBondContact O-N 3.18Å; N119-N122 PolarHBondContact O-N 2.89Å; N119-R123 PolarHBondContact O-N 3.46Å
120L85.3Confident81.8Confident10 Ų1075 Ų755%0.05237%0.371CS..Hα-helixtrans-61.1-38.5175.3-71.3174000111.9I85 H116 L117 N122 R123 E130 A131I85-L120 HydrophobicContact CD1-CB 4.09Å; H116-L120 WeakPolarHBondContact O-CG 3.39Å; H116-L120 PolarHBondContact O-N 3Å; L117-L120 HydrophobicContact CD2-CD1 4.43Å; L117-L120 PolarHBondContact O-N 3.47Å; L120-N122 VanDerWaalsContact C-N 3.27Å; L120-N122 PolarHBondContact O-N 3.38Å; L120-R123 PolarHBondContact O-N 2.93Å; L120-E130 HydrophobicContact CD2-CB 4.18Å; L120-A131 HydrophobicContact CD1-CB 4.35Å
121L84.1Confident81Confident4 Ų472 Ų722%0.02136%0.358CS..Hα-helixtrans-69.7-19.2176.8-77.5165.8000115I85 I90 A93 R94 L97 L117 D118 N119I85-L121 HydrophobicContact CD1-CD2 3.73Å; I85-L121 HydrophobicContact CD1-CG 3.78Å; I85-L121 HydrophobicContact CG1-CD2 3.53Å; I85-L121 HydrophobicContact CG1-CG 4.17Å; I90-L121 HydrophobicContact CG2-CD2 4.43Å; A93-L121 HydrophobicContact CB-CD2 3.49Å; A93-L121 VanDerWaalsContact CB-CD2 3.49Å; R94-L121 HydrophobicContact CG-CD1 4.35Å; R94-L121 HydrophobicContact CG-CD2 4.21Å; R94-L121 PolarHBondContact NH2-O 3.38Å; L97-L121 HydrophobicContact CB-CD1 4.21Å; L97-L121 HydrophobicContact CD2-CD1 3.31Å; L97-L121 HydrophobicContact CG-CD1 4.33Å; L117-L121 WeakPolarHBondContact O-CG 3.41Å; L117-L121 PolarHBondContact O-N 3.46Å; D118-L121 PolarHBondContact O-N 3.48Å; N119-L121 VanDerWaalsContact C-N 3.31Å; N119-L121 PolarHBondContact O-N 3.18Å
122N82.1Confident80.3Confident96 Ų9669.5 Ų69.551%0.51334%0.34SS..Hα-helixtrans-97-9.1-179.2-72.8-38.2000113R94 D118 N119 L120R94-N122 PolarHBondContact NH2-OD1 3.36Å; R94-N122 VanDerWaalsContact NH2-OD1 3.08Å; D118-N122 PolarHBondContact O-N 2.84Å; D118-N122 PolarHBondContact O-ND2 2.82Å; N119-N122 PolarHBondContact O-N 2.89Å; L120-N122 VanDerWaalsContact C-N 3.27Å; L120-N122 PolarHBondContact O-N 3.38Å
123R78.9Confident79.4Confident104 Ų10466.7 Ų66.739%0.39233%0.331SS..SBendtrans-77.6147.8175.1-73-170.9178.1-151.616.6111.7N119 L120 Y125 E130N119-R123 PolarHBondContact O-N 3.46Å; L120-R123 PolarHBondContact O-N 2.93Å; R123-Y125 VanDerWaalsContact C-N 3.33Å; R123-E130 IonicContact CZ-OE1 3.31Å; R123-E130 IonicContact CZ-OE2 3.09Å; R123-E130 IonicContact NE-OE2 2.77Å; R123-E130 PolarHBondContact NE-OE2 2.99Å; R123-E130 IonicContact NH1-OE1 3.35Å; R123-E130 PolarHBondContact NH1-OE1 2.95Å; R123-E130 IonicContact NH1-OE2 2.71Å; R123-E130 PolarHBondContact NH1-OE2 2.89Å; R123-E130 VanDerWaalsContact NH2-CD 3.3Å; R123-E130 IonicContact NH2-OE1 3.71Å; R123-E130 PolarHBondContact NH2-OE1 3.35Å; R123-E130 IonicContact NH2-OE2 3.09Å; R123-E130 PolarHBondContact NH2-OE2 3.49Å
124S71.2Confident78Confident117 Ų11771.3 Ų71.382%0.81836%0.361SS*.SBendtrans-78.1-19178.953.10000113.4
125Y74Confident76.8Confident139 Ų13972.9 Ų72.955%0.54539%0.385SS..SBendtrans-134.2144.117760.3-86.9000110R123 D127R123-Y125 VanDerWaalsContact C-N 3.33Å; Y125-D127 HydrophobicContact CD2-CB 4.41Å; Y125-D127 HydrophobicContact CE2-CB 4.26Å
126F77.2Confident76.1Confident50 Ų5074 Ų7422%0.21939%0.385CS..  trans-82.9117.8171.7179.9-105.2000108.5I82 I85 E86 P128 A131 Y132I82-F126 HydrophobicContact CG2-CE2 4.06Å; I82-F126 HydrophobicContact CG2-CZ 4.02Å; I85-F126 HydrophobicContact CB-CD2 4.31Å; I85-F126 HydrophobicContact CG2-CB 4.48Å; I85-F126 HydrophobicContact CG2-CD2 3.63Å; I85-F126 HydrophobicContact CG2-CE2 4.32Å; I85-F126 HydrophobicContact CG2-CG 4.46Å; E86-F126 HydrophobicContact CB-CD1 4.29Å; E86-F126 HydrophobicContact CB-CE1 4.05Å; E86-F126 HydrophobicContact CB-CZ 4.18Å; E86-F126 HydrophobicContact CG-CD1 4.16Å; E86-F126 HydrophobicContact CG-CE1 3.91Å; E86-F126 HydrophobicContact CG-CZ 4.48Å; F126-P128 HydrophobicContact CD1-CG 4.09Å; F126-P128 HydrophobicContact CE1-CB 4.24Å; F126-P128 HydrophobicContact CE1-CG 3.94Å; F126-A131 HydrophobicContact CD2-CB 4.38Å; F126-A131 HydrophobicContact CE1-CB 4.46Å; F126-A131 HydrophobicContact CE2-CB 3.37Å; F126-A131 HydrophobicContact CZ-CB 3.42Å; F126-A131 VanDerWaalsContact CZ-CB 3.42Å; F126-Y132 HydrophobicContact CZ-CE2 4.28Å
127D74.6Confident75.8Confident50 Ų5072.7 Ų72.727%0.26738%0.384SS..  trans-100110.9168.7-167.5-17.9000109Y125 R129 E130 A131Y125-D127 HydrophobicContact CD2-CB 4.41Å; Y125-D127 HydrophobicContact CE2-CB 4.26Å; D127-R129 PolarHBondContact O-N 3.23Å; D127-R129 VanDerWaalsContact O-N 3.09Å; D127-R129 WeakPolarHBondContact OD1-CB 3.32Å; D127-R129 PolarHBondContact OD1-N 3.31Å; D127-E130 HydrophobicContact CB-CB 4.44Å; D127-E130 HydrophobicContact CB-CG 4.3Å; D127-E130 PolarHBondContact O-N 3.03Å; D127-A131 PolarHBondContact O-N 3.1Å
128P71.4Confident75.7Confident75 Ų7575 Ų7549%0.48740%0.395SS..Hα-helixtrans-55.9-25.8178-25.133.7000113.7F126 E130 Y132F126-P128 HydrophobicContact CD1-CG 4.09Å; F126-P128 HydrophobicContact CE1-CB 4.24Å; F126-P128 HydrophobicContact CE1-CG 3.94Å; P128-E130 VanDerWaalsContact C-N 3.34Å; P128-Y132 WeakPolarHBondContact O-CD2 3.29Å; P128-Y132 PolarHBondContact O-N 3.16Å
129R70.8Confident75.5Confident210 Ų21077.3 Ų77.379%0.79241%0.407SS*.Hα-helixtrans-74-26.6179.7-63.4-179.3179-177.20.2113.3D127 Y132D127-R129 PolarHBondContact O-N 3.23Å; D127-R129 VanDerWaalsContact O-N 3.09Å; D127-R129 WeakPolarHBondContact OD1-CB 3.32Å; D127-R129 PolarHBondContact OD1-N 3.31Å; R129-Y132 VanDerWaalsContact O-O 3.06Å
130E72.7Confident75.5Confident68 Ų6879 Ų7932%0.31841%0.41SS..Hα-helixtrans-87.7-30.9175.5-67.8-171.2165.800111.6H116 L120 R123 D127 P128H116-E130 PolarHBondContact CE1-O 2.89Å; H116-E130 PolarHBondContact NE2-O 3.41Å; L120-E130 HydrophobicContact CD2-CB 4.18Å; R123-E130 IonicContact CZ-OE1 3.31Å; R123-E130 IonicContact CZ-OE2 3.09Å; R123-E130 IonicContact NE-OE2 2.77Å; R123-E130 PolarHBondContact NE-OE2 2.99Å; R123-E130 IonicContact NH1-OE1 3.35Å; R123-E130 PolarHBondContact NH1-OE1 2.95Å; R123-E130 IonicContact NH1-OE2 2.71Å; R123-E130 PolarHBondContact NH1-OE2 2.89Å; R123-E130 VanDerWaalsContact NH2-CD 3.3Å; R123-E130 IonicContact NH2-OE1 3.71Å; R123-E130 PolarHBondContact NH2-OE1 3.35Å; R123-E130 IonicContact NH2-OE2 3.09Å; R123-E130 PolarHBondContact NH2-OE2 3.49Å; D127-E130 HydrophobicContact CB-CB 4.44Å; D127-E130 HydrophobicContact CB-CG 4.3Å; D127-E130 PolarHBondContact O-N 3.03Å; P128-E130 VanDerWaalsContact C-N 3.34Å
131A70.8Confident75.5Confident4 Ų480 Ų803%0.03341%0.413CS..Hα-helixtrans-74.5-28.9-179.900000113.6I82 L120 F126 D127I82-A131 HydrophobicContact CG2-CB 4.09Å; L120-A131 HydrophobicContact CD1-CB 4.35Å; F126-A131 HydrophobicContact CD2-CB 4.38Å; F126-A131 HydrophobicContact CE1-CB 4.46Å; F126-A131 HydrophobicContact CE2-CB 3.37Å; F126-A131 HydrophobicContact CZ-CB 3.42Å; F126-A131 VanDerWaalsContact CZ-CB 3.42Å; D127-A131 PolarHBondContact O-N 3.1Å
132Y75.6Confident75.7Confident15 Ų1581 Ų816%0.05942%0.416CS..SBendtrans-121.7126177.3-59.1-82.1000109.3Q79 I82 F126 P128 R129 Q136 K138 R141Q79-Y132 PolarHBondContact NE2-OH 3.29Å; I82-Y132 HydrophobicContact CG2-CE1 4.4Å; I82-Y132 HydrophobicContact CG2-CE2 4.17Å; F126-Y132 HydrophobicContact CZ-CE2 4.28Å; P128-Y132 WeakPolarHBondContact O-CD2 3.29Å; P128-Y132 PolarHBondContact O-N 3.16Å; R129-Y132 VanDerWaalsContact O-O 3.06Å; Y132-Q136 VanDerWaalsContact CB-O 3.25Å; Y132-Q136 WeakPolarHBondContact CB-O 3.39Å; Y132-K138 HydrophobicContact CE1-CB 4.4Å; Y132-K138 HydrophobicContact CE2-CB 4.34Å; Y132-K138 WeakPolarHBondContact OH-CB 3.47Å; Y132-R141 HydrophobicContact CE1-CB 4.27Å
133S68.7Low76.1Confident77 Ų7781.3 Ų81.354%0.53842%0.415SS..  trans-57.9149174.852.90000111.4G135 Q136S133-G135 PolarHBondContact O-N 2.84Å; S133-Q136 PolarHBondContact O-N 3.34Å
134D57.7Low76.6Confident171 Ų17179.2 Ų79.291%0.91442%0.42SS*.THydrogen-bonded Turntrans-44.3110.4-173.8-88.7-29.6000112.6
135G63.8Low77.4Confident58 Ų5874.2 Ų74.260%0.59838%0.384SS*.THydrogen-bonded Turntrans103.8-8.4176.400000116.4S133 K140S133-G135 PolarHBondContact O-N 2.84Å; G135-K140 PolarHBondContact O-NZ 3.32Å; G135-K140 VanDerWaalsContact O-NZ 3.09Å
136Q73.2Confident78.2Confident96 Ų9667.7 Ų67.745%0.44936%0.359SS..  trans-89.4130171.1-62.2-166.52.500110.6Y132 S133Y132-Q136 VanDerWaalsContact CB-O 3.25Å; Y132-Q136 WeakPolarHBondContact CB-O 3.39Å; S133-Q136 PolarHBondContact O-N 3.34Å
137S79.9Confident78.7Confident47 Ų4769 Ų6933%0.32937%0.371SS..  trans-102.5161.3166.1640000109.3D139 K140 R141S137-D139 PolarHBondContact O-N 2.69Å; S137-K140 PolarHBondContact O-N 3.48Å; S137-K140 VanDerWaalsContact O-N 3.1Å; S137-K140 WeakPolarHBondContact OG-CG 3.28Å; S137-K140 PolarHBondContact OG-N 2.88Å; S137-R141 PolarHBondContact O-N 2.99Å
138K83.3Confident79.4Confident49 Ų4968.3 Ų68.321%0.21337%0.37CS..Hα-helixtrans-44.7-48.6169.9179.6174.7-179.31630112.1E83 E86 Y132 K140 R141 R142E83-K138 WeakPolarHBondContact OE1-CE 3.47Å; E86-K138 IonicContact OE1-NZ 3.6Å; E86-K138 PolarHBondContact OE1-NZ 3.29Å; E86-K138 WeakPolarHBondContact OE2-CD 3.41Å; E86-K138 IonicContact OE2-NZ 2.71Å; E86-K138 PolarHBondContact OE2-NZ 3.48Å; Y132-K138 HydrophobicContact CE1-CB 4.4Å; Y132-K138 HydrophobicContact CE2-CB 4.34Å; Y132-K138 WeakPolarHBondContact OH-CB 3.47Å; K138-K140 PolarHBondContact O-N 3.43Å; K138-R141 PolarHBondContact O-N 3.1Å; K138-R142 VanDerWaalsContact CE-CZ 3.48Å; K138-R142 WeakPolarHBondContact O-CG 3.4Å; K138-R142 PolarHBondContact O-N 3.34Å
139D83.9Confident80.1Confident96 Ų9664.8 Ų64.851%0.51335%0.347SS..Hα-helixtrans-65.2-42.1-178.6-55.2-42.7000112.6S137 R141 R142 Q143S137-D139 PolarHBondContact O-N 2.69Å; D139-R141 VanDerWaalsContact C-N 3.3Å; D139-R141 PolarHBondContact O-N 3.23Å; D139-R142 PolarHBondContact O-N 3.32Å; D139-Q143 WeakPolarHBondContact O-CB 3.43Å; D139-Q143 VanDerWaalsContact O-CG 3.3Å; D139-Q143 WeakPolarHBondContact O-CG 3.15Å; D139-Q143 PolarHBondContact O-N 3.01Å
140K86.3Confident80.8Confident122 Ų12256.3 Ų56.353%0.5332%0.32SS..Hα-helixtrans-63.5-38.9176.5-75-177.1-175.1177.60111.5G135 S137 K138 Q143 A144G135-K140 PolarHBondContact O-NZ 3.32Å; G135-K140 VanDerWaalsContact O-NZ 3.09Å; S137-K140 PolarHBondContact O-N 3.48Å; S137-K140 VanDerWaalsContact O-N 3.1Å; S137-K140 WeakPolarHBondContact OG-CG 3.28Å; S137-K140 PolarHBondContact OG-N 2.88Å; K138-K140 PolarHBondContact O-N 3.43Å; K140-Q143 PolarHBondContact O-N 2.95Å; K140-A144 WeakPolarHBondContact O-CB 3.48Å; K140-A144 PolarHBondContact O-N 2.93Å
141R86.3Confident81.3Confident31 Ų3160 Ų6012%0.11734%0.337CS..Hα-helixtrans-69.1-42.2178.5-170.2160.8174.2172.710111.5E78 Q79 Y132 S137 K138 D139 Q143 A144 L145E78-R141 VanDerWaalsContact CG-NH2 3.31Å; E78-R141 IonicContact OE1-CZ 2.62Å; E78-R141 IonicContact OE1-NH1 3.17Å; E78-R141 PolarHBondContact OE1-NH1 3.42Å; E78-R141 IonicContact OE1-NH2 2.71Å; E78-R141 PolarHBondContact OE1-NH2 3.15Å; E78-R141 IonicContact OE2-NH2 3.24Å; Q79-R141 VanDerWaalsContact OE1-CG 3.27Å; Q79-R141 VanDerWaalsContact OE1-NE 3.16Å; Y132-R141 HydrophobicContact CE1-CB 4.27Å; S137-R141 PolarHBondContact O-N 2.99Å; K138-R141 PolarHBondContact O-N 3.1Å; D139-R141 VanDerWaalsContact C-N 3.3Å; D139-R141 PolarHBondContact O-N 3.23Å; R141-Q143 VanDerWaalsContact C-N 3.35Å; R141-Q143 PolarHBondContact O-N 3.26Å; R141-A144 PolarHBondContact O-N 3.35Å; R141-L145 HydrophobicContact CG-CD1 4.4Å; R141-L145 WeakPolarHBondContact O-CB 3.46Å; R141-L145 WeakPolarHBondContact O-CG 3.46Å; R141-L145 PolarHBondContact O-N 3.02Å
142R88Confident81.8Confident25 Ų2563 Ų639%0.09435%0.351CS..Hα-helixtrans-59.4-43.4171.3-72.6-178.2176.8-171.7-6.9112.1I52 N53 W56 E83 K138 D139 L145 A146I52-R142 VanDerWaalsContact O-CD 3.24Å; I52-R142 WeakPolarHBondContact O-CD 3.49Å; I52-R142 PolarHBondContact O-NH1 3.08Å; N53-R142 PolarHBondContact O-NH1 3.13Å; W56-R142 HydrophobicContact CZ2-CG 4.42Å; E83-R142 IonicContact OE1-CZ 2.77Å; E83-R142 IonicContact OE1-NE 3.87Å; E83-R142 PolarHBondContact OE1-NE 3.35Å; E83-R142 IonicContact OE1-NH2 3.47Å; E83-R142 PolarHBondContact OE1-NH2 2.92Å; E83-R142 IonicContact OE2-CZ 2.78Å; E83-R142 IonicContact OE2-NE 3.32Å; E83-R142 IonicContact OE2-NH2 3.31Å; E83-R142 PolarHBondContact OE2-NH2 3.04Å; K138-R142 VanDerWaalsContact CE-CZ 3.48Å; K138-R142 WeakPolarHBondContact O-CG 3.4Å; K138-R142 PolarHBondContact O-N 3.34Å; D139-R142 PolarHBondContact O-N 3.32Å; R142-L145 PolarHBondContact O-N 3.03Å; R142-A146 VanDerWaalsContact O-CB 3.31Å; R142-A146 WeakPolarHBondContact O-CB 3.33Å; R142-A146 PolarHBondContact O-N 2.97Å
143Q89.4Confident82Confident103 Ų10362.8 Ų62.848%0.48135%0.351SS..Hα-helixtrans-64.7-42.6176.6-74.8174.1-2.200112.5I52 D139 K140 R141 A146 T147I52-Q143 HydrophobicContact CG1-CG 4.48Å; D139-Q143 WeakPolarHBondContact O-CB 3.43Å; D139-Q143 VanDerWaalsContact O-CG 3.3Å; D139-Q143 WeakPolarHBondContact O-CG 3.15Å; D139-Q143 PolarHBondContact O-N 3.01Å; K140-Q143 PolarHBondContact O-N 2.95Å; R141-Q143 VanDerWaalsContact C-N 3.35Å; R141-Q143 PolarHBondContact O-N 3.26Å; Q143-A146 PolarHBondContact O-N 3.4Å; Q143-T147 WeakPolarHBondContact O-CB 3.25Å; Q143-T147 PolarHBondContact O-N 2.92Å; Q143-T147 PolarHBondContact O-OG1 3Å
144A89.4Confident82.4Confident61 Ų6161.9 Ų61.950%0.50434%0.344SS..Hα-helixtrans-63-42.6176.300000111.8K140 R141 T147 S148K140-A144 WeakPolarHBondContact O-CB 3.48Å; K140-A144 PolarHBondContact O-N 2.93Å; R141-A144 PolarHBondContact O-N 3.35Å; A144-T147 PolarHBondContact O-N 2.92Å; A144-S148 WeakPolarHBondContact O-CB 3.17Å; A144-S148 PolarHBondContact O-N 3.26Å
145L89.3Confident83.2Confident12 Ų1257.2 Ų57.26%0.06332%0.322CS..Hα-helixtrans-63.5-45.4174.1-73.9170.3000111.9I51 D75 Q79 R141 R142 T147 S148 L149I51-L145 HydrophobicContact CG2-CB 4.48Å; D75-L145 HydrophobicContact CB-CD2 3.68Å; Q79-L145 HydrophobicContact CB-CD1 3.44Å; Q79-L145 VanDerWaalsContact CB-CD1 3.44Å; Q79-L145 HydrophobicContact CG-CD1 3.67Å; R141-L145 HydrophobicContact CG-CD1 4.4Å; R141-L145 WeakPolarHBondContact O-CB 3.46Å; R141-L145 WeakPolarHBondContact O-CG 3.46Å; R141-L145 PolarHBondContact O-N 3.02Å; R142-L145 PolarHBondContact O-N 3.03Å; L145-T147 VanDerWaalsContact C-N 3.3Å; L145-T147 PolarHBondContact O-N 2.95Å; L145-S148 PolarHBondContact O-N 3.47Å; L145-L149 WeakPolarHBondContact O-CB 3.32Å; L145-L149 VanDerWaalsContact O-CG 3.3Å; L145-L149 WeakPolarHBondContact O-CG 3.49Å; L145-L149 PolarHBondContact O-N 3.34Å
146A89.1Confident83.3Confident2 Ų256.4 Ų56.42%0.01731%0.305CS..Hα-helixtrans-60.1-42.3177.800000111.5V48 I51 I52 R142 Q143 S150V48-A146 HydrophobicContact CG1-CB 4.17Å; I51-A146 HydrophobicContact CB-CB 4.1Å; I51-A146 HydrophobicContact CD1-CB 4.33Å; I51-A146 HydrophobicContact CG2-CB 3.83Å; I52-A146 HydrophobicContact CG1-CB 4.36Å; R142-A146 VanDerWaalsContact O-CB 3.31Å; R142-A146 WeakPolarHBondContact O-CB 3.33Å; R142-A146 PolarHBondContact O-N 2.97Å; Q143-A146 PolarHBondContact O-N 3.4Å; A146-S150 WeakPolarHBondContact O-CB 3.5Å; A146-S150 PolarHBondContact O-N 3.27Å; A146-S150 PolarHBondContact O-OG 2.89Å
147T89Confident83.1Confident78 Ų7854.7 Ų54.748%0.47931%0.308SS..Hα-helixtrans-63.6-51.1176.8-50.20000110.7Q143 A144 L145 L149 S150 E151Q143-T147 WeakPolarHBondContact O-CB 3.25Å; Q143-T147 PolarHBondContact O-N 2.92Å; Q143-T147 PolarHBondContact O-OG1 3Å; A144-T147 PolarHBondContact O-N 2.92Å; L145-T147 VanDerWaalsContact C-N 3.3Å; L145-T147 PolarHBondContact O-N 2.95Å; T147-L149 VanDerWaalsContact C-N 3.34Å; T147-L149 PolarHBondContact O-N 3.48Å; T147-S150 PolarHBondContact O-N 3.01Å; T147-S150 PolarHBondContact O-OG 2.72Å; T147-E151 PolarHBondContact O-N 3.48Å
148S88.4Confident82.6Confident34 Ų3457.2 Ų57.224%0.23832%0.323CS..Hα-helixtrans-61.2-39-179.9-178.50000113.2K72 A144 L145K72-S148 WeakPolarHBondContact CD-OG 3.23Å; K72-S148 WeakPolarHBondContact CE-OG 3.37Å; K72-S148 PolarHBondContact NZ-O 2.97Å; A144-S148 WeakPolarHBondContact O-CB 3.17Å; A144-S148 PolarHBondContact O-N 3.26Å; L145-S148 PolarHBondContact O-N 3.47Å
149L85.8Confident82.1Confident1 Ų157.6 Ų57.61%0.00533%0.332CS..Hα-helixtrans-75.6-33.8177.3-70172.2000112.1F47 I51 L68 K72 L76 L145 T147 E151 E152 V153F47-L149 HydrophobicContact CE1-CB 4.02Å; I51-L149 HydrophobicContact CD1-CB 4.34Å; I51-L149 HydrophobicContact CD1-CD1 3.82Å; L68-L149 HydrophobicContact CD1-CD2 3.59Å; L68-L149 HydrophobicContact CD2-CD2 4.44Å; K72-L149 HydrophobicContact CB-CD2 4.3Å; L76-L149 HydrophobicContact CD1-CD1 4.2Å; L76-L149 HydrophobicContact CD2-CD1 4.5Å; L145-L149 WeakPolarHBondContact O-CB 3.32Å; L145-L149 VanDerWaalsContact O-CG 3.3Å; L145-L149 WeakPolarHBondContact O-CG 3.49Å; L145-L149 PolarHBondContact O-N 3.34Å; T147-L149 VanDerWaalsContact C-N 3.34Å; T147-L149 PolarHBondContact O-N 3.48Å; L149-E151 VanDerWaalsContact C-N 3.27Å; L149-E151 PolarHBondContact O-N 2.86Å; L149-E152 PolarHBondContact O-N 3.45Å; L149-V153 WeakPolarHBondContact O-CG2 3.32Å
150S85.4Confident81.8Confident32 Ų3259.3 Ų59.322%0.22433%0.331CS..Hα-helixtrans-65.8-28.3177.771.20000113.3A146 T147 E152 V153A146-S150 WeakPolarHBondContact O-CB 3.5Å; A146-S150 PolarHBondContact O-N 3.27Å; A146-S150 PolarHBondContact O-OG 2.89Å; T147-S150 PolarHBondContact O-N 3.01Å; T147-S150 PolarHBondContact O-OG 2.72Å; S150-E152 VanDerWaalsContact C-N 3.27Å; S150-E152 PolarHBondContact O-N 3.15Å; S150-V153 PolarHBondContact O-N 3.32Å
151E84.4Confident81.5Confident145 Ų14554.9 Ų54.968%0.67831%0.313SS*.THydrogen-bonded Turntrans-66.8-26175.8-71.3173.9176.700113.3K72 T147 L149K72-E151 IonicContact NZ-OE2 3.96Å; T147-E151 PolarHBondContact O-N 3.48Å; L149-E151 VanDerWaalsContact C-N 3.27Å; L149-E151 PolarHBondContact O-N 2.86Å
152E80.4Confident81.1Confident68 Ų6857.3 Ų57.332%0.31833%0.328SS..THydrogen-bonded Turntrans-90.4-10.2-179.4-62.4-63.2159.700113.2N39 L68 K72 L149 S150N39-E152 VanDerWaalsContact CB-O 3.27Å; N39-E152 WeakPolarHBondContact CB-O 3.26Å; L68-E152 HydrophobicContact CD2-CB 3.74Å; L68-E152 HydrophobicContact CD2-CG 4.22Å; K72-E152 HydrophobicContact CD-CG 3.85Å; K72-E152 VanDerWaalsContact NZ-CG 3.29Å; K72-E152 IonicContact NZ-OE1 2.71Å; K72-E152 PolarHBondContact NZ-OE1 3.25Å; L149-E152 PolarHBondContact O-N 3.45Å; S150-E152 VanDerWaalsContact C-N 3.27Å; S150-E152 PolarHBondContact O-N 3.15Å
153V80.3Confident80.7Confident10 Ų1058 Ų586%0.06134%0.338CS..  trans-111.2133.8-169.9174.20000110V41 I44 F47 L66 L149 S150V41-V153 HydrophobicContact CB-CG1 3.6Å; V41-V153 HydrophobicContact CG2-CB 4.49Å; V41-V153 HydrophobicContact CG2-CG1 3.34Å; V41-V153 HydrophobicContact CG2-CG2 4.32Å; I44-V153 HydrophobicContact CG1-CG1 4.49Å; F47-V153 HydrophobicContact CE1-CG2 4.34Å; L66-V153 HydrophobicContact CD1-CG2 3.94Å; L149-V153 WeakPolarHBondContact O-CG2 3.32Å; S150-V153 PolarHBondContact O-N 3.32Å
154S78Confident80.3Confident58 Ų5856.7 Ų56.741%0.40634%0.335SS..BIsolated β-bridgetrans-112.7150.4174.858.80000111.3N39 T40 V41N39-S154 PolarHBondContact O-N 3.09Å; N39-S154 PolarHBondContact O-OG 2.91Å; T40-S154 VanDerWaalsContact CA-O 3.26Å; T40-S154 WeakPolarHBondContact CA-O 3.41Å; V41-S154 PolarHBondContact N-O 2.77Å
155V73.4Confident79.8Confident74 Ų7456.2 Ų56.245%0.44832%0.323SS..  trans-98.7125.8169.9178.60000108.1I44I44-V155 HydrophobicContact CB-CG2 4.17Å; I44-V155 HydrophobicContact CD1-CB 4.48Å; I44-V155 HydrophobicContact CD1-CG2 3.51Å; I44-V155 HydrophobicContact CG1-CG2 3.49Å; I44-V155 VanDerWaalsContact CG1-CG2 3.49Å
156V67Low79.2Confident40 Ų4058.3 Ų58.324%0.24234%0.339CS..  trans-121.2127.6170.6-172.50000107.9T40T40-V156 HydrophobicContact CG2-CB 4.22Å; T40-V156 HydrophobicContact CG2-CG2 3.62Å
157A68.7Low78.8Confident61 Ų6164 Ų6450%0.50437%0.365SS..  trans-58.2136.8177.900000110.3Q16Q16-A157 PolarHBondContact NE2-O 3.2Å
158P69.3Low78.3Confident99 Ų9962.5 Ų62.564%0.64336%0.361SS*.THydrogen-bonded Turntrans-61.4154.2-179.325.8-34000111.2E20 R160E20-P158 VanDerWaalsContact OE1-CA 3.25Å; E20-P158 WeakPolarHBondContact OE1-CA 3.46Å; P158-R160 VanDerWaalsContact C-N 3.26Å; P158-R160 PolarHBondContact O-N 3.4Å
159S72.6Confident77.6Confident57 Ų5762.8 Ų62.840%0.39936%0.359SS..THydrogen-bonded Turntrans61.523.5175.665.50000115.6E20 L161 L162 A163E20-S159 VanDerWaalsContact CD-N 3.27Å; E20-S159 PolarHBondContact OE1-N 2.99Å; E20-S159 VanDerWaalsContact OE2-CA 3.26Å; E20-S159 WeakPolarHBondContact OE2-CA 3.48Å; E20-S159 PolarHBondContact OE2-N 3.13Å; E20-S159 VanDerWaalsContact OE2-N 3.09Å; S159-L161 VanDerWaalsContact C-N 3.34Å; S159-L161 PolarHBondContact O-N 2.96Å; S159-L162 PolarHBondContact O-N 3.39Å; S159-L162 VanDerWaalsContact O-N 3.15Å; S159-A163 WeakPolarHBondContact O-CB 3.34Å; S159-A163 PolarHBondContact O-N 2.88Å
160R77.9Confident77.2Confident133 Ų13369.5 Ų69.550%0.50239%0.389SS..Hα-helixtrans-59.2-40.7-176.9-167.8170.3-179.3156-2113.2L13 P158 A163 L164L13-R160 HydrophobicContact CD1-CB 4.11Å; L13-R160 HydrophobicContact CD1-CG 3.87Å; P158-R160 VanDerWaalsContact C-N 3.26Å; P158-R160 PolarHBondContact O-N 3.4Å; R160-A163 PolarHBondContact O-N 3.42Å; R160-L164 HydrophobicContact CG-CD1 4.14Å; R160-L164 HydrophobicContact CG-CG 4.46Å; R160-L164 WeakPolarHBondContact O-CB 3.35Å; R160-L164 VanDerWaalsContact O-CG 3.3Å; R160-L164 WeakPolarHBondContact O-CG 3.41Å; R160-L164 PolarHBondContact O-N 3.49Å
161L78.9Confident76.9Confident29 Ų2975.3 Ų75.315%0.15241%0.406CS..Hα-helixtrans-59.7-48.9175.5177.264.6000111.3L13 Y17 S159 A163 L164 L165L13-L161 HydrophobicContact CD2-CB 4.01Å; L13-L161 HydrophobicContact CD2-CD1 3.37Å; L13-L161 HydrophobicContact CD2-CG 4.26Å; L13-L161 HydrophobicContact CG-CB 3.99Å; L13-L161 HydrophobicContact CG-CD1 4.2Å; Y17-L161 HydrophobicContact CD1-CD2 4.13Å; Y17-L161 HydrophobicContact CD2-CD2 3.82Å; Y17-L161 HydrophobicContact CG-CD2 3.54Å; S159-L161 VanDerWaalsContact C-N 3.34Å; S159-L161 PolarHBondContact O-N 2.96Å; L161-A163 VanDerWaalsContact C-N 3.33Å; L161-A163 PolarHBondContact O-N 2.86Å; L161-L164 PolarHBondContact O-N 2.93Å; L161-L165 HydrophobicContact CD1-CD1 3.86Å; L161-L165 HydrophobicContact CD1-CG 4.07Å; L161-L165 HydrophobicContact CD2-CD1 4.38Å; L161-L165 HydrophobicContact CG-CD1 3.74Å; L161-L165 HydrophobicContact CG-CG 4.35Å; L161-L165 WeakPolarHBondContact O-CB 3.23Å; L161-L165 VanDerWaalsContact O-CG 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.35Å; L161-L165 PolarHBondContact O-N 3.29Å
162L78.1Confident76.5Confident81 Ų8172.2 Ų72.242%0.42439%0.391SS..Hα-helixtrans-65.1-39.2-179.8-67.4175.4000111.6Y17 S159 L165 S166 F187Y17-L162 HydrophobicContact CE2-CD2 4.21Å; Y17-L162 HydrophobicContact CE2-CG 4.35Å; S159-L162 PolarHBondContact O-N 3.39Å; S159-L162 VanDerWaalsContact O-N 3.15Å; L162-L165 PolarHBondContact O-N 2.87Å; L162-S166 VanDerWaalsContact O-CB 3.32Å; L162-S166 WeakPolarHBondContact O-CB 3.48Å; L162-S166 PolarHBondContact O-N 3.22Å; L162-S166 PolarHBondContact O-OG 3.25Å; L162-F187 HydrophobicContact CD2-CZ 4.34Å
163A80.6Confident76.1Confident39 Ų3972.6 Ų72.632%0.32239%0.393SS..Hα-helixtrans-61.3-48.8174.700000111.2S159 R160 L161 S166 Q167S159-A163 WeakPolarHBondContact O-CB 3.34Å; S159-A163 PolarHBondContact O-N 2.88Å; R160-A163 PolarHBondContact O-N 3.42Å; L161-A163 VanDerWaalsContact C-N 3.33Å; L161-A163 PolarHBondContact O-N 2.86Å; A163-S166 PolarHBondContact O-N 3.12Å; A163-S166 PolarHBondContact O-OG 3.47Å; A163-Q167 WeakPolarHBondContact O-CG 3.35Å; A163-Q167 PolarHBondContact O-N 3.32Å
164L80.9Confident76Confident77 Ų7780 Ų8040%0.40343%0.427SS..Hα-helixtrans-62.3-43.8177.3-72.8172.3000111.9L13 R160 L161 S166 Q167 A168L13-L164 HydrophobicContact CD1-CD1 3.89Å; L13-L164 HydrophobicContact CD2-CD1 3.98Å; R160-L164 HydrophobicContact CG-CD1 4.14Å; R160-L164 HydrophobicContact CG-CG 4.46Å; R160-L164 WeakPolarHBondContact O-CB 3.35Å; R160-L164 VanDerWaalsContact O-CG 3.3Å; R160-L164 WeakPolarHBondContact O-CG 3.41Å; R160-L164 PolarHBondContact O-N 3.49Å; L161-L164 PolarHBondContact O-N 2.93Å; L164-S166 VanDerWaalsContact C-N 3.34Å; L164-S166 PolarHBondContact O-N 2.92Å; L164-Q167 PolarHBondContact O-N 2.95Å; L164-A168 WeakPolarHBondContact O-CB 3.43Å; L164-A168 PolarHBondContact O-N 3.1Å
165L78.4Confident75.9Confident51 Ų5182.5 Ų82.527%0.26743%0.432SS..Hα-helixtrans-62.3-40.5175.7-73.8170.6000111.9L161 L162 A168 L169 V186L161-L165 HydrophobicContact CD1-CD1 3.86Å; L161-L165 HydrophobicContact CD1-CG 4.07Å; L161-L165 HydrophobicContact CD2-CD1 4.38Å; L161-L165 HydrophobicContact CG-CD1 3.74Å; L161-L165 HydrophobicContact CG-CG 4.35Å; L161-L165 WeakPolarHBondContact O-CB 3.23Å; L161-L165 VanDerWaalsContact O-CG 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.35Å; L161-L165 PolarHBondContact O-N 3.29Å; L162-L165 PolarHBondContact O-N 2.87Å; L165-A168 PolarHBondContact O-N 3.46Å; L165-L169 WeakPolarHBondContact O-CB 3.48Å; L165-L169 PolarHBondContact O-N 3.33Å; L165-V186 HydrophobicContact CB-CG1 3.96Å; L165-V186 HydrophobicContact CD1-CG1 3.68Å; L165-V186 HydrophobicContact CD2-CG1 3.67Å; L165-V186 HydrophobicContact CG-CG1 3.96Å
166S76.3Confident75.7Confident56 Ų5682 Ų8239%0.39244%0.441SS..Hα-helixtrans-66.3-38.1176.779.20000112.3L162 A163 L164 L169 K170L162-S166 VanDerWaalsContact O-CB 3.32Å; L162-S166 WeakPolarHBondContact O-CB 3.48Å; L162-S166 PolarHBondContact O-N 3.22Å; L162-S166 PolarHBondContact O-OG 3.25Å; A163-S166 PolarHBondContact O-N 3.12Å; A163-S166 PolarHBondContact O-OG 3.47Å; L164-S166 VanDerWaalsContact C-N 3.34Å; L164-S166 PolarHBondContact O-N 2.92Å; S166-L169 PolarHBondContact O-N 3.12Å; S166-K170 WeakPolarHBondContact O-CG 3.38Å; S166-K170 PolarHBondContact O-N 3.38Å
167Q81.2Confident75.7Confident122 Ų12285.9 Ų85.957%0.5746%0.46SS*.Hα-helixtrans-68.6-41.4175.5-72.5176.53.600110.9A163 L164 K170 W171A163-Q167 WeakPolarHBondContact O-CG 3.35Å; A163-Q167 PolarHBondContact O-N 3.32Å; L164-Q167 PolarHBondContact O-N 2.95Å; Q167-K170 PolarHBondContact O-N 3.48Å; Q167-W171 WeakPolarHBondContact O-CB 3.12Å; Q167-W171 PolarHBondContact O-N 3.37Å
168A77.9Confident75.3Confident46 Ų4684.3 Ų84.338%0.3844%0.443SS..Hα-helixtrans-62.2-42.3174.500000111.7L164 L165 W171 Q172L164-A168 WeakPolarHBondContact O-CB 3.43Å; L164-A168 PolarHBondContact O-N 3.1Å; L165-A168 PolarHBondContact O-N 3.46Å; A168-W171 PolarHBondContact O-N 2.84Å; A168-Q172 WeakPolarHBondContact O-CG 3.26Å; A168-Q172 PolarHBondContact O-N 3.33Å
169L74.4Confident74.9Confident39 Ų3983.6 Ų83.620%0.20444%0.438CS..Hα-helixtrans-65.4-41.4177.7-165.4148.6000111.5L165 S166 W171 Q172 Q173 I184 V186L165-L169 WeakPolarHBondContact O-CB 3.48Å; L165-L169 PolarHBondContact O-N 3.33Å; S166-L169 PolarHBondContact O-N 3.12Å; L169-W171 VanDerWaalsContact C-N 3.35Å; L169-Q172 PolarHBondContact O-N 3.37Å; L169-Q173 HydrophobicContact CD2-CG 4.31Å; L169-Q173 WeakPolarHBondContact O-CG 3.34Å; L169-Q173 PolarHBondContact O-N 3.44Å; L169-I184 HydrophobicContact CD1-CB 4.15Å; L169-I184 HydrophobicContact CD1-CD1 4.06Å; L169-I184 HydrophobicContact CG-CD1 4.3Å; L169-V186 HydrophobicContact CD1-CG2 4.22Å
170K75.9Confident74.2Confident143 Ų14387 Ų8762%0.62246%0.459SS*.Hα-helixtrans-61.9-40.9171.7-75.5178-178.21790112.2S166 Q167 Q173 H174S166-K170 WeakPolarHBondContact O-CG 3.38Å; S166-K170 PolarHBondContact O-N 3.38Å; Q167-K170 PolarHBondContact O-N 3.48Å; K170-Q173 PolarHBondContact O-N 2.91Å; K170-H174 PolarHBondContact O-N 2.82Å
171W79.6Confident73.3Confident153 Ų15384.4 Ų84.458%0.5847%0.474SS*.Hα-helixtrans-64.8-43.3176.9-176.988.6000111.7Q167 A168 L169 Q173 H174 Q175Q167-W171 WeakPolarHBondContact O-CB 3.12Å; Q167-W171 PolarHBondContact O-N 3.37Å; A168-W171 PolarHBondContact O-N 2.84Å; L169-W171 VanDerWaalsContact C-N 3.35Å; W171-Q173 PolarHBondContact O-N 3.4Å; W171-H174 PolarHBondContact O-N 3.15Å; W171-Q175 HydrophobicContact CD2-CG 3.98Å; W171-Q175 HydrophobicContact CE3-CG 4.11Å; W171-Q175 HydrophobicContact CH2-CG 3.9Å; W171-Q175 HydrophobicContact CZ2-CG 3.76Å; W171-Q175 HydrophobicContact CZ3-CG 4.07Å; W171-Q175 WeakPolarHBondContact O-CG 3.46Å; W171-Q175 PolarHBondContact O-N 3.24Å
172Q76.4Confident72.3Confident81 Ų8185.5 Ų85.538%0.37948%0.482SS..Hα-helixtrans-65.6-36.4176.1-73-179.6-17.500112.8A168 L169 Q175 G176 L177 L178A168-Q172 WeakPolarHBondContact O-CG 3.26Å; A168-Q172 PolarHBondContact O-N 3.33Å; L169-Q172 PolarHBondContact O-N 3.37Å; Q172-Q175 PolarHBondContact O-N 3.08Å; Q172-G176 PolarHBondContact O-N 3.3Å; Q172-L177 PolarHBondContact O-N 2.94Å; Q172-L177 VanDerWaalsContact O-N 3.12Å; Q172-L178 HydrophobicContact CB-CD1 3.66Å; Q172-L178 HydrophobicContact CB-CG 4.43Å
173Q72Confident71.2Confident75 Ų7585.7 Ų85.735%0.3550%0.495SS..Hα-helixtrans-62.6-42.1171.1-76.1177.5-12.900111.5L169 K170 W171 Q175 G176 L178L169-Q173 HydrophobicContact CD2-CG 4.31Å; L169-Q173 WeakPolarHBondContact O-CG 3.34Å; L169-Q173 PolarHBondContact O-N 3.44Å; K170-Q173 PolarHBondContact O-N 2.91Å; W171-Q173 PolarHBondContact O-N 3.4Å; Q173-Q175 VanDerWaalsContact C-N 3.32Å; Q173-Q175 PolarHBondContact O-N 3.11Å; Q173-G176 PolarHBondContact O-N 3.44Å; Q173-G176 VanDerWaalsContact O-N 3.13Å; Q173-L178 HydrophobicContact CG-CB 4.15Å
174H77.5Confident70Confident167 Ų16785.6 Ų85.677%0.77349%0.489SS*.Hα-helixtrans-68.7-30.2177.8-164.3-68.5000112.9K170 W171 G176K170-H174 PolarHBondContact O-N 2.82Å; W171-H174 PolarHBondContact O-N 3.15Å; H174-G176 PolarHBondContact O-N 2.91Å
175Q77.5Confident68.9Low110 Ų11085 Ų8551%0.51449%0.486SS..THydrogen-bonded Turntrans-79-2.7173.3-68.4-68.5-11.100113.2W171 Q172 Q173 L177W171-Q175 HydrophobicContact CD2-CG 3.98Å; W171-Q175 HydrophobicContact CE3-CG 4.11Å; W171-Q175 HydrophobicContact CH2-CG 3.9Å; W171-Q175 HydrophobicContact CZ2-CG 3.76Å; W171-Q175 HydrophobicContact CZ3-CG 4.07Å; W171-Q175 WeakPolarHBondContact O-CG 3.46Å; W171-Q175 PolarHBondContact O-N 3.24Å; Q172-Q175 PolarHBondContact O-N 3.08Å; Q173-Q175 VanDerWaalsContact C-N 3.32Å; Q173-Q175 PolarHBondContact O-N 3.11Å; Q175-L177 VanDerWaalsContact C-N 3.25Å; Q175-L177 HydrophobicContact CB-CD1 4.21Å; Q175-L177 HydrophobicContact CB-CG 4.47Å; Q175-L177 PolarHBondContact O-N 3.22Å
176G67.6Low68.1Low62 Ų6285.4 Ų85.464%0.63949%0.49SS*.THydrogen-bonded Turntrans74.310.1178.400000114.9Q172 Q173 H174 L178Q172-G176 PolarHBondContact O-N 3.3Å; Q173-G176 PolarHBondContact O-N 3.44Å; Q173-G176 VanDerWaalsContact O-N 3.13Å; H174-G176 PolarHBondContact O-N 2.91Å; G176-L178 PolarHBondContact O-N 2.99Å
177L66.9Low67.2Low122 Ų12288.4 Ų88.464%0.63950%0.496SS*.SBendtrans-72.8-15.8176.9-72.3161.3000112.4Q172 Q175Q172-L177 PolarHBondContact O-N 2.94Å; Q172-L177 VanDerWaalsContact O-N 3.12Å; Q175-L177 VanDerWaalsContact C-N 3.25Å; Q175-L177 HydrophobicContact CB-CD1 4.21Å; Q175-L177 HydrophobicContact CB-CG 4.47Å; Q175-L177 PolarHBondContact O-N 3.22Å
178L60.6Low66Low28 Ų2892 Ų9215%0.14751%0.505CS..SBendtrans-132.6125.1-178.4-70.7163.8000110.7Q172 Q173 G176 I184Q172-L178 HydrophobicContact CB-CD1 3.66Å; Q172-L178 HydrophobicContact CB-CG 4.43Å; Q173-L178 HydrophobicContact CG-CB 4.15Å; G176-L178 PolarHBondContact O-N 2.99Å; L178-I184 HydrophobicContact CD1-CD1 3.16Å; L178-I184 HydrophobicContact CD2-CD1 3.27Å; L178-I184 HydrophobicContact CD2-CG1 4.16Å; L178-I184 HydrophobicContact CG-CD1 3.74Å
179P61.4Low64.9Low84 Ų8493.2 Ų93.255%0.54552%0.522SS..  trans-60.2136.5173.2-19.830.1000110.9G181 T182P179-G181 PolarHBondContact O-N 3.4Å; P179-G181 VanDerWaalsContact O-N 3.17Å; P179-T182 PolarHBondContact O-N 3.04Å; P179-T182 PolarHBondContact O-OG1 3.05Å
180P58.4Low63.9Low129 Ų12999 Ų9984%0.83855%0.546SS*.THydrogen-bonded Turntrans-58.3122.7175.723.9-31.8000109.6
181G59.2Low62.5Low79 Ų7994.5 Ų94.581%0.81454%0.535SS*.THydrogen-bonded Turntrans106.3-1.717700000116.4P179 A183P179-G181 PolarHBondContact O-N 3.4Å; P179-G181 VanDerWaalsContact O-N 3.17Å; G181-A183 PolarHBondContact O-N 2.94Å
182T57.7Low60.7Low52 Ų5290 Ų9032%0.31953%0.531SS..  trans-77.9116.2170.542.70000110.8P179 I184P179-T182 PolarHBondContact O-N 3.04Å; P179-T182 PolarHBondContact O-OG1 3.05Å; T182-I184 PolarHBondContact O-N 3.4Å
183A55.4Low59Low84 Ų8492.1 Ų92.169%0.69455%0.549SS*.  trans-73.1107.316800000108.2G181G181-A183 PolarHBondContact O-N 2.94Å
184I55.6Low57.9Low37 Ų3796.8 Ų96.819%0.1956%0.563CS.*EExtended strand (participates in β ladder)trans-90.8123.1176.2-59.7161.7000106.7L169 L178 T182 V186L169-I184 HydrophobicContact CD1-CB 4.15Å; L169-I184 HydrophobicContact CD1-CD1 4.06Å; L169-I184 HydrophobicContact CG-CD1 4.3Å; L178-I184 HydrophobicContact CD1-CD1 3.16Å; L178-I184 HydrophobicContact CD2-CD1 3.27Å; L178-I184 HydrophobicContact CD2-CG1 4.16Å; L178-I184 HydrophobicContact CG-CD1 3.74Å; T182-I184 PolarHBondContact O-N 3.4Å; I184-V186 VanDerWaalsContact C-N 3.34Å; I184-V186 PolarHBondContact O-N 3.41Å
185D57Low56.3Low64 Ų6497.3 Ų97.334%0.34257%0.566SS.*EExtended strand (participates in β ladder)trans-72.699.2165.1-173.3-11.4000106.9F187 R188 G189D185-F187 PolarHBondContact O-N 3.24Å; D185-F187 PolarHBondContact OD1-N 3.34Å; D185-R188 HydrophobicContact CB-CB 4.08Å; D185-R188 HydrophobicContact CB-CG 4.33Å; D185-R188 PolarHBondContact O-N 3.36Å; D185-R188 WeakPolarHBondContact OD2-CD 3.34Å; D185-R188 VanDerWaalsContact OD2-CG 3.31Å; D185-R188 WeakPolarHBondContact OD2-CG 3.26Å; D185-R188 IonicContact OD2-NE 3.02Å; D185-R188 PolarHBondContact OD2-NE 3.17Å; D185-G189 PolarHBondContact O-N 2.96Å
186V61.7Low55Low61 Ų6199.3 Ų99.337%0.3758%0.575SS.*THydrogen-bonded Turntrans-57.2-25.5-171.6-169.30000111.7L165 L169 I184L165-V186 HydrophobicContact CB-CG1 3.96Å; L165-V186 HydrophobicContact CD1-CG1 3.68Å; L165-V186 HydrophobicContact CD2-CG1 3.67Å; L165-V186 HydrophobicContact CG-CG1 3.96Å; L169-V186 HydrophobicContact CD1-CG2 4.22Å; I184-V186 VanDerWaalsContact C-N 3.34Å; I184-V186 PolarHBondContact O-N 3.41Å
187F57Low54.6Low118 Ų118102.8 Ų102.852%0.51858%0.575SS.*THydrogen-bonded Turntrans-89.5-16.4178.8-64.5-75.4000114.1Y17 L162 D185Y17-F187 AromaticContact CE1-CE1 3.93Å; Y17-F187 HydrophobicContact CE1-CE1 3.93Å; Y17-F187 AromaticContact CE1-CZ 3.93Å; Y17-F187 HydrophobicContact CE1-CZ 3.93Å; Y17-F187 HydrophobicContact CE2-CE1 4.49Å; Y17-F187 AromaticContact CE2-CZ 3.78Å; Y17-F187 HydrophobicContact CE2-CZ 3.78Å; Y17-F187 AromaticContact CZ-CE1 3.85Å; Y17-F187 AromaticContact CZ-CZ 3.35Å; Y17-F187 WeakPolarHBondContact OH-CE2 3.15Å; Y17-F187 WeakPolarHBondContact OH-CZ 3.31Å; L162-F187 HydrophobicContact CD2-CZ 4.34Å; D185-F187 PolarHBondContact O-N 3.24Å; D185-F187 PolarHBondContact OD1-N 3.34Å
188R56Low54.4Low197 Ų197103.8 Ų103.874%0.74358%0.577SS**THydrogen-bonded Turntrans-94.9-11.3179.1-72.5-173.2-179-150.4-5.3114.2D185 K190D185-R188 HydrophobicContact CB-CB 4.08Å; D185-R188 HydrophobicContact CB-CG 4.33Å; D185-R188 PolarHBondContact O-N 3.36Å; D185-R188 WeakPolarHBondContact OD2-CD 3.34Å; D185-R188 VanDerWaalsContact OD2-CG 3.31Å; D185-R188 WeakPolarHBondContact OD2-CG 3.26Å; D185-R188 IonicContact OD2-NE 3.02Å; D185-R188 PolarHBondContact OD2-NE 3.17Å; R188-K190 PolarHBondContact O-N 3.35Å
189G54.3Low54.9Low72 Ų72103.3 Ų103.374%0.74257%0.573SS**THydrogen-bonded Turntrans60.113178.900000114.4D185D185-G189 PolarHBondContact O-N 2.96Å
190K53.1Low55.6Low161 Ų161104.8 Ų104.870%0.757%0.571SS**EExtended strand (participates in β ladder)trans-124.4134.7176.4-68.9-177.2178.2-178.10106.9R188 A192R188-K190 PolarHBondContact O-N 3.35Å; K190-A192 PolarHBondContact O-N 2.65Å
191A47.6Very low56.5Low49 Ų4999.1 Ų99.141%0.40554%0.535SS..EExtended strand (participates in β ladder)trans-48.1129.2158.200000106.2V193A191-V193 PolarHBondContact O-N 3.18Å
192A42.6Very low57.4Low59 Ų5995.6 Ų95.649%0.48850%0.497SS..  trans-69.370.4-179.600000109.3K190 R194K190-A192 PolarHBondContact O-N 2.65Å; A192-R194 PolarHBondContact O-N 2.64Å
193V40.7Very low58.4Low125 Ų12595.3 Ų95.376%0.75850%0.496SS*.  trans-70.575152.4-171.70000104.2A191 E195A191-V193 PolarHBondContact O-N 3.18Å; V193-E195 PolarHBondContact O-N 3.41Å; V193-E195 VanDerWaalsContact O-N 3.12Å
194R48.5Very low59.7Low172 Ų17298.2 Ų98.265%0.64949%0.492SS*.  trans-55.1116.7155.3-89.8-179.2168.4167-2.2103.8A192 Q196A192-R194 PolarHBondContact O-N 2.64Å; R194-Q196 PolarHBondContact O-N 3.13Å
195E43.4Very low61Low178 Ų178100.5 Ų100.583%0.83251%0.505SS*.  trans-42.6113.9171.6-72.4-179.2165.100107V193 E197V193-E195 PolarHBondContact O-N 3.41Å; V193-E195 VanDerWaalsContact O-N 3.12Å; E195-E197 PolarHBondContact O-N 3.02Å
196Q50.7Low62.1Low152 Ų15299.6 Ų99.671%0.7150%0.504SS*.  trans-70.486.8-174.7-87.7-175.26.500107R194 E198R194-Q196 PolarHBondContact O-N 3.13Å; Q196-E198 PolarHBondContact O-N 3.21Å
197E59Low63.1Low135 Ų13598.1 Ų98.163%0.63149%0.494SS*.PPolyproline II helixtrans-51.8128.4171-75.6-171164.800108.4E195 R453E195-E197 PolarHBondContact O-N 3.02Å; E197-R453 PolarHBondContact O-NH2 3.43Å; E197-R453 VanDerWaalsContact O-NH2 3.15Å
198E63.4Low64.5Low144 Ų14495 Ų9567%0.67349%0.485SS*.PPolyproline II helixtrans-62.3136.4173.7-70.8-177.4156.800109.4Q196 K200 N498Q196-E198 PolarHBondContact O-N 3.21Å; E198-K200 PolarHBondContact O-N 2.9Å; E198-N498 PolarHBondContact O-ND2 3.06Å
199E70.5Confident66Low17 Ų1785.6 Ų85.68%0.07945%0.45CS..PPolyproline II helixtrans-67.8116.3178.8-62.9-168.7157.800110.1S451 R453 E455 W456E199-S451 WeakPolarHBondContact OE2-CB 3.36Å; E199-S451 PolarHBondContact OE2-OG 3.29Å; E199-S451 VanDerWaalsContact OE2-OG 3.1Å; E199-R453 WeakPolarHBondContact OE1-CB 3.32Å; E199-R453 VanDerWaalsContact OE1-CG 3.22Å; E199-R453 WeakPolarHBondContact OE1-CG 3.48Å; E199-R453 PolarHBondContact OE1-N 2.86Å; E199-E455 WeakPolarHBondContact OE2-CB 3.45Å; E199-W456 PolarHBondContact O-NE1 3.34Å
200K76.7Confident67.3Low115 Ų11590.8 Ų90.850%0.545%0.447SS..  trans-115.9148.2178.3-72.7176.7-175.9174.20110.1E198 P514E198-K200 PolarHBondContact O-N 2.9Å; K200-P514 HydrophobicContact CB-CB 3.54Å; K200-P514 HydrophobicContact CB-CG 4.34Å
201P75.9Confident68.4Low11 Ų1183.7 Ų83.77%0.07142%0.417CS..  trans-66.3146.8176.729.3-32.9000109.6W456 C468 R479 P514P201-W456 HydrophobicContact CB-CE3 4.44Å; P201-W456 HydrophobicContact CB-CH2 3.8Å; P201-W456 HydrophobicContact CB-CZ2 4.42Å; P201-W456 HydrophobicContact CB-CZ3 3.85Å; P201-W456 HydrophobicContact CG-CH2 3.72Å; P201-W456 HydrophobicContact CG-CZ2 4.24Å; P201-W456 HydrophobicContact CG-CZ3 4.26Å; P201-C468 HydrophobicContact CB-CB 4.37Å; P201-R479 HydrophobicContact CB-CB 4.49Å; P201-P514 WeakPolarHBondContact O-CA 3.16Å
202P78.6Confident69.5Low4 Ų486 Ų863%0.02643%0.426CS..  trans-58.6142.917626.2-34.4000110.4Y458 L466 I500 W512P202-Y458 HydrophobicContact CG-CE1 4.32Å; P202-L466 HydrophobicContact CG-CD2 3.72Å; P202-I500 HydrophobicContact CB-CG2 4Å; P202-I500 HydrophobicContact CG-CG2 4Å; P202-W512 HydrophobicContact CB-CB 3.74Å
203T79.6Confident70.1Confident47 Ų4792 Ų9229%0.28844%0.444SS..  trans-135.4-30.7175.776.30000113.5M481 K513 P514T203-M481 WeakPolarHBondContact O-CE 3.46Å; T203-K513 PolarHBondContact N-O 2.85Å; T203-P514 WeakPolarHBondContact CB-OXT 3.48Å; T203-P514 VanDerWaalsContact CG2-OXT 3.22Å; T203-P514 WeakPolarHBondContact CG2-OXT 3.47Å; T203-P514 VanDerWaalsContact OG1-C 3.28Å; T203-P514 PolarHBondContact OG1-OXT 3.23Å
204K82.2Confident71.3Confident144 Ų14496.3 Ų96.363%0.62645%0.452SS*.EExtended strand (participates in β ladder)trans-118.9135.3-173.4-70.5170.2-171.6176.50110.8S206 W512 K513K204-S206 PolarHBondContact O-N 3.15Å; K204-W512 WeakPolarHBondContact O-CA 3.26Å; K204-K513 PolarHBondContact N-O 3.1Å; K204-K513 PolarHBondContact O-N 2.74Å
205L82.4Confident72.7Confident86 Ų8689.7 Ų89.745%0.4543%0.432SS..EExtended strand (participates in β ladder)trans-68.9121.5166.1-176.667.8000108.4V208 K510 W512L205-V208 HydrophobicContact CD1-CG2 4.12Å; L205-V208 HydrophobicContact CD2-CG2 3.73Å; L205-V208 HydrophobicContact CG-CG2 4.16Å; L205-K510 HydrophobicContact CD1-CB 3.78Å; L205-K510 HydrophobicContact CD1-CD 4.22Å; L205-K510 HydrophobicContact CD1-CG 4.12Å; L205-W512 HydrophobicContact CB-CE3 4.04Å; L205-W512 HydrophobicContact CB-CH2 4.39Å; L205-W512 HydrophobicContact CB-CZ3 3.85Å; L205-W512 HydrophobicContact CD1-CD2 4.09Å; L205-W512 HydrophobicContact CD1-CE3 4.17Å; L205-W512 HydrophobicContact CD1-CH2 4.05Å; L205-W512 HydrophobicContact CD1-CZ2 3.93Å; L205-W512 HydrophobicContact CD1-CZ3 4.16Å
206S80.7Confident74.6Confident45 Ų4583.4 Ų83.432%0.31540%0.403SS..EExtended strand (participates in β ladder)trans-96.5-50.7-177.6670000112.4K204 L511K204-S206 PolarHBondContact O-N 3.15Å; S206-L511 PolarHBondContact N-O 3.17Å; S206-L511 PolarHBondContact OG-O 3.33Å
207T82.8Confident76.4Confident29 Ų2976.2 Ų76.218%0.17837%0.369CS..EExtended strand (participates in β ladder)trans-145.1152.2-17949.30000110.2F243 T244 L511T207-F243 PolarHBondContact OG1-O 3.38Å; T207-T244 WeakPolarHBondContact CG2-O 3.49Å; T207-L511 PolarHBondContact N-O 2.63Å; T207-L511 PolarHBondContact O-N 3.47Å; T207-L511 VanDerWaalsContact OG1-CB 3.32Å; T207-L511 WeakPolarHBondContact OG1-CB 3.41Å; T207-L511 WeakPolarHBondContact OG1-CD1 3.32Å
208V86.7Confident77.9Confident53 Ų5372.3 Ų72.332%0.32135%0.351SS..EExtended strand (participates in β ladder)trans-124119.8173.6-176.80000107.3L205 R210 L508 K510L205-V208 HydrophobicContact CD1-CG2 4.12Å; L205-V208 HydrophobicContact CD2-CG2 3.73Å; L205-V208 HydrophobicContact CG-CG2 4.16Å; V208-R210 HydrophobicContact CG1-CG 4.48Å; V208-L508 HydrophobicContact CG1-CB 4.44Å; V208-L508 HydrophobicContact CG1-CD2 4.31Å; V208-K510 HydrophobicContact CG1-CG 4.34Å; V208-K510 HydrophobicContact CG2-CG 4.31Å
209I86.3Confident79.2Confident0 Ų066 Ų660%032%0.322CS..EExtended strand (participates in β ladder)trans-94.8126.5172.3-62.4167.8000106.7L229 W241 V509 L511I209-L229 HydrophobicContact CD1-CD2 3.69Å; I209-W241 HydrophobicContact CD1-CB 4.03Å; I209-W241 HydrophobicContact CD1-CD2 4.4Å; I209-W241 HydrophobicContact CD1-CG 4.15Å; I209-W241 HydrophobicContact CG2-CD2 3.59Å; I209-W241 HydrophobicContact CG2-CE3 3.5Å; I209-W241 VanDerWaalsContact CG2-CE3 3.5Å; I209-W241 HydrophobicContact CG2-CG 4.33Å; I209-W241 HydrophobicContact CG2-CH2 3.7Å; I209-W241 HydrophobicContact CG2-CZ2 3.75Å; I209-W241 HydrophobicContact CG2-CZ3 3.57Å; I209-V509 HydrophobicContact CB-CB 4.12Å; I209-V509 PolarHBondContact N-O 2.8Å; I209-V509 PolarHBondContact O-N 3.5Å; I209-L511 HydrophobicContact CD1-CD1 3.93Å
210R82.2Confident80.2Confident181 Ų18165.5 Ų65.568%0.68332%0.321SS*.EExtended strand (participates in β ladder)trans-103.8113.2175.3-61.6-172.7-178.4-90.21.7107.8V208 L508V208-R210 HydrophobicContact CG1-CG 4.48Å; R210-L508 HydrophobicContact CB-CD2 4.36Å; R210-L508 HydrophobicContact CG-CD2 3.74Å
211V76.7Confident81Confident12 Ų1264.6 Ų64.67%0.07332%0.315CS..PPolyproline II helixtrans-77154.4169.6-177.80000108.1Q213 V217 W241 G507 V509V211-Q213 PolarHBondContact O-N 3.02Å; V211-V217 HydrophobicContact CB-CG2 4.11Å; V211-V217 HydrophobicContact CG1-CG2 4.3Å; V211-V217 HydrophobicContact CG2-CG2 3.44Å; V211-V217 VanDerWaalsContact CG2-CG2 3.44Å; V211-W241 HydrophobicContact CG2-CZ2 4.07Å; V211-G507 PolarHBondContact N-O 3.4Å; V211-G507 VanDerWaalsContact N-O 3.11Å; V211-V509 HydrophobicContact CG2-CG2 4.45Å
212V69.8Low81.8Confident97 Ų9764.5 Ų64.559%0.58831%0.313SS*.PPolyproline II helixtrans-47.2138.7-171.8-179.50000112K214 C215V212-K214 PolarHBondContact O-N 2.93Å; V212-K214 VanDerWaalsContact O-N 3.15Å; V212-C215 PolarHBondContact O-N 3.23Å; V212-C215 VanDerWaalsContact O-N 3.16Å
213Q54.7Low82.4Confident185 Ų18564.3 Ų64.386%0.86431%0.312SS*.THydrogen-bonded Turntrans-58.8118.6-175.5-68.5179.4-10.100110.9V211V211-Q213 PolarHBondContact O-N 3.02Å
214K67Low82.7Confident216 Ų21664.2 Ų64.294%0.93931%0.312SS*.THydrogen-bonded Turntrans104.7-8.3-179.3-63179.8179.7-179.10116.6V212V212-K214 PolarHBondContact O-N 2.93Å; V212-K214 VanDerWaalsContact O-N 3.15Å
215C78.2Confident82.8Confident33 Ų3359.8 Ų59.822%0.22330%0.295CS..  trans-106.8146.4175.3-59.70000110.5V212 D235V212-C215 PolarHBondContact O-N 3.23Å; V212-C215 VanDerWaalsContact O-N 3.16Å; C215-D235 PolarHBondContact SG-OD2 3.09Å
216H82.5Confident82.8Confident46 Ų4656.1 Ų56.121%0.21328%0.278CS..  trans-114.1161.2168.867-98.1000111.3E218 S233 V234 I489H216-E218 IonicContact CD2-OE1 3.81Å; H216-E218 PolarHBondContact CD2-OE1 3.15Å; H216-E218 IonicContact CE1-OE1 3.32Å; H216-E218 IonicContact NE2-OE1 2.83Å; H216-E218 PolarHBondContact NE2-OE1 3.18Å; H216-S233 WeakPolarHBondContact O-CA 3.36Å; H216-V234 WeakPolarHBondContact CD2-CG2 3.48Å; H216-V234 VanDerWaalsContact CE1-CG2 3.4Å; H216-V234 WeakPolarHBondContact CE1-CG2 3.44Å; H216-V234 WeakPolarHBondContact NE2-CG2 3.47Å; H216-V234 WeakPolarHBondContact O-CG2 3.5Å; H216-V234 PolarHBondContact O-N 2.92Å; H216-V234 VanDerWaalsContact O-N 3.17Å; H216-I489 VanDerWaalsContact CD2-CD1 3.5Å; H216-I489 WeakPolarHBondContact CD2-CD1 3.5Å
217V89Confident83Confident1 Ų158.6 Ų58.61%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-96.4121.9-176.5177.80000108.3V211 C219 T231 I489 Y503 V509V211-V217 HydrophobicContact CB-CG2 4.11Å; V211-V217 HydrophobicContact CG1-CG2 4.3Å; V211-V217 HydrophobicContact CG2-CG2 3.44Å; V211-V217 VanDerWaalsContact CG2-CG2 3.44Å; V217-C219 WeakPolarHBondContact CG1-O 3.2Å; V217-T231 HydrophobicContact CG1-CG2 4.15Å; V217-I489 WeakPolarHBondContact O-CD1 3.44Å; V217-Y503 HydrophobicContact CG1-CD2 4.2Å; V217-Y503 HydrophobicContact CG1-CG 4.29Å; V217-Y503 WeakPolarHBondContact O-CD2 3.27Å; V217-V509 HydrophobicContact CB-CG2 4.36Å; V217-V509 HydrophobicContact CG1-CG2 4.46Å; V217-V509 HydrophobicContact CG2-CG2 3.89Å
218E89.5Confident83.1Confident53 Ų5358.5 Ų58.525%0.24828%0.282CS..EExtended strand (participates in β ladder)trans-86-31178.4-73.9-70.916100111.7H216 G232 V234 V267 I489 Y503H216-E218 IonicContact CD2-OE1 3.81Å; H216-E218 PolarHBondContact CD2-OE1 3.15Å; H216-E218 IonicContact CE1-OE1 3.32Å; H216-E218 IonicContact NE2-OE1 2.83Å; H216-E218 PolarHBondContact NE2-OE1 3.18Å; E218-G232 PolarHBondContact N-O 2.76Å; E218-V234 HydrophobicContact CG-CG2 3.57Å; E218-V234 WeakPolarHBondContact OE1-CG2 3.41Å; E218-V267 VanDerWaalsContact CB-O 3.29Å; E218-V267 WeakPolarHBondContact CB-O 3.21Å; E218-I489 WeakPolarHBondContact O-CG2 3.23Å; E218-Y503 WeakPolarHBondContact O-CE2 3.25Å
219C90.9Very high83.3Confident10 Ų1056 Ų567%0.06827%0.267CS..EExtended strand (participates in β ladder)trans-148.2147.5178.160.10000112.2V217 T231 G232 V267 L270V217-C219 WeakPolarHBondContact CG1-O 3.2Å; C219-T231 CarbonylContact O-C 3.58Å; C219-T231 WeakPolarHBondContact O-CA 3.23Å; C219-G232 PolarHBondContact N-O 2.97Å; C219-G232 PolarHBondContact O-N 3.21Å; C219-V267 PolarHBondContact SG-O 2.86Å; C219-V267 VanDerWaalsContact SG-O 3.33Å; C219-L270 VanDerWaalsContact SG-CG 3.58Å
220A92.6Very high83.6Confident8 Ų856 Ų567%0.06627%0.267CS..EExtended strand (participates in β ladder)trans-137.5141.4172.800000110.5L229 V230 T231 A492 Y503A220-L229 HydrophobicContact CB-CD1 4.37Å; A220-V230 CarbonylContact C-O 3.52Å; A220-V230 VanDerWaalsContact CA-O 3.32Å; A220-V230 WeakPolarHBondContact CA-O 3.39Å; A220-T231 HydrophobicContact CB-CG2 4.03Å; A220-A492 WeakPolarHBondContact O-CB 3.45Å; A220-Y503 HydrophobicContact CB-CD1 3.48Å; A220-Y503 VanDerWaalsContact CB-CD1 3.48Å; A220-Y503 HydrophobicContact CB-CE1 3.62Å; A220-Y503 HydrophobicContact CB-CG 4.19Å
221R93.5Very high84.1Confident95 Ų9547.3 Ų47.336%0.35823%0.234SC..EExtended strand (participates in β ladder)trans-145.7140.7179.2-157.9163.7-173.7152.56.9112.4V230 L270 T271 F272R221-V230 PolarHBondContact N-O 2.87Å; R221-V230 PolarHBondContact O-N 3.12Å; R221-L270 WeakPolarHBondContact CD-O 3.3Å; R221-L270 PolarHBondContact NH1-O 3.03Å; R221-T271 PolarHBondContact NH1-OG1 3.27Å; R221-F272 HydrophobicContact CB-CD2 4.34Å; R221-F272 HydrophobicContact CB-CE2 4.11Å; R221-F272 HydrophobicContact CG-CD2 4.17Å; R221-F272 HydrophobicContact CG-CE2 4.38Å; R221-F272 WeakPolarHBondContact O-CE2 3.45Å
222F91.8Very high84.9Confident10 Ų1046.8 Ų46.84%0.04423%0.231CC..EExtended strand (participates in β ladder)trans-83.4144.3170-70.9-78.5000110.8F228 L229 F243 F272 A492 H493 H494 L499 A501 L511F222-F228 WeakPolarHBondContact CA-O 3.28Å; F222-L229 HydrophobicContact CD1-CB 4.04Å; F222-L229 HydrophobicContact CD1-CD1 3.95Å; F222-L229 HydrophobicContact CD2-CD1 4.26Å; F222-L229 HydrophobicContact CE1-CB 3.93Å; F222-L229 HydrophobicContact CE1-CD1 3.85Å; F222-L229 HydrophobicContact CE1-CD2 4.31Å; F222-L229 HydrophobicContact CE1-CG 4.25Å; F222-L229 HydrophobicContact CE2-CD1 4.15Å; F222-L229 HydrophobicContact CG-CD1 4.18Å; F222-L229 HydrophobicContact CZ-CD1 3.96Å; F222-L229 HydrophobicContact CZ-CD2 4.43Å; F222-F243 HydrophobicContact CE1-CB 3.99Å; F222-F243 HydrophobicContact CE1-CG 4.2Å; F222-F272 WeakPolarHBondContact O-CD2 3.35Å; F222-A492 HydrophobicContact CD2-CB 4.07Å; F222-A492 HydrophobicContact CE2-CB 4.24Å; F222-A492 WeakPolarHBondContact CE2-O 2.89Å; F222-H493 WeakPolarHBondContact CD2-O 3.23Å; F222-H494 HydrophobicContact CD1-CB 4.45Å; F222-H494 AromaticContact CD1-CD2 3.58Å; F222-H494 HydrophobicContact CD2-CB 4.34Å; F222-H494 HydrophobicContact CE1-CB 4.43Å; F222-H494 AromaticContact CE1-CD2 3.8Å; F222-H494 HydrophobicContact CE2-CB 4.32Å; F222-H494 HydrophobicContact CG-CB 4.38Å; F222-H494 HydrophobicContact CZ-CB 4.35Å; F222-L499 HydrophobicContact CE1-CD2 4.09Å; F222-L499 HydrophobicContact CZ-CD2 3.95Å; F222-L499 HydrophobicContact CZ-CG 4.49Å; F222-A501 HydrophobicContact CE2-CB 3.64Å; F222-A501 HydrophobicContact CZ-CB 3.81Å; F222-L511 HydrophobicContact CE1-CD2 4.42Å; F222-L511 HydrophobicContact CZ-CD2 3.69Å
223S90.8Very high85.9Confident0 Ų042.2 Ų42.20%020%0.203CC..  trans-68.5145.9169.657.60000110.6D225 G226 Q227 F228 P495S223-D225 WeakPolarHBondContact CB-OD1 3.27Å; S223-D225 PolarHBondContact O-N 2.9Å; S223-D225 PolarHBondContact OG-OD1 3.33Å; S223-G226 WeakPolarHBondContact O-CA 3.46Å; S223-G226 PolarHBondContact O-N 3.37Å; S223-Q227 PolarHBondContact OG-N 3.41Å; S223-F228 PolarHBondContact N-O 2.97Å; S223-F228 PolarHBondContact OG-N 3.16Å; S223-F228 PolarHBondContact OG-O 2.81Å; S223-P495 WeakPolarHBondContact O-CG 3.38Å
224P86Confident87.6Confident45 Ų4535.9 Ų35.929%0.29218%0.177SC..THydrogen-bonded Turntrans-56.3-31178.4-30.436.1000114.8G226 F272 S276 H496P224-G226 PolarHBondContact O-N 3.27Å; P224-F272 VanDerWaalsContact CD-CB 3.43Å; P224-F272 HydrophobicContact CG-CB 4.03Å; P224-S276 VanDerWaalsContact CD-OG 3.32Å; P224-S276 WeakPolarHBondContact CD-OG 3.41Å; P224-H496 PolarHBondContact O-NE2 3.42Å; P224-H496 VanDerWaalsContact O-NE2 3.09Å
225D83.9Confident88.6Confident50 Ų5028.6 Ų28.627%0.26715%0.148SC..THydrogen-bonded Turntrans-74.5-9.6173.969-3.2000114S223 Q227 S276S223-D225 WeakPolarHBondContact CB-OD1 3.27Å; S223-D225 PolarHBondContact O-N 2.9Å; S223-D225 PolarHBondContact OG-OD1 3.33Å; D225-Q227 VanDerWaalsContact C-N 3.32Å; D225-Q227 HydrophobicContact CB-CG 4.32Å; D225-Q227 PolarHBondContact O-N 2.9Å; D225-Q227 WeakPolarHBondContact OD1-CB 3Å; D225-Q227 PolarHBondContact OD1-N 2.99Å; D225-Q227 WeakPolarHBondContact OD2-CG 3.41Å; D225-S276 PolarHBondContact N-OG 2.9Å; D225-S276 VanDerWaalsContact N-OG 3.14Å
226G82.9Confident89.1Confident9 Ų927 Ų279%0.09314%0.137CC..SBendtrans67.726.3-177.400000114.3S223 P224 F243 H494S223-G226 WeakPolarHBondContact O-CA 3.46Å; S223-G226 PolarHBondContact O-N 3.37Å; P224-G226 PolarHBondContact O-N 3.27Å; G226-F243 WeakPolarHBondContact O-CE1 3.46Å; G226-F243 WeakPolarHBondContact O-CZ 3.35Å; G226-H494 WeakPolarHBondContact CA-NE2 3.23Å; G226-H494 PolarHBondContact O-NE2 3.35Å
227Q84.1Confident89.5Confident98 Ų9827.6 Ų27.646%0.45814%0.14SC..SBendtrans-99-30179.1-64.3-170.72100113.8S223 D225 R249S223-Q227 PolarHBondContact OG-N 3.41Å; D225-Q227 VanDerWaalsContact C-N 3.32Å; D225-Q227 HydrophobicContact CB-CG 4.32Å; D225-Q227 PolarHBondContact O-N 2.9Å; D225-Q227 WeakPolarHBondContact OD1-CB 3Å; D225-Q227 PolarHBondContact OD1-N 2.99Å; D225-Q227 WeakPolarHBondContact OD2-CG 3.41Å; Q227-R249 PolarHBondContact O-NH1 3.01Å
228F86.3Confident89.7Confident26 Ų2627.6 Ų27.611%0.11414%0.139CC..  trans-121.7139.3-171.9-53.3-86.9000110.1F222 S223 V230 V240 I293F222-F228 WeakPolarHBondContact CA-O 3.28Å; S223-F228 PolarHBondContact N-O 2.97Å; S223-F228 PolarHBondContact OG-N 3.16Å; S223-F228 PolarHBondContact OG-O 2.81Å; F228-V230 HydrophobicContact CB-CG2 4.48Å; F228-V240 HydrophobicContact CB-CG1 4.09Å; F228-V240 HydrophobicContact CD1-CG1 3.54Å; F228-V240 HydrophobicContact CE1-CG1 4.45Å; F228-V240 HydrophobicContact CG-CG1 4.23Å; F228-I293 HydrophobicContact CD1-CG2 4.43Å; F228-I293 HydrophobicContact CE1-CG2 4.39Å
229L91Very high89.7Confident0 Ų025.8 Ų25.80%013%0.131CC..EExtended strand (participates in β ladder)trans-110.3123.2161.6171.864.2000107I209 A220 F222 W241 F243 A501 V509 L511I209-L229 HydrophobicContact CD1-CD2 3.69Å; A220-L229 HydrophobicContact CB-CD1 4.37Å; F222-L229 HydrophobicContact CD1-CB 4.04Å; F222-L229 HydrophobicContact CD1-CD1 3.95Å; F222-L229 HydrophobicContact CD2-CD1 4.26Å; F222-L229 HydrophobicContact CE1-CB 3.93Å; F222-L229 HydrophobicContact CE1-CD1 3.85Å; F222-L229 HydrophobicContact CE1-CD2 4.31Å; F222-L229 HydrophobicContact CE1-CG 4.25Å; F222-L229 HydrophobicContact CE2-CD1 4.15Å; F222-L229 HydrophobicContact CG-CD1 4.18Å; F222-L229 HydrophobicContact CZ-CD1 3.96Å; F222-L229 HydrophobicContact CZ-CD2 4.43Å; L229-W241 HydrophobicContact CB-CB 4.28Å; L229-W241 PolarHBondContact N-O 2.52Å; L229-W241 VanDerWaalsContact N-O 3.13Å; L229-W241 WeakPolarHBondContact O-CB 3.49Å; L229-W241 PolarHBondContact O-N 3.17Å; L229-F243 HydrophobicContact CB-CB 4.15Å; L229-F243 HydrophobicContact CD2-CB 4.4Å; L229-A501 HydrophobicContact CD1-CB 4.48Å; L229-V509 HydrophobicContact CD2-CG1 4.46Å; L229-L511 HydrophobicContact CD2-CD1 4.24Å; L229-L511 HydrophobicContact CD2-CD2 4.2Å
230V92.7Very high89.8Confident0 Ų025.3 Ų25.30%013%0.128CC..EExtended strand (participates in β ladder)trans-114.9135.3-179.61780000109.6A220 R221 F228 I238 E239 V240 L270 F272 L279A220-V230 CarbonylContact C-O 3.52Å; A220-V230 VanDerWaalsContact CA-O 3.32Å; A220-V230 WeakPolarHBondContact CA-O 3.39Å; R221-V230 PolarHBondContact N-O 2.87Å; R221-V230 PolarHBondContact O-N 3.12Å; F228-V230 HydrophobicContact CB-CG2 4.48Å; V230-I238 HydrophobicContact CG1-CG2 3.4Å; V230-I238 VanDerWaalsContact CG1-CG2 3.4Å; V230-E239 VanDerWaalsContact CA-O 3.25Å; V230-E239 WeakPolarHBondContact CA-O 3.25Å; V230-E239 WeakPolarHBondContact CG1-O 3.25Å; V230-V240 HydrophobicContact CG2-CB 4.21Å; V230-V240 HydrophobicContact CG2-CG1 3.99Å; V230-V240 HydrophobicContact CG2-CG2 3.84Å; V230-L270 HydrophobicContact CG1-CD1 3.89Å; V230-F272 HydrophobicContact CB-CE2 4.17Å; V230-F272 HydrophobicContact CB-CZ 3.8Å; V230-F272 HydrophobicContact CG2-CE1 4.18Å; V230-F272 HydrophobicContact CG2-CE2 4.27Å; V230-F272 HydrophobicContact CG2-CZ 3.41Å; V230-F272 VanDerWaalsContact CG2-CZ 3.41Å; V230-L279 HydrophobicContact CG1-CD1 4.29Å; V230-L279 HydrophobicContact CG1-CD2 3.81Å
231T92.8Very high89.6Confident0 Ų025.8 Ų25.80%013%0.128CC..EExtended strand (participates in β ladder)trans-119.2139.8179.757.80000109.9V217 C219 A220 I238 E239 W241 V509V217-T231 HydrophobicContact CG1-CG2 4.15Å; C219-T231 CarbonylContact O-C 3.58Å; C219-T231 WeakPolarHBondContact O-CA 3.23Å; A220-T231 HydrophobicContact CB-CG2 4.03Å; T231-I238 WeakPolarHBondContact O-CA 3.36Å; T231-E239 PolarHBondContact N-O 2.92Å; T231-E239 PolarHBondContact O-N 3.5Å; T231-W241 PolarHBondContact OG1-NE1 2.74Å; T231-V509 HydrophobicContact CG2-CG2 4.19Å
232G92.6Very high89.3Confident0 Ų023.1 Ų23.10%012%0.121CC..EExtended strand (participates in β ladder)trans-110.2126.2170.200000109.3E218 C219 L270E218-G232 PolarHBondContact N-O 2.76Å; C219-G232 PolarHBondContact N-O 2.97Å; C219-G232 PolarHBondContact O-N 3.21Å; G232-L270 VanDerWaalsContact N-CD1 3.34Å
233S91.9Very high88.8Confident1 Ų123.4 Ų23.41%0.00712%0.122CC..EExtended strand (participates in β ladder)trans-103.6165.5-17843.80000112.3H216 D235 G236 F237 V267H216-S233 WeakPolarHBondContact O-CA 3.36Å; S233-D235 WeakPolarHBondContact CB-OD1 3.27Å; S233-D235 PolarHBondContact O-N 3.26Å; S233-D235 PolarHBondContact OG-OD1 3.33Å; S233-G236 PolarHBondContact O-N 3.47Å; S233-G236 VanDerWaalsContact O-N 3.16Å; S233-F237 PolarHBondContact N-O 2.91Å; S233-F237 PolarHBondContact OG-O 2.95Å; S233-V267 PolarHBondContact O-N 2.78Å
234V90.2Very high88.4Confident53 Ų5327.2 Ų27.232%0.32115%0.145SC..THydrogen-bonded Turntrans-63.9-28.8-179.7-179.20000113.1H216 E218 G236 S266H216-V234 WeakPolarHBondContact CD2-CG2 3.48Å; H216-V234 VanDerWaalsContact CE1-CG2 3.4Å; H216-V234 WeakPolarHBondContact CE1-CG2 3.44Å; H216-V234 WeakPolarHBondContact NE2-CG2 3.47Å; H216-V234 WeakPolarHBondContact O-CG2 3.5Å; H216-V234 PolarHBondContact O-N 2.92Å; H216-V234 VanDerWaalsContact O-N 3.17Å; E218-V234 HydrophobicContact CG-CG2 3.57Å; E218-V234 WeakPolarHBondContact OE1-CG2 3.41Å; V234-G236 PolarHBondContact O-N 3.2Å; V234-S266 VanDerWaalsContact O-CA 3.22Å; V234-S266 WeakPolarHBondContact O-CA 3.49Å; V234-S266 WeakPolarHBondContact O-CB 3.41Å
235D88.3Confident88.3Confident62 Ų6228.8 Ų28.833%0.33215%0.154SC..THydrogen-bonded Turntrans-77.81.6178.257.210.3000113.4C215 S233 F237C215-D235 PolarHBondContact SG-OD2 3.09Å; S233-D235 WeakPolarHBondContact CB-OD1 3.27Å; S233-D235 PolarHBondContact O-N 3.26Å; S233-D235 PolarHBondContact OG-OD1 3.33Å; D235-F237 HydrophobicContact CB-CD2 4.21Å; D235-F237 WeakPolarHBondContact OD1-CD2 3.21Å; D235-F237 PolarHBondContact OD1-N 3.1Å; D235-F237 VanDerWaalsContact OD1-N 3.09Å; D235-F237 WeakPolarHBondContact OD2-CD2 3.29Å
236G88.5Confident88.1Confident0 Ų027.1 Ų27.10%015%0.149CC..SBendtrans89.4-1.5178.600000114.1S233 V234 M262 M263 D265S233-G236 PolarHBondContact O-N 3.47Å; S233-G236 VanDerWaalsContact O-N 3.16Å; V234-G236 PolarHBondContact O-N 3.2Å; G236-M262 CarbonylContact O-C 3.58Å; G236-M262 WeakPolarHBondContact O-CA 3.41Å; G236-M263 PolarHBondContact O-N 2.86Å; G236-D265 WeakPolarHBondContact CA-O 3.37Å
237F90.8Very high88.1Confident59 Ų5934 Ų3426%0.25918%0.176SC..EExtended strand (participates in β ladder)trans-78.3147.7178.3-71.6-70000112.9S233 D235 F260 M262S233-F237 PolarHBondContact N-O 2.91Å; S233-F237 PolarHBondContact OG-O 2.95Å; D235-F237 HydrophobicContact CB-CD2 4.21Å; D235-F237 WeakPolarHBondContact OD1-CD2 3.21Å; D235-F237 PolarHBondContact OD1-N 3.1Å; D235-F237 VanDerWaalsContact OD1-N 3.09Å; D235-F237 WeakPolarHBondContact OD2-CD2 3.29Å; F237-F260 HydrophobicContact CD1-CB 3.65Å; F237-F260 HydrophobicContact CD1-CG 4.35Å; F237-F260 HydrophobicContact CE1-CB 4.09Å; F237-F260 HydrophobicContact CE1-CD2 4.49Å; F237-M262 HydrophobicContact CD1-CB 4.25Å; F237-M262 HydrophobicContact CD1-CE 4.25Å; F237-M262 HydrophobicContact CD1-CG 3.98Å; F237-M262 HydrophobicContact CE1-CB 4.34Å; F237-M262 HydrophobicContact CE1-CE 3.26Å; F237-M262 HydrophobicContact CE1-CG 3.9Å; F237-M262 HydrophobicContact CE1-SD 4.28Å; F237-M262 HydrophobicContact CZ-CE 3.56Å; F237-M262 HydrophobicContact CZ-CG 4.48Å
238I91.9Very high88.2Confident0 Ų031 Ų310%016%0.163CC..EExtended strand (participates in β ladder)trans-123.3113.8174.2-55.7168.6000108.5V230 T231 M261 M263 V267 L270 L279 S281V230-I238 HydrophobicContact CG1-CG2 3.4Å; V230-I238 VanDerWaalsContact CG1-CG2 3.4Å; T231-I238 WeakPolarHBondContact O-CA 3.36Å; I238-M261 HydrophobicContact CB-CB 3.95Å; I238-M261 HydrophobicContact CB-CE 4.34Å; I238-M261 HydrophobicContact CD1-CB 4.45Å; I238-M261 HydrophobicContact CG2-CE 3.85Å; I238-M261 PolarHBondContact N-O 2.66Å; I238-M263 HydrophobicContact CD1-CG 4.26Å; I238-V267 HydrophobicContact CG1-CG1 4.48Å; I238-V267 HydrophobicContact CG1-CG2 4.04Å; I238-L270 HydrophobicContact CD1-CD2 4.09Å; I238-L270 HydrophobicContact CG1-CD2 4.38Å; I238-L270 HydrophobicContact CG2-CD1 4.45Å; I238-L270 HydrophobicContact CG2-CD2 4.26Å; I238-L279 HydrophobicContact CG2-CD2 3.68Å; I238-S281 VanDerWaalsContact CD1-CB 3.43Å
239E90.7Very high88Confident15 Ų1531.8 Ų31.87%0.0717%0.165CC..EExtended strand (participates in β ladder)trans-111.6147.2-173.8-63.5177.1128.100110.9V230 T231 W241 L248 F260V230-E239 VanDerWaalsContact CA-O 3.25Å; V230-E239 WeakPolarHBondContact CA-O 3.25Å; V230-E239 WeakPolarHBondContact CG1-O 3.25Å; T231-E239 PolarHBondContact N-O 2.92Å; T231-E239 PolarHBondContact O-N 3.5Å; E239-W241 HydrophobicContact CB-CZ2 4.06Å; E239-W241 VanDerWaalsContact OE2-CZ2 3.22Å; E239-W241 WeakPolarHBondContact OE2-CZ2 3.43Å; E239-L248 HydrophobicContact CB-CD1 4.06Å; E239-L248 HydrophobicContact CG-CD1 4.5Å; E239-F260 HydrophobicContact CG-CD1 4.24Å; E239-F260 HydrophobicContact CG-CE1 4.44Å
240V91.9Very high87.4Confident0 Ų038.9 Ų38.90%020%0.196CC..EExtended strand (participates in β ladder)trans-120.6117.9-175.1-174.90000108F228 V230 L248 R249 L252 Q255 M261F228-V240 HydrophobicContact CB-CG1 4.09Å; F228-V240 HydrophobicContact CD1-CG1 3.54Å; F228-V240 HydrophobicContact CE1-CG1 4.45Å; F228-V240 HydrophobicContact CG-CG1 4.23Å; V230-V240 HydrophobicContact CG2-CB 4.21Å; V230-V240 HydrophobicContact CG2-CG1 3.99Å; V230-V240 HydrophobicContact CG2-CG2 3.84Å; V240-L248 WeakPolarHBondContact O-CD1 3.29Å; V240-R249 PolarHBondContact O-N 2.48Å; V240-L252 HydrophobicContact CB-CD1 3.96Å; V240-L252 HydrophobicContact CG1-CD1 3.91Å; V240-L252 HydrophobicContact CG2-CD1 4.14Å; V240-Q255 VanDerWaalsContact CB-NE2 3.35Å; V240-Q255 VanDerWaalsContact CG2-NE2 3.31Å; V240-Q255 PolarHBondContact O-OE1 2.79Å; V240-M261 HydrophobicContact CG2-CE 3.76Å
241W89.4Confident86.7Confident19 Ų1945.2 Ų45.27%0.07223%0.23CC..EExtended strand (participates in β ladder)trans-110.5144.8-171.6-56.592.1000111.1I209 V211 L229 T231 E239 F243 L248I209-W241 HydrophobicContact CD1-CB 4.03Å; I209-W241 HydrophobicContact CD1-CD2 4.4Å; I209-W241 HydrophobicContact CD1-CG 4.15Å; I209-W241 HydrophobicContact CG2-CD2 3.59Å; I209-W241 HydrophobicContact CG2-CE3 3.5Å; I209-W241 VanDerWaalsContact CG2-CE3 3.5Å; I209-W241 HydrophobicContact CG2-CG 4.33Å; I209-W241 HydrophobicContact CG2-CH2 3.7Å; I209-W241 HydrophobicContact CG2-CZ2 3.75Å; I209-W241 HydrophobicContact CG2-CZ3 3.57Å; V211-W241 HydrophobicContact CG2-CZ2 4.07Å; L229-W241 HydrophobicContact CB-CB 4.28Å; L229-W241 PolarHBondContact N-O 2.52Å; L229-W241 VanDerWaalsContact N-O 3.13Å; L229-W241 WeakPolarHBondContact O-CB 3.49Å; L229-W241 PolarHBondContact O-N 3.17Å; T231-W241 PolarHBondContact OG1-NE1 2.74Å; E239-W241 HydrophobicContact CB-CZ2 4.06Å; E239-W241 VanDerWaalsContact OE2-CZ2 3.22Å; E239-W241 WeakPolarHBondContact OE2-CZ2 3.43Å; W241-F243 PolarHBondContact O-N 3.02Å; W241-L248 HydrophobicContact CE3-CB 4.22Å; W241-L248 HydrophobicContact CZ3-CB 4.02Å
242N86.1Confident86.2Confident39 Ų3946 Ų4621%0.20923%0.234CC..EExtended strand (participates in β ladder)trans-83.8107.2158.6-177-30.4000108T244 T245 G246 K247N242-T244 PolarHBondContact O-N 3.06Å; N242-T244 WeakPolarHBondContact OD1-CB 3.22Å; N242-T244 PolarHBondContact OD1-N 2.88Å; N242-T245 WeakPolarHBondContact CB-OG1 3.15Å; N242-T245 PolarHBondContact O-N 3.22Å; N242-T245 PolarHBondContact OD1-N 3.14Å; N242-G246 WeakPolarHBondContact O-CA 3.32Å; N242-G246 PolarHBondContact O-N 3.42Å; N242-K247 PolarHBondContact N-O 2.89Å
243F82.9Confident85.5Confident15 Ų1554 Ų547%0.06627%0.269CS..THydrogen-bonded Turntrans-62.9-25.1-176.864.4-88.9000113.4T207 F222 G226 L229 W241 H494 L499 L511T207-F243 PolarHBondContact OG1-O 3.38Å; F222-F243 HydrophobicContact CE1-CB 3.99Å; F222-F243 HydrophobicContact CE1-CG 4.2Å; G226-F243 WeakPolarHBondContact O-CE1 3.46Å; G226-F243 WeakPolarHBondContact O-CZ 3.35Å; L229-F243 HydrophobicContact CB-CB 4.15Å; L229-F243 HydrophobicContact CD2-CB 4.4Å; W241-F243 PolarHBondContact O-N 3.02Å; F243-H494 AromaticContact CE1-NE2 3.98Å; F243-H494 AromaticContact CZ-NE2 3.68Å; F243-L499 HydrophobicContact CB-CD2 4.5Å; F243-L499 HydrophobicContact CD2-CD2 3.55Å; F243-L499 HydrophobicContact CE2-CD2 4.13Å; F243-L499 HydrophobicContact CG-CD2 4.29Å; F243-L511 HydrophobicContact CB-CD1 3.86Å; F243-L511 VanDerWaalsContact O-CD1 3.26Å; F243-L511 WeakPolarHBondContact O-CD1 3.31Å
244T82.6Confident85.1Confident80 Ų8054.7 Ų54.749%0.49127%0.271SS..THydrogen-bonded Turntrans-76.3-39.9-179.3-55.10000111.6T207 N242T207-T244 WeakPolarHBondContact CG2-O 3.49Å; N242-T244 PolarHBondContact O-N 3.06Å; N242-T244 WeakPolarHBondContact OD1-CB 3.22Å; N242-T244 PolarHBondContact OD1-N 2.88Å
245T82.2Confident84.6Confident79 Ų7952.2 Ų52.249%0.48526%0.256SS..THydrogen-bonded Turntrans-93.3-17.4-179.461.80000112.9N242 K247N242-T245 WeakPolarHBondContact CB-OG1 3.15Å; N242-T245 PolarHBondContact O-N 3.22Å; N242-T245 PolarHBondContact OD1-N 3.14Å; T245-K247 PolarHBondContact O-N 2.76Å; T245-K247 PolarHBondContact OG1-N 2.97Å
246G80.1Confident83.9Confident14 Ų1451.7 Ų51.714%0.14426%0.26CS..THydrogen-bonded Turntrans67.114.9-172.500000113.6N242N242-G246 WeakPolarHBondContact O-CA 3.32Å; N242-G246 PolarHBondContact O-N 3.42Å
247K84.1Confident83.3Confident153 Ų15358.5 Ų58.567%0.66529%0.292SS*.EExtended strand (participates in β ladder)trans-104.6150.4-179.4-64.8-175.3-179.7-179.30110.9N242 T245N242-K247 PolarHBondContact N-O 2.89Å; T245-K247 PolarHBondContact O-N 2.76Å; T245-K247 PolarHBondContact OG1-N 2.97Å
248L85Confident82.7Confident36 Ų3661.4 Ų61.419%0.18831%0.311CS..EExtended strand (participates in β ladder)trans-58.5139.1170.2-172.377000109.7E239 V240 W241 K250 Q255 F260E239-L248 HydrophobicContact CB-CD1 4.06Å; E239-L248 HydrophobicContact CG-CD1 4.5Å; V240-L248 WeakPolarHBondContact O-CD1 3.29Å; W241-L248 HydrophobicContact CE3-CB 4.22Å; W241-L248 HydrophobicContact CZ3-CB 4.02Å; L248-K250 PolarHBondContact O-N 3.08Å; L248-Q255 HydrophobicContact CD2-CB 4.26Å; L248-F260 HydrophobicContact CD1-CE1 4.12Å; L248-F260 HydrophobicContact CD2-CE1 3.63Å; L248-F260 HydrophobicContact CD2-CZ 3.89Å; L248-F260 HydrophobicContact CG-CE1 4.48Å
249R82.9Confident82.1Confident42 Ų4265.1 Ų65.116%0.15833%0.334CS..  trans-81.989.5-174.3-158.5176.5-153.8144.55.1111.3Q227 V240 D251 L252 Q255Q227-R249 PolarHBondContact O-NH1 3.01Å; V240-R249 PolarHBondContact O-N 2.48Å; R249-D251 HydrophobicContact CG-CB 4.21Å; R249-D251 IonicContact NE-OD2 3.59Å; R249-D251 PolarHBondContact O-N 3.39Å; R249-L252 HydrophobicContact CB-CD1 4.46Å; R249-L252 PolarHBondContact O-N 3.02Å; R249-Q255 PolarHBondContact O-OE1 3.23Å
250K78.1Confident81.6Confident149 Ų14966.8 Ų66.865%0.64834%0.341SS*.THydrogen-bonded Turntrans-70.4-3.8176.4-63-167.7175.1-163.70114.8L248 L252 A256L248-K250 PolarHBondContact O-N 3.08Å; K250-L252 PolarHBondContact O-N 2.98Å; K250-A256 HydrophobicContact CB-CB 4.41Å; K250-A256 WeakPolarHBondContact O-CB 3.47Å
251D78.4Confident81.3Confident133 Ų13366.9 Ų66.971%0.71134%0.341SS*.THydrogen-bonded Turntrans-65.9-25.6170.2-53.6-33.7000111.4R249 K253R249-D251 HydrophobicContact CG-CB 4.21Å; R249-D251 IonicContact NE-OD2 3.59Å; R249-D251 PolarHBondContact O-N 3.39Å; D251-K253 PolarHBondContact O-N 3.09Å
252L80.8Confident81.3Confident16 Ų1670.5 Ų70.58%0.08436%0.36CS..SBendtrans-80.6110.9173.9-62.9174.2000108.8V240 R249 K250 Y254 Q255 A256V240-L252 HydrophobicContact CB-CD1 3.96Å; V240-L252 HydrophobicContact CG1-CD1 3.91Å; V240-L252 HydrophobicContact CG2-CD1 4.14Å; R249-L252 HydrophobicContact CB-CD1 4.46Å; R249-L252 PolarHBondContact O-N 3.02Å; K250-L252 PolarHBondContact O-N 2.98Å; L252-Y254 HydrophobicContact CB-CD1 3.96Å; L252-Y254 HydrophobicContact CB-CE1 3.58Å; L252-Y254 HydrophobicContact CD1-CE1 4Å; L252-Y254 WeakPolarHBondContact CD1-OH 3.17Å; L252-Y254 HydrophobicContact CD2-CE1 4.12Å; L252-Y254 HydrophobicContact CG-CE1 4.09Å; L252-Y254 PolarHBondContact O-N 2.47Å; L252-Y254 VanDerWaalsContact O-N 3.08Å; L252-Q255 HydrophobicContact CB-CB 4.41Å; L252-Q255 PolarHBondContact O-N 3.09Å; L252-A256 PolarHBondContact O-N 3.34Å
253K78.3Confident81.4Confident169 Ų16968.8 Ų68.874%0.73535%0.35SS*.Hα-helixtrans-51.9-37.9-173.9-65-174-179.6179.90113.1D251 A256 Q257D251-K253 PolarHBondContact O-N 3.09Å; K253-A256 PolarHBondContact O-N 3.44Å; K253-Q257 WeakPolarHBondContact O-CB 3.4Å; K253-Q257 VanDerWaalsContact O-CG 3.29Å; K253-Q257 WeakPolarHBondContact O-CG 3.47Å; K253-Q257 PolarHBondContact O-N 3.14Å; K253-Q257 VanDerWaalsContact O-N 3.09Å
254Y83.9Confident81.6Confident16 Ų1674.8 Ų74.86%0.06338%0.379CS..Hα-helixtrans-68.2-39.5-179.366.9-87.3000112.7L252 Q257 D258 T259 M261 I293 N295L252-Y254 HydrophobicContact CB-CD1 3.96Å; L252-Y254 HydrophobicContact CB-CE1 3.58Å; L252-Y254 HydrophobicContact CD1-CE1 4Å; L252-Y254 WeakPolarHBondContact CD1-OH 3.17Å; L252-Y254 HydrophobicContact CD2-CE1 4.12Å; L252-Y254 HydrophobicContact CG-CE1 4.09Å; L252-Y254 PolarHBondContact O-N 2.47Å; L252-Y254 VanDerWaalsContact O-N 3.08Å; Y254-Q257 CarbonylContact O-C 3.55Å; Y254-Q257 PolarHBondContact O-N 2.92Å; Y254-D258 PolarHBondContact O-N 3.21Å; Y254-T259 CarbonylContact C-O 3.58Å; Y254-T259 VanDerWaalsContact CD2-O 3.23Å; Y254-T259 WeakPolarHBondContact CD2-O 2.99Å; Y254-T259 CarbonylContact O-C 3.56Å; Y254-T259 WeakPolarHBondContact O-CA 3.37Å; Y254-T259 PolarHBondContact O-N 3.49Å; Y254-T259 VanDerWaalsContact O-O 3.09Å; Y254-T259 PolarHBondContact O-OG1 2.8Å; Y254-M261 HydrophobicContact CE2-CE 4.19Å; Y254-M261 HydrophobicContact CE2-CG 4.13Å; Y254-M261 WeakPolarHBondContact OH-CE 3.43Å; Y254-I293 VanDerWaalsContact CE1-O 3.22Å; Y254-I293 WeakPolarHBondContact CE1-O 3.44Å; Y254-I293 PolarHBondContact OH-O 2.89Å; Y254-N295 WeakPolarHBondContact CD1-O 3.22Å
255Q80.8Confident81.9Confident0 Ų074 Ų740%037%0.372CS..Hα-helixtrans-74.4-29.1173.7-74.1-172.9-9.700112.6V240 L248 R249 L252 Q257 D258 F260V240-Q255 VanDerWaalsContact CB-NE2 3.35Å; V240-Q255 VanDerWaalsContact CG2-NE2 3.31Å; V240-Q255 PolarHBondContact O-OE1 2.79Å; L248-Q255 HydrophobicContact CD2-CB 4.26Å; R249-Q255 PolarHBondContact O-OE1 3.23Å; L252-Q255 HydrophobicContact CB-CB 4.41Å; L252-Q255 PolarHBondContact O-N 3.09Å; Q255-Q257 PolarHBondContact O-N 3.38Å; Q255-D258 PolarHBondContact O-N 3.18Å; Q255-F260 HydrophobicContact CB-CE1 4.34Å; Q255-F260 HydrophobicContact CG-CD1 3.94Å; Q255-F260 HydrophobicContact CG-CE1 3.99Å
256A71.8Confident82.4Confident51 Ų5170.6 Ų70.642%0.42135%0.351SS..Hα-helixtrans-67.2-25.317200000112.7K250 L252 K253K250-A256 HydrophobicContact CB-CB 4.41Å; K250-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 3.34Å; K253-A256 PolarHBondContact O-N 3.44Å
257Q77.5Confident83Confident143 Ų14370 Ų7067%0.66834%0.344SS*.THydrogen-bonded Turntrans-96.711.4177.5-68.7173.9-3.700113K253 Y254 Q255 T259K253-Q257 WeakPolarHBondContact O-CB 3.4Å; K253-Q257 VanDerWaalsContact O-CG 3.29Å; K253-Q257 WeakPolarHBondContact O-CG 3.47Å; K253-Q257 PolarHBondContact O-N 3.14Å; K253-Q257 VanDerWaalsContact O-N 3.09Å; Y254-Q257 CarbonylContact O-C 3.55Å; Y254-Q257 PolarHBondContact O-N 2.92Å; Q255-Q257 PolarHBondContact O-N 3.38Å; Q257-T259 PolarHBondContact O-N 2.9Å
258D76.7Confident83.4Confident121 Ų12164.9 Ų64.965%0.64732%0.324SS*.THydrogen-bonded Turntrans56.417.5-176.6-61.7-35.5000115Y254 Q255 F260Y254-D258 PolarHBondContact O-N 3.21Å; Q255-D258 PolarHBondContact O-N 3.18Å; D258-F260 HydrophobicContact CB-CE2 4.11Å; D258-F260 VanDerWaalsContact O-CD2 3.3Å; D258-F260 WeakPolarHBondContact O-CD2 3.41Å; D258-F260 PolarHBondContact O-N 2.67Å
259T79.4Confident83.7Confident78 Ų7863.7 Ų63.748%0.47932%0.319SS..  trans-90.187.8170.129.40000109.5Y254 Q257Y254-T259 CarbonylContact C-O 3.58Å; Y254-T259 VanDerWaalsContact CD2-O 3.23Å; Y254-T259 WeakPolarHBondContact CD2-O 2.99Å; Y254-T259 CarbonylContact O-C 3.56Å; Y254-T259 WeakPolarHBondContact O-CA 3.37Å; Y254-T259 PolarHBondContact O-N 3.49Å; Y254-T259 VanDerWaalsContact O-O 3.09Å; Y254-T259 PolarHBondContact O-OG1 2.8Å; Q257-T259 PolarHBondContact O-N 2.9Å
260F81.1Confident84.3Confident50 Ų5062 Ų6222%0.21931%0.313CS..  trans-80.5159.5179.7-61.4-82.7000112.9F237 E239 L248 Q255 D258F237-F260 HydrophobicContact CD1-CB 3.65Å; F237-F260 HydrophobicContact CD1-CG 4.35Å; F237-F260 HydrophobicContact CE1-CB 4.09Å; F237-F260 HydrophobicContact CE1-CD2 4.49Å; E239-F260 HydrophobicContact CG-CD1 4.24Å; E239-F260 HydrophobicContact CG-CE1 4.44Å; L248-F260 HydrophobicContact CD1-CE1 4.12Å; L248-F260 HydrophobicContact CD2-CE1 3.63Å; L248-F260 HydrophobicContact CD2-CZ 3.89Å; L248-F260 HydrophobicContact CG-CE1 4.48Å; Q255-F260 HydrophobicContact CB-CE1 4.34Å; Q255-F260 HydrophobicContact CG-CD1 3.94Å; Q255-F260 HydrophobicContact CG-CE1 3.99Å; D258-F260 HydrophobicContact CB-CE2 4.11Å; D258-F260 VanDerWaalsContact O-CD2 3.3Å; D258-F260 WeakPolarHBondContact O-CD2 3.41Å; D258-F260 PolarHBondContact O-N 2.67Å
261M86.2Confident85.1Confident1 Ų155 Ų551%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-68.5130.9165.6-68.5175.3-67.300108I238 V240 Y254 L279 W291I238-M261 HydrophobicContact CB-CB 3.95Å; I238-M261 HydrophobicContact CB-CE 4.34Å; I238-M261 HydrophobicContact CD1-CB 4.45Å; I238-M261 HydrophobicContact CG2-CE 3.85Å; I238-M261 PolarHBondContact N-O 2.66Å; V240-M261 HydrophobicContact CG2-CE 3.76Å; Y254-M261 HydrophobicContact CE2-CE 4.19Å; Y254-M261 HydrophobicContact CE2-CG 4.13Å; Y254-M261 WeakPolarHBondContact OH-CE 3.43Å; M261-L279 HydrophobicContact CE-CD2 4.3Å; M261-W291 HydrophobicContact CB-CD2 4.07Å; M261-W291 HydrophobicContact CB-CE3 3.98Å; M261-W291 HydrophobicContact CB-CH2 4.26Å; M261-W291 HydrophobicContact CB-CZ2 4.33Å; M261-W291 HydrophobicContact CB-CZ3 4.07Å; M261-W291 HydrophobicContact CG-CD2 3.95Å; M261-W291 HydrophobicContact CG-CE3 3.64Å; M261-W291 HydrophobicContact CG-CG 4.36Å; M261-W291 HydrophobicContact CG-CZ3 4.06Å; M261-W291 HydrophobicContact SD-CB 3.57Å; M261-W291 VanDerWaalsContact SD-CB 3.57Å; M261-W291 HydrophobicContact SD-CD2 4Å; M261-W291 HydrophobicContact SD-CE3 4.14Å; M261-W291 HydrophobicContact SD-CG 3.77Å
262M88.8Confident85.8Confident95 Ų9549.3 Ų49.347%0.46825%0.251SS..EExtended strand (participates in β ladder)trans-137.6133.4-169.5-162.9-159.7-69.700112.1G236 F237 K289 W291G236-M262 CarbonylContact O-C 3.58Å; G236-M262 WeakPolarHBondContact O-CA 3.41Å; F237-M262 HydrophobicContact CD1-CB 4.25Å; F237-M262 HydrophobicContact CD1-CE 4.25Å; F237-M262 HydrophobicContact CD1-CG 3.98Å; F237-M262 HydrophobicContact CE1-CB 4.34Å; F237-M262 HydrophobicContact CE1-CE 3.26Å; F237-M262 HydrophobicContact CE1-CG 3.9Å; F237-M262 HydrophobicContact CE1-SD 4.28Å; F237-M262 HydrophobicContact CZ-CE 3.56Å; F237-M262 HydrophobicContact CZ-CG 4.48Å; M262-K289 PolarHBondContact O-NZ 3.16Å; M262-W291 WeakPolarHBondContact O-CH2 3.32Å; M262-W291 WeakPolarHBondContact O-CZ2 3.16Å
263M87.7Confident86.3Confident3 Ų348.5 Ų48.52%0.01525%0.247CC..  trans-101.7160.1166.7-59.1-159.975.800109.8G236 I238 D265 V267 S281 A283 T287 K289G236-M263 PolarHBondContact O-N 2.86Å; I238-M263 HydrophobicContact CD1-CG 4.26Å; M263-D265 VanDerWaalsContact C-N 3.33Å; M263-V267 HydrophobicContact CB-CG2 4.05Å; M263-V267 HydrophobicContact CG-CG2 3.89Å; M263-V267 HydrophobicContact SD-CB 4.48Å; M263-V267 HydrophobicContact SD-CG1 4.17Å; M263-V267 HydrophobicContact SD-CG2 3.83Å; M263-S281 VanDerWaalsContact SD-CB 3.51Å; M263-S281 PolarHBondContact SD-OG 3.18Å; M263-A283 HydrophobicContact CB-CB 4.19Å; M263-A283 HydrophobicContact CE-CB 3.27Å; M263-A283 HydrophobicContact SD-CB 3.73Å; M263-T287 WeakPolarHBondContact CE-OG1 3.47Å; M263-K289 HydrophobicContact CE-CB 4.41Å; M263-K289 HydrophobicContact CE-CD 4.47Å; M263-K289 HydrophobicContact CE-CG 4.25Å; M263-K289 HydrophobicContact CG-CD 4.44Å
264E86.4Confident86.7Confident142 Ų14248.9 Ų48.966%0.66424%0.244SC*.SBendtrans-79.5-21.3-177-73.5162.7-14200112.4R301E264-R301 IonicContact OE1-CZ 3.6Å; E264-R301 IonicContact OE1-NH1 3.01Å; E264-R301 PolarHBondContact OE1-NH1 3.45Å
265D90Very high86.8Confident64 Ų6451.7 Ų51.734%0.34226%0.26SS..SBendtrans-136175.7178.2-157.4-13000109.5G236 M263 V267 K284 D285G236-D265 WeakPolarHBondContact CA-O 3.37Å; M263-D265 VanDerWaalsContact C-N 3.33Å; D265-V267 PolarHBondContact O-N 3.13Å; D265-K284 HydrophobicContact CB-CB 4.38Å; D265-D285 HydrophobicContact CB-CB 4.14Å
266S91.6Very high87.1Confident7 Ų752.1 Ų52.15%0.04926%0.263CS..  trans-50.5132.1-178.7175.30000113.3V234 L268 A283 K284V234-S266 VanDerWaalsContact O-CA 3.22Å; V234-S266 WeakPolarHBondContact O-CA 3.49Å; V234-S266 WeakPolarHBondContact O-CB 3.41Å; S266-L268 PolarHBondContact O-N 2.76Å; S266-A283 CarbonylContact O-C 3.53Å; S266-A283 VanDerWaalsContact O-CA 3.24Å; S266-A283 WeakPolarHBondContact O-CA 3.25Å; S266-K284 PolarHBondContact O-N 2.81Å
267V92.8Very high88Confident0 Ų054 Ų540%026%0.263CS..EExtended strand (participates in β ladder)trans-85.598.7179.5-171.70000110E218 C219 S233 I238 M263 D265 L270E218-V267 VanDerWaalsContact CB-O 3.29Å; E218-V267 WeakPolarHBondContact CB-O 3.21Å; C219-V267 PolarHBondContact SG-O 2.86Å; C219-V267 VanDerWaalsContact SG-O 3.33Å; S233-V267 PolarHBondContact O-N 2.78Å; I238-V267 HydrophobicContact CG1-CG1 4.48Å; I238-V267 HydrophobicContact CG1-CG2 4.04Å; M263-V267 HydrophobicContact CB-CG2 4.05Å; M263-V267 HydrophobicContact CG-CG2 3.89Å; M263-V267 HydrophobicContact SD-CB 4.48Å; M263-V267 HydrophobicContact SD-CG1 4.17Å; M263-V267 HydrophobicContact SD-CG2 3.83Å; D265-V267 PolarHBondContact O-N 3.13Å; V267-L270 HydrophobicContact CG1-CD2 3.95Å; V267-L270 HydrophobicContact CG1-CG 4.03Å
268L92.6Very high88.7Confident46 Ų4648.8 Ų48.824%0.24124%0.239CC..EExtended strand (participates in β ladder)trans-76.9-30.6-177.5-60.2179.4000112.7S266 G282 K284 V310S266-L268 PolarHBondContact O-N 2.76Å; L268-G282 PolarHBondContact N-O 3.22Å; L268-K284 HydrophobicContact CD1-CB 4.12Å; L268-K284 HydrophobicContact CG-CB 4.31Å; L268-V310 WeakPolarHBondContact CB-O 3.34Å
269C92.8Very high89.5Confident11 Ų1143 Ų437%0.07421%0.209CC..EExtended strand (participates in β ladder)trans-149.1150.4-177.561.30000114S281 G282 V310 T311 I313C269-S281 WeakPolarHBondContact O-CA 3.45Å; C269-G282 PolarHBondContact N-O 2.83Å; C269-G282 PolarHBondContact O-N 3.44Å; C269-V310 PolarHBondContact SG-O 2.69Å; C269-T311 WeakPolarHBondContact CB-O 3.44Å; C269-I313 VanDerWaalsContact SG-CG1 3.58Å
270L94.5Very high90.2Very high7 Ų739.3 Ų39.34%0.03719%0.186CC..EExtended strand (participates in β ladder)trans-134.3144.8178.6-72.4171.9000110.8C219 R221 V230 G232 I238 V267 L279 A280C219-L270 VanDerWaalsContact SG-CG 3.58Å; R221-L270 WeakPolarHBondContact CD-O 3.3Å; R221-L270 PolarHBondContact NH1-O 3.03Å; V230-L270 HydrophobicContact CG1-CD1 3.89Å; G232-L270 VanDerWaalsContact N-CD1 3.34Å; I238-L270 HydrophobicContact CD1-CD2 4.09Å; I238-L270 HydrophobicContact CG1-CD2 4.38Å; I238-L270 HydrophobicContact CG2-CD1 4.45Å; I238-L270 HydrophobicContact CG2-CD2 4.26Å; V267-L270 HydrophobicContact CG1-CD2 3.95Å; V267-L270 HydrophobicContact CG1-CG 4.03Å; L270-L279 HydrophobicContact CD2-CD1 4.36Å; L270-L279 HydrophobicContact CD2-CD2 4.08Å; L270-L279 HydrophobicContact CD2-CG 4.26Å; L270-A280 WeakPolarHBondContact CA-O 3.33Å
271T94.4Very high90.9Very high3 Ų337 Ų372%0.01818%0.175CC..EExtended strand (participates in β ladder)trans-148.2145.7173.6-163.70000111.8R221 L279 A280 I313 F315R221-T271 PolarHBondContact NH1-OG1 3.27Å; T271-L279 CarbonylContact O-C 3.57Å; T271-L279 WeakPolarHBondContact O-CA 3.49Å; T271-A280 HydrophobicContact CG2-CB 3.8Å; T271-A280 PolarHBondContact N-O 2.97Å; T271-A280 PolarHBondContact O-N 2.75Å; T271-I313 VanDerWaalsContact CB-O 3.25Å; T271-I313 WeakPolarHBondContact CB-O 3.27Å; T271-I313 HydrophobicContact CG2-CB 3.9Å; T271-I313 HydrophobicContact CG2-CG2 3.52Å; T271-I313 WeakPolarHBondContact CG2-O 3.36Å; T271-I313 PolarHBondContact OG1-O 2.77Å; T271-F315 HydrophobicContact CG2-CD2 3.63Å; T271-F315 HydrophobicContact CG2-CE2 3.81Å
272F93.1Very high91.2Very high12 Ų1236.9 Ų36.95%0.05318%0.175CC..EExtended strand (participates in β ladder)trans-99.8147.2176.7-75.9-92.4000110.5R221 F222 P224 V230 L279 I293 F315R221-F272 HydrophobicContact CB-CD2 4.34Å; R221-F272 HydrophobicContact CB-CE2 4.11Å; R221-F272 HydrophobicContact CG-CD2 4.17Å; R221-F272 HydrophobicContact CG-CE2 4.38Å; R221-F272 WeakPolarHBondContact O-CE2 3.45Å; F222-F272 WeakPolarHBondContact O-CD2 3.35Å; P224-F272 VanDerWaalsContact CD-CB 3.43Å; P224-F272 HydrophobicContact CG-CB 4.03Å; V230-F272 HydrophobicContact CB-CE2 4.17Å; V230-F272 HydrophobicContact CB-CZ 3.8Å; V230-F272 HydrophobicContact CG2-CE1 4.18Å; V230-F272 HydrophobicContact CG2-CE2 4.27Å; V230-F272 HydrophobicContact CG2-CZ 3.41Å; V230-F272 VanDerWaalsContact CG2-CZ 3.41Å; F272-L279 HydrophobicContact CD1-CD1 4.03Å; F272-L279 HydrophobicContact CD2-CD1 4.02Å; F272-L279 HydrophobicContact CE1-CD1 3.94Å; F272-L279 HydrophobicContact CE2-CD1 3.91Å; F272-L279 HydrophobicContact CG-CD1 4.09Å; F272-L279 HydrophobicContact CZ-CD1 3.89Å; F272-I293 HydrophobicContact CD1-CD1 3.55Å; F272-I293 HydrophobicContact CE1-CD1 3.36Å; F272-I293 HydrophobicContact CE1-CG1 4.36Å; F272-F315 WeakPolarHBondContact O-CD2 3.29Å
273S92.8Very high91.5Very high0 Ų032.4 Ų32.40%015%0.153CC..  trans-66.1156.9161.257.50000110.2D275 S276 E277 M278S273-D275 WeakPolarHBondContact CB-OD1 3.38Å; S273-D275 PolarHBondContact O-N 2.83Å; S273-D275 PolarHBondContact OG-OD1 2.86Å; S273-S276 PolarHBondContact O-N 2.84Å; S273-E277 PolarHBondContact OG-N 3.38Å; S273-M278 PolarHBondContact N-O 2.86Å; S273-M278 WeakPolarHBondContact OG-CA 3.4Å; S273-M278 WeakPolarHBondContact OG-CB 3.5Å; S273-M278 PolarHBondContact OG-N 3.44Å; S273-M278 PolarHBondContact OG-O 2.96Å; S273-M278 VanDerWaalsContact OG-O 3.1Å
274R86.1Confident91.7Very high177 Ų17737.9 Ų37.967%0.66818%0.177SC*.THydrogen-bonded Turntrans-63.4-28-176.8-172176.3179.1-168.7-1.1113.6S276 N319R274-S276 VanDerWaalsContact C-N 3.28Å; R274-N319 PolarHBondContact N-OD1 3.37Å
275D86Confident92Very high75 Ų7533.6 Ų33.640%0.40116%0.158SC..THydrogen-bonded Turntrans-81.4-3.2175.853.522.3000113.2S273 E277 N319S273-D275 WeakPolarHBondContact CB-OD1 3.38Å; S273-D275 PolarHBondContact O-N 2.83Å; S273-D275 PolarHBondContact OG-OD1 2.86Å; D275-E277 HydrophobicContact CB-CG 4.41Å; D275-E277 PolarHBondContact O-N 2.87Å; D275-E277 PolarHBondContact OD1-N 3.01Å; D275-E277 VanDerWaalsContact OD1-N 3.15Å; D275-N319 PolarHBondContact OD2-ND2 2.88Å
276S87.5Confident92Very high8 Ų830.5 Ų30.56%0.05614%0.142CC..SBendtrans61.512-177.1-480000115.2P224 D225 S273 R274 I293P224-S276 VanDerWaalsContact CD-OG 3.32Å; P224-S276 WeakPolarHBondContact CD-OG 3.41Å; D225-S276 PolarHBondContact N-OG 2.9Å; D225-S276 VanDerWaalsContact N-OG 3.14Å; S273-S276 PolarHBondContact O-N 2.84Å; R274-S276 VanDerWaalsContact C-N 3.28Å; S276-I293 WeakPolarHBondContact O-CD1 3.43Å
277E89.2Confident92.1Very high91 Ų9130.8 Ų30.843%0.42514%0.143SC..SBendtrans-87.2-32.5179.2-64.8-166.8168.100113.2S273 D275 I293S273-E277 PolarHBondContact OG-N 3.38Å; D275-E277 HydrophobicContact CB-CG 4.41Å; D275-E277 PolarHBondContact O-N 2.87Å; D275-E277 PolarHBondContact OD1-N 3.01Å; D275-E277 VanDerWaalsContact OD1-N 3.15Å; E277-I293 PolarHBondContact O-N 2.87Å
278M92.2Very high92.2Very high34 Ų3430.8 Ų30.817%0.16714%0.143CC..EExtended strand (participates in β ladder)trans-111.3142.9-176.7-64.5-179.1-94.500111.3S273 I290 W291 L299 F315 M336S273-M278 PolarHBondContact N-O 2.86Å; S273-M278 WeakPolarHBondContact OG-CA 3.4Å; S273-M278 WeakPolarHBondContact OG-CB 3.5Å; S273-M278 PolarHBondContact OG-N 3.44Å; S273-M278 PolarHBondContact OG-O 2.96Å; S273-M278 VanDerWaalsContact OG-O 3.1Å; M278-I290 HydrophobicContact CB-CG2 4.39Å; M278-W291 CarbonylContact C-O 3.58Å; M278-W291 VanDerWaalsContact CA-O 3.27Å; M278-W291 WeakPolarHBondContact CA-O 3.02Å; M278-L299 HydrophobicContact CG-CD1 4.04Å; M278-L299 HydrophobicContact SD-CD1 4.11Å; M278-F315 HydrophobicContact CB-CZ 4.31Å; M278-M336 HydrophobicContact SD-CE 4.07Å
279L94Very high92.3Very high0 Ų028.9 Ų28.90%013%0.133CC..EExtended strand (participates in β ladder)trans-123.4127.6174.3-178.179.8000108.3V230 I238 M261 L270 T271 F272 I290 W291 I293V230-L279 HydrophobicContact CG1-CD1 4.29Å; V230-L279 HydrophobicContact CG1-CD2 3.81Å; I238-L279 HydrophobicContact CG2-CD2 3.68Å; M261-L279 HydrophobicContact CE-CD2 4.3Å; L270-L279 HydrophobicContact CD2-CD1 4.36Å; L270-L279 HydrophobicContact CD2-CD2 4.08Å; L270-L279 HydrophobicContact CD2-CG 4.26Å; T271-L279 CarbonylContact O-C 3.57Å; T271-L279 WeakPolarHBondContact O-CA 3.49Å; F272-L279 HydrophobicContact CD1-CD1 4.03Å; F272-L279 HydrophobicContact CD2-CD1 4.02Å; F272-L279 HydrophobicContact CE1-CD1 3.94Å; F272-L279 HydrophobicContact CE2-CD1 3.91Å; F272-L279 HydrophobicContact CG-CD1 4.09Å; F272-L279 HydrophobicContact CZ-CD1 3.89Å; L279-I290 CarbonylContact O-C 3.52Å; L279-I290 WeakPolarHBondContact O-CA 3.49Å; L279-W291 HydrophobicContact CB-CB 4.39Å; L279-W291 PolarHBondContact N-O 3.19Å; L279-W291 PolarHBondContact O-N 3.39Å; L279-I293 HydrophobicContact CB-CD1 4.09Å; L279-I293 HydrophobicContact CB-CG1 3.92Å
280A94.7Very high92.3Very high0 Ų028.4 Ų28.40%013%0.13CC..EExtended strand (participates in β ladder)trans-103.1136.5168.900000109.8L270 T271 K289 I313 F315 I322L270-A280 WeakPolarHBondContact CA-O 3.33Å; T271-A280 HydrophobicContact CG2-CB 3.8Å; T271-A280 PolarHBondContact N-O 2.97Å; T271-A280 PolarHBondContact O-N 2.75Å; A280-K289 CarbonylContact C-O 3.54Å; A280-K289 WeakPolarHBondContact CA-O 3.44Å; A280-I313 HydrophobicContact CB-CG2 4.04Å; A280-F315 HydrophobicContact CB-CD2 4.49Å; A280-F315 HydrophobicContact CB-CE2 3.5Å; A280-F315 HydrophobicContact CB-CZ 3.59Å; A280-I322 HydrophobicContact CB-CD1 4.15Å
281S94.9Very high92.3Very high0 Ų028.9 Ų28.90%013%0.131CC..EExtended strand (participates in β ladder)trans-125.7136.1179.866.80000110.6I238 M263 C269 I288 K289 W291I238-S281 VanDerWaalsContact CD1-CB 3.43Å; M263-S281 VanDerWaalsContact SD-CB 3.51Å; M263-S281 PolarHBondContact SD-OG 3.18Å; C269-S281 WeakPolarHBondContact O-CA 3.45Å; S281-I288 CarbonylContact O-C 3.57Å; S281-I288 VanDerWaalsContact O-CA 3.29Å; S281-I288 WeakPolarHBondContact O-CA 3.44Å; S281-K289 PolarHBondContact N-O 3.42Å; S281-K289 PolarHBondContact O-N 3.34Å; S281-K289 PolarHBondContact OG-O 3.1Å; S281-W291 PolarHBondContact OG-NE1 3.24Å
282G94.2Very high92.2Very high0 Ų033.3 Ų33.30%015%0.147CC..EExtended strand (participates in β ladder)trans-115.5129.5177.600000110.7L268 C269 I313L268-G282 PolarHBondContact N-O 3.22Å; C269-G282 PolarHBondContact N-O 2.83Å; C269-G282 PolarHBondContact O-N 3.44Å; G282-I313 VanDerWaalsContact CA-CD1 3.41Å; G282-I313 VanDerWaalsContact N-CD1 3.31Å
283A94.2Very high91.9Very high0 Ų032.8 Ų32.80%015%0.145CC..EExtended strand (participates in β ladder)trans-106.3166.9179.200000112.5M263 S266 D285 G286 T287 G309 V310M263-A283 HydrophobicContact CB-CB 4.19Å; M263-A283 HydrophobicContact CE-CB 3.27Å; M263-A283 HydrophobicContact SD-CB 3.73Å; S266-A283 CarbonylContact O-C 3.53Å; S266-A283 VanDerWaalsContact O-CA 3.24Å; S266-A283 WeakPolarHBondContact O-CA 3.25Å; A283-D285 WeakPolarHBondContact CB-OD1 3.46Å; A283-D285 PolarHBondContact O-N 3.37Å; A283-G286 PolarHBondContact O-N 3.04Å; A283-T287 PolarHBondContact N-O 3.32Å; A283-T287 VanDerWaalsContact N-O 3.07Å; A283-G309 WeakPolarHBondContact O-CA 3.44Å; A283-V310 PolarHBondContact O-N 3.02Å
284K92.4Very high91.7Very high118 Ų11839.2 Ų39.251%0.51318%0.175SC..THydrogen-bonded Turntrans-65.7-23.3176.7-173.8179-179.5-178.50113.7D265 S266 L268 G286 G309D265-K284 HydrophobicContact CB-CB 4.38Å; S266-K284 PolarHBondContact O-N 2.81Å; L268-K284 HydrophobicContact CD1-CB 4.12Å; L268-K284 HydrophobicContact CG-CB 4.31Å; K284-G286 PolarHBondContact O-N 2.91Å; K284-G309 WeakPolarHBondContact O-CA 3.38Å; K284-G309 PolarHBondContact O-N 2.78Å; K284-G309 VanDerWaalsContact O-N 3.07Å
285D91.2Very high91.6Very high52 Ų5233.4 Ų33.428%0.27816%0.157SC..THydrogen-bonded Turntrans-72.1-7.8173.764.61.5000113.9D265 A283 T287D265-D285 HydrophobicContact CB-CB 4.14Å; A283-D285 WeakPolarHBondContact CB-OD1 3.46Å; A283-D285 PolarHBondContact O-N 3.37Å; D285-T287 HydrophobicContact CB-CG2 4.49Å; D285-T287 VanDerWaalsContact CG-CG2 3.47Å; D285-T287 VanDerWaalsContact CG-OG1 3.26Å; D285-T287 VanDerWaalsContact OD1-CB 3.29Å; D285-T287 WeakPolarHBondContact OD1-CB 3.23Å; D285-T287 WeakPolarHBondContact OD1-CG2 3.48Å; D285-T287 PolarHBondContact OD1-N 3.36Å; D285-T287 PolarHBondContact OD1-OG1 3.45Å; D285-T287 VanDerWaalsContact OD2-CG2 3.29Å; D285-T287 WeakPolarHBondContact OD2-CG2 3.49Å; D285-T287 PolarHBondContact OD2-OG1 3.15Å; D285-T287 VanDerWaalsContact OD2-OG1 3.04Å
286G91Very high91.6Very high0 Ų030.4 Ų30.40%015%0.145CC..SBendtrans88.24.8-177.200000114.1A283 K284 H306 K308A283-G286 PolarHBondContact O-N 3.04Å; K284-G286 PolarHBondContact O-N 2.91Å; G286-H306 PolarHBondContact O-N 3.21Å; G286-K308 VanDerWaalsContact CA-O 3.29Å; G286-K308 WeakPolarHBondContact CA-O 3.4Å
287T93.7Very high91.7Very high12 Ų1235.6 Ų35.67%0.07417%0.168CC..  trans-85.2145.5177.770.70000111.5M263 A283 D285 L302M263-T287 WeakPolarHBondContact CE-OG1 3.47Å; A283-T287 PolarHBondContact N-O 3.32Å; A283-T287 VanDerWaalsContact N-O 3.07Å; D285-T287 HydrophobicContact CB-CG2 4.49Å; D285-T287 VanDerWaalsContact CG-CG2 3.47Å; D285-T287 VanDerWaalsContact CG-OG1 3.26Å; D285-T287 VanDerWaalsContact OD1-CB 3.29Å; D285-T287 WeakPolarHBondContact OD1-CB 3.23Å; D285-T287 WeakPolarHBondContact OD1-CG2 3.48Å; D285-T287 PolarHBondContact OD1-N 3.36Å; D285-T287 PolarHBondContact OD1-OG1 3.45Å; D285-T287 VanDerWaalsContact OD2-CG2 3.29Å; D285-T287 WeakPolarHBondContact OD2-CG2 3.49Å; D285-T287 PolarHBondContact OD2-OG1 3.15Å; D285-T287 VanDerWaalsContact OD2-OG1 3.04Å; T287-L302 WeakPolarHBondContact CA-O 3.11Å
288I94.5Very high91.8Very high0 Ų033.7 Ų33.70%016%0.164CC..EExtended strand (participates in β ladder)trans-119.9125.5171-57.5174.3000108.3S281 L302 A305 V310 I313 S324S281-I288 CarbonylContact O-C 3.57Å; S281-I288 VanDerWaalsContact O-CA 3.29Å; S281-I288 WeakPolarHBondContact O-CA 3.44Å; I288-L302 HydrophobicContact CB-CB 4.1Å; I288-L302 HydrophobicContact CB-CD1 4.08Å; I288-L302 HydrophobicContact CB-CG 4.48Å; I288-L302 HydrophobicContact CG2-CD1 4.21Å; I288-L302 PolarHBondContact N-O 2.84Å; I288-L302 VanDerWaalsContact N-O 3.11Å; I288-L302 WeakPolarHBondContact O-CB 3.47Å; I288-L302 PolarHBondContact O-N 2.77Å; I288-A305 HydrophobicContact CB-CB 4.36Å; I288-A305 HydrophobicContact CD1-CB 3.64Å; I288-A305 HydrophobicContact CG1-CB 3.78Å; I288-V310 HydrophobicContact CD1-CG1 4.18Å; I288-V310 HydrophobicContact CD1-CG2 4.19Å; I288-V310 HydrophobicContact CG1-CG1 4.25Å; I288-V310 HydrophobicContact CG1-CG2 3.86Å; I288-I313 HydrophobicContact CB-CD1 4.5Å; I288-I313 HydrophobicContact CD1-CD1 4.15Å; I288-I313 HydrophobicContact CD1-CG1 4.4Å; I288-I313 HydrophobicContact CG1-CD1 3.98Å; I288-I313 HydrophobicContact CG2-CD1 3.9Å; I288-S324 VanDerWaalsContact CD1-CB 3.5Å
289K94.2Very high91.7Very high7 Ų734.7 Ų34.73%0.0317%0.17CC..EExtended strand (participates in β ladder)trans-113144.4173.3-70.2-178.3-170.1-177.50110M262 M263 A280 S281 W291 R301M262-K289 PolarHBondContact O-NZ 3.16Å; M263-K289 HydrophobicContact CE-CB 4.41Å; M263-K289 HydrophobicContact CE-CD 4.47Å; M263-K289 HydrophobicContact CE-CG 4.25Å; M263-K289 HydrophobicContact CG-CD 4.44Å; A280-K289 CarbonylContact C-O 3.54Å; A280-K289 WeakPolarHBondContact CA-O 3.44Å; S281-K289 PolarHBondContact N-O 3.42Å; S281-K289 PolarHBondContact O-N 3.34Å; S281-K289 PolarHBondContact OG-O 3.1Å; K289-W291 HydrophobicContact CB-CZ2 3.83Å; K289-W291 HydrophobicContact CD-CH2 3.91Å; K289-W291 HydrophobicContact CD-CZ2 3.36Å; K289-W291 HydrophobicContact CG-CZ2 4.24Å; K289-R301 HydrophobicContact CG-CG 4.14Å
290I94.1Very high91.5Very high1 Ų139 Ų391%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-117.4126.1176.6-50.4178.3000107.3M278 L279 C298 L299 K300 F315 I322 M336M278-I290 HydrophobicContact CB-CG2 4.39Å; L279-I290 CarbonylContact O-C 3.52Å; L279-I290 WeakPolarHBondContact O-CA 3.49Å; I290-C298 CarbonylContact O-C 3.57Å; I290-C298 WeakPolarHBondContact O-CA 3.44Å; I290-L299 PolarHBondContact O-N 3.06Å; I290-K300 HydrophobicContact CB-CB 4.23Å; I290-K300 HydrophobicContact CD1-CB 4.03Å; I290-K300 HydrophobicContact CG1-CB 4.3Å; I290-K300 PolarHBondContact N-O 2.96Å; I290-K300 PolarHBondContact O-N 3Å; I290-F315 HydrophobicContact CG2-CZ 4.39Å; I290-I322 HydrophobicContact CD1-CD1 3.35Å; I290-I322 HydrophobicContact CG1-CD1 3.91Å; I290-M336 HydrophobicContact CD1-CE 3.5Å; I290-M336 VanDerWaalsContact CD1-CE 3.5Å; I290-M336 HydrophobicContact CD1-SD 3.39Å; I290-M336 WeakPolarHBondContact CD1-SD 3.28Å; I290-M336 HydrophobicContact CG2-CE 4.19Å
291W93.3Very high91.3Very high17 Ų1743.8 Ų43.86%0.06421%0.207CC..EExtended strand (participates in β ladder)trans-117149.1-174-5191.6000109.9M261 M262 M278 L279 S281 K289 Q297 C298M261-W291 HydrophobicContact CB-CD2 4.07Å; M261-W291 HydrophobicContact CB-CE3 3.98Å; M261-W291 HydrophobicContact CB-CH2 4.26Å; M261-W291 HydrophobicContact CB-CZ2 4.33Å; M261-W291 HydrophobicContact CB-CZ3 4.07Å; M261-W291 HydrophobicContact CG-CD2 3.95Å; M261-W291 HydrophobicContact CG-CE3 3.64Å; M261-W291 HydrophobicContact CG-CG 4.36Å; M261-W291 HydrophobicContact CG-CZ3 4.06Å; M261-W291 HydrophobicContact SD-CB 3.57Å; M261-W291 VanDerWaalsContact SD-CB 3.57Å; M261-W291 HydrophobicContact SD-CD2 4Å; M261-W291 HydrophobicContact SD-CE3 4.14Å; M261-W291 HydrophobicContact SD-CG 3.77Å; M262-W291 WeakPolarHBondContact O-CH2 3.32Å; M262-W291 WeakPolarHBondContact O-CZ2 3.16Å; M278-W291 CarbonylContact C-O 3.58Å; M278-W291 VanDerWaalsContact CA-O 3.27Å; M278-W291 WeakPolarHBondContact CA-O 3.02Å; L279-W291 HydrophobicContact CB-CB 4.39Å; L279-W291 PolarHBondContact N-O 3.19Å; L279-W291 PolarHBondContact O-N 3.39Å; S281-W291 PolarHBondContact OG-NE1 3.24Å; K289-W291 HydrophobicContact CB-CZ2 3.83Å; K289-W291 HydrophobicContact CD-CH2 3.91Å; K289-W291 HydrophobicContact CD-CZ2 3.36Å; K289-W291 HydrophobicContact CG-CZ2 4.24Å; W291-Q297 WeakPolarHBondContact CA-O 3.49Å; W291-C298 HydrophobicContact CD2-CB 4.38Å; W291-C298 HydrophobicContact CE3-CB 3.68Å; W291-C298 HydrophobicContact CH2-CB 4.08Å; W291-C298 HydrophobicContact CZ3-CB 3.52Å
292R92.4Very high91.1Very high95 Ų9544.3 Ų44.336%0.35821%0.209SC..EExtended strand (participates in β ladder)trans-96.2123.1163.3175.4177.4-79.1151.6-7.7108.5Q294 N295 G296 Q297 L299R292-Q294 PolarHBondContact O-N 2.88Å; R292-N295 VanDerWaalsContact CB-OD1 3.29Å; R292-N295 WeakPolarHBondContact CB-OD1 3.09Å; R292-N295 WeakPolarHBondContact CG-OD1 3.35Å; R292-N295 PolarHBondContact O-OD1 3.49Å; R292-G296 WeakPolarHBondContact O-CA 3.17Å; R292-G296 PolarHBondContact O-N 2.99Å; R292-Q297 PolarHBondContact N-O 3.16Å; R292-L299 HydrophobicContact CB-CD1 3.98Å; R292-L299 HydrophobicContact CB-CD2 4.14Å; R292-L299 HydrophobicContact CB-CG 3.98Å
293I88.4Confident90.4Very high2 Ų250.5 Ų50.51%0.0124%0.238CC..THydrogen-bonded Turntrans-68.3-35.2-170.7-67.4148.7000112.2F228 Y254 F272 S276 E277 L279 N295F228-I293 HydrophobicContact CD1-CG2 4.43Å; F228-I293 HydrophobicContact CE1-CG2 4.39Å; Y254-I293 VanDerWaalsContact CE1-O 3.22Å; Y254-I293 WeakPolarHBondContact CE1-O 3.44Å; Y254-I293 PolarHBondContact OH-O 2.89Å; F272-I293 HydrophobicContact CD1-CD1 3.55Å; F272-I293 HydrophobicContact CE1-CD1 3.36Å; F272-I293 HydrophobicContact CE1-CG1 4.36Å; S276-I293 WeakPolarHBondContact O-CD1 3.43Å; E277-I293 PolarHBondContact O-N 2.87Å; L279-I293 HydrophobicContact CB-CD1 4.09Å; L279-I293 HydrophobicContact CB-CG1 3.92Å; I293-N295 VanDerWaalsContact C-N 3.34Å; I293-N295 PolarHBondContact O-N 3.13Å
294Q86.5Confident89.6Confident135 Ų13559.3 Ų59.363%0.63128%0.276SS*.THydrogen-bonded Turntrans-65.2-35.7-175.6-67.8178.6-6.800113.6R292R292-Q294 PolarHBondContact O-N 2.88Å
295N85.9Confident89.2Confident54 Ų5453.7 Ų53.729%0.28925%0.252SS..THydrogen-bonded Turntrans-115.6-6.9-175.367.7-1.3000113.6Y254 R292 I293 Q297Y254-N295 WeakPolarHBondContact CD1-O 3.22Å; R292-N295 VanDerWaalsContact CB-OD1 3.29Å; R292-N295 WeakPolarHBondContact CB-OD1 3.09Å; R292-N295 WeakPolarHBondContact CG-OD1 3.35Å; R292-N295 PolarHBondContact O-OD1 3.49Å; I293-N295 VanDerWaalsContact C-N 3.34Å; I293-N295 PolarHBondContact O-N 3.13Å; N295-Q297 HydrophobicContact CB-CG 4.32Å; N295-Q297 VanDerWaalsContact ND2-CD 3.26Å; N295-Q297 PolarHBondContact ND2-OE1 3.01Å; N295-Q297 PolarHBondContact O-N 3.05Å; N295-Q297 WeakPolarHBondContact OD1-CB 3.45Å; N295-Q297 PolarHBondContact OD1-N 3.1Å
296G85.7Confident89.1Confident13 Ų1351.7 Ų51.713%0.13424%0.241CC..  trans69.19.1-179.400000114R292R292-G296 WeakPolarHBondContact O-CA 3.17Å; R292-G296 PolarHBondContact O-N 2.99Å
297Q88.8Confident88.9Confident117 Ų11759.3 Ų59.355%0.54728%0.276SS..  trans-78.5137.4-177.1-69.1-179.2-16.700110.9W291 R292 N295 L299W291-Q297 WeakPolarHBondContact CA-O 3.49Å; R292-Q297 PolarHBondContact N-O 3.16Å; N295-Q297 HydrophobicContact CB-CG 4.32Å; N295-Q297 VanDerWaalsContact ND2-CD 3.26Å; N295-Q297 PolarHBondContact ND2-OE1 3.01Å; N295-Q297 PolarHBondContact O-N 3.05Å; N295-Q297 WeakPolarHBondContact OD1-CB 3.45Å; N295-Q297 PolarHBondContact OD1-N 3.1Å; Q297-L299 PolarHBondContact O-N 3.4Å
298C91Very high88.8Confident50 Ų5064 Ų6434%0.33830%0.296SS..EExtended strand (participates in β ladder)trans-71.6108.2168.3-172.80000108.7I290 W291 K300I290-C298 CarbonylContact O-C 3.57Å; I290-C298 WeakPolarHBondContact O-CA 3.44Å; W291-C298 HydrophobicContact CD2-CB 4.38Å; W291-C298 HydrophobicContact CE3-CB 3.68Å; W291-C298 HydrophobicContact CH2-CB 4.08Å; W291-C298 HydrophobicContact CZ3-CB 3.52Å; C298-K300 PolarHBondContact SG-O 2.71Å; C298-K300 VanDerWaalsContact SG-O 3.38Å
299L90Very high88.7Confident55 Ų5564.1 Ų64.129%0.28830%0.297SS..EExtended strand (participates in β ladder)trans-71.9-44.5176.6-66.6-179.7000111.1M278 I290 R292 Q297M278-L299 HydrophobicContact CG-CD1 4.04Å; M278-L299 HydrophobicContact SD-CD1 4.11Å; I290-L299 PolarHBondContact O-N 3.06Å; R292-L299 HydrophobicContact CB-CD1 3.98Å; R292-L299 HydrophobicContact CB-CD2 4.14Å; R292-L299 HydrophobicContact CB-CG 3.98Å; Q297-L299 PolarHBondContact O-N 3.4Å
300K90.3Very high88.7Confident92 Ų9263.8 Ų63.840%0.430%0.295SS..EExtended strand (participates in β ladder)trans-145.6144.7-174.8-59.9-63.6-177.7-177.40110.7I290 C298 C339I290-K300 HydrophobicContact CB-CB 4.23Å; I290-K300 HydrophobicContact CD1-CB 4.03Å; I290-K300 HydrophobicContact CG1-CB 4.3Å; I290-K300 PolarHBondContact N-O 2.96Å; I290-K300 PolarHBondContact O-N 3Å; C298-K300 PolarHBondContact SG-O 2.71Å; C298-K300 VanDerWaalsContact SG-O 3.38Å; K300-C339 WeakPolarHBondContact CD-SG 3.39Å
301R90.9Very high88.6Confident100 Ų10065 Ų6538%0.37730%0.303SS..EExtended strand (participates in β ladder)trans-125.5124.4175.7-173.7-171.4-75-114.311.5109E264 K289 E303E264-R301 IonicContact OE1-CZ 3.6Å; E264-R301 IonicContact OE1-NH1 3.01Å; E264-R301 PolarHBondContact OE1-NH1 3.45Å; K289-R301 HydrophobicContact CG-CG 4.14Å; R301-E303 VanDerWaalsContact CD-CG 3.41Å; R301-E303 WeakPolarHBondContact CD-OE1 3.46Å; R301-E303 HydrophobicContact CG-CG 3.63Å; R301-E303 IonicContact NE-OE1 3.3Å
302L90.3Very high88.6Confident11 Ų1165 Ų656%0.05831%0.306CS..EExtended strand (participates in β ladder)trans-106.784.4175.3-55.4176.2000107.7T287 I288 K304 A305 H334 C339T287-L302 WeakPolarHBondContact CA-O 3.11Å; I288-L302 HydrophobicContact CB-CB 4.1Å; I288-L302 HydrophobicContact CB-CD1 4.08Å; I288-L302 HydrophobicContact CB-CG 4.48Å; I288-L302 HydrophobicContact CG2-CD1 4.21Å; I288-L302 PolarHBondContact N-O 2.84Å; I288-L302 VanDerWaalsContact N-O 3.11Å; I288-L302 WeakPolarHBondContact O-CB 3.47Å; I288-L302 PolarHBondContact O-N 2.77Å; L302-K304 VanDerWaalsContact C-N 3.25Å; L302-K304 PolarHBondContact O-N 3.15Å; L302-A305 HydrophobicContact CB-CB 4.04Å; L302-H334 HydrophobicContact CD1-CB 4.07Å; L302-C339 HydrophobicContact CD2-CB 3.51Å; L302-C339 WeakPolarHBondContact CD2-O 3.33Å
303E79.1Confident88.7Confident129 Ų12960.8 Ų60.860%0.60329%0.291SS*.THydrogen-bonded Turntrans-70.5-20.6-174.4-65.4-178.2169.600113.6R301R301-E303 VanDerWaalsContact CD-CG 3.41Å; R301-E303 WeakPolarHBondContact CD-OE1 3.46Å; R301-E303 HydrophobicContact CG-CG 3.63Å; R301-E303 IonicContact NE-OE1 3.3Å
304K78.8Confident89Confident185 Ų18563 Ų6380%0.80430%0.301SS*.THydrogen-bonded Turntrans-123.538.8-179-61.4-174.7-179.9-177.90111.5L302L302-K304 VanDerWaalsContact C-N 3.25Å; L302-K304 PolarHBondContact O-N 3.15Å
305A82.5Confident89.2Confident1 Ų157.1 Ų57.11%0.00827%0.273CS..SBendtrans-66.3-43.9179.600000110.9I288 L302 R332I288-A305 HydrophobicContact CB-CB 4.36Å; I288-A305 HydrophobicContact CD1-CB 3.64Å; I288-A305 HydrophobicContact CG1-CB 3.78Å; L302-A305 HydrophobicContact CB-CB 4.04Å; A305-R332 WeakPolarHBondContact O-CD 3.25Å; A305-R332 PolarHBondContact O-NH1 3.42Å
306H89.1Confident89.5Confident9 Ų955 Ų554%0.04226%0.263CS..  trans-144162.7177.4-75.3-85.5000111.5G286 K308 V310 S324 S326 D328 S330 R332G286-H306 PolarHBondContact O-N 3.21Å; H306-K308 WeakPolarHBondContact CB-O 3.29Å; H306-V310 HydrophobicContact CB-CG2 4.35Å; H306-S324 PolarHBondContact NE2-OG 2.81Å; H306-S326 WeakPolarHBondContact CB-OG 3.34Å; H306-S326 WeakPolarHBondContact ND1-CB 3.44Å; H306-D328 WeakPolarHBondContact CB-OD2 3.47Å; H306-D328 IonicContact CE1-OD1 3.99Å; H306-D328 IonicContact CG-OD2 3.51Å; H306-D328 IonicContact ND1-OD1 3.62Å; H306-D328 PolarHBondContact ND1-OD1 2.82Å; H306-D328 IonicContact ND1-OD2 2.87Å; H306-D328 PolarHBondContact ND1-OD2 2.89Å; H306-S330 PolarHBondContact CE1-OG 2.87Å; H306-S330 VanDerWaalsContact CE1-OG 3.25Å; H306-S330 PolarHBondContact ND1-OG 3.26Å; H306-S330 VanDerWaalsContact ND1-OG 3.15Å; H306-R332 VanDerWaalsContact CE1-CD 3.47Å; H306-R332 WeakPolarHBondContact CE1-CD 3.49Å
307H88.2Confident89.4Confident160 Ų16059.8 Ų59.874%0.74128%0.28SS*.SBendtrans-85.8-13.6177.9-63.295.6000113.2D328H307-D328 PolarHBondContact N-OD2 3.07Å
308K91.8Very high89.3Confident112 Ų11258.9 Ų58.949%0.48728%0.279SS..SBendtrans-135.8173.3175.9-60.8-177.3179175.70109.4G286 H306 S326 L327 D328G286-K308 VanDerWaalsContact CA-O 3.29Å; G286-K308 WeakPolarHBondContact CA-O 3.4Å; H306-K308 WeakPolarHBondContact CB-O 3.29Å; K308-S326 PolarHBondContact O-OG 3.06Å; K308-L327 HydrophobicContact CB-CB 3.72Å; K308-L327 HydrophobicContact CD-CB 4.06Å; K308-L327 WeakPolarHBondContact CD-O 3.42Å; K308-D328 HydrophobicContact CB-CB 4.23Å; K308-D328 HydrophobicContact CD-CB 4.36Å; K308-D328 HydrophobicContact CG-CB 4.23Å
309G91.3Very high89Confident2 Ų257.8 Ų57.82%0.02127%0.269CS..  trans-50.1141.4-176.900000115.2A283 K284 S326 L327A283-G309 WeakPolarHBondContact O-CA 3.44Å; K284-G309 WeakPolarHBondContact O-CA 3.38Å; K284-G309 PolarHBondContact O-N 2.78Å; K284-G309 VanDerWaalsContact O-N 3.07Å; G309-S326 VanDerWaalsContact O-CA 3.25Å; G309-S326 WeakPolarHBondContact O-CA 3.34Å; G309-S326 WeakPolarHBondContact O-CB 3.1Å; G309-S326 PolarHBondContact O-OG 2.79Å; G309-L327 WeakPolarHBondContact O-CG 3.37Å; G309-L327 PolarHBondContact O-N 2.73Å
310V94.2Very high88.9Confident0 Ų057.6 Ų57.60%027%0.271CS..EExtended strand (participates in β ladder)trans-89.1113.2-179.7-179.40000108.8L268 C269 A283 I288 H306 I313 A325L268-V310 WeakPolarHBondContact CB-O 3.34Å; C269-V310 PolarHBondContact SG-O 2.69Å; A283-V310 PolarHBondContact O-N 3.02Å; I288-V310 HydrophobicContact CD1-CG1 4.18Å; I288-V310 HydrophobicContact CD1-CG2 4.19Å; I288-V310 HydrophobicContact CG1-CG1 4.25Å; I288-V310 HydrophobicContact CG1-CG2 3.86Å; H306-V310 HydrophobicContact CB-CG2 4.35Å; V310-I313 HydrophobicContact CG1-CD1 3.74Å; V310-I313 HydrophobicContact CG1-CG1 3.45Å; V310-I313 VanDerWaalsContact CG1-CG1 3.45Å; V310-A325 CarbonylContact C-O 3.58Å; V310-A325 WeakPolarHBondContact CA-O 3.32Å; V310-A325 WeakPolarHBondContact CG1-O 3.46Å
311T92.8Very high89Confident27 Ų2756.5 Ų56.517%0.16627%0.267CS..EExtended strand (participates in β ladder)trans-86.6-32.7-173.746.40000113.1C269 A325 L327 V351 V352C269-T311 WeakPolarHBondContact CB-O 3.44Å; T311-A325 PolarHBondContact N-O 2.87Å; T311-A325 PolarHBondContact OG1-O 2.89Å; T311-L327 HydrophobicContact CG2-CD2 3.5Å; T311-L327 VanDerWaalsContact CG2-CD2 3.5Å; T311-L327 HydrophobicContact CG2-CG 3.9Å; T311-V351 HydrophobicContact CG2-CG1 4.13Å; T311-V352 WeakPolarHBondContact CB-O 3.29Å; T311-V352 PolarHBondContact OG1-O 3.28Å
312A92.7Very high89.1Confident15 Ų1551.7 Ų51.712%0.12425%0.249CC..EExtended strand (participates in β ladder)trans-148.1143.1-179.800000111.5S324 A325 V355A312-S324 CarbonylContact O-C 3.58Å; A312-S324 WeakPolarHBondContact O-CA 3.49Å; A312-A325 HydrophobicContact CB-CB 4.37Å; A312-A325 PolarHBondContact O-N 2.83Å; A312-V355 HydrophobicContact CB-CG2 3.91Å
313I94.3Very high89.3Confident8 Ų851.2 Ų51.24%0.04125%0.246CC..EExtended strand (participates in β ladder)trans-135.9142.1177.2-59.1169.8000109.4C269 T271 A280 G282 I288 V310 I322 L323C269-I313 VanDerWaalsContact SG-CG1 3.58Å; T271-I313 VanDerWaalsContact CB-O 3.25Å; T271-I313 WeakPolarHBondContact CB-O 3.27Å; T271-I313 HydrophobicContact CG2-CB 3.9Å; T271-I313 HydrophobicContact CG2-CG2 3.52Å; T271-I313 WeakPolarHBondContact CG2-O 3.36Å; T271-I313 PolarHBondContact OG1-O 2.77Å; A280-I313 HydrophobicContact CB-CG2 4.04Å; G282-I313 VanDerWaalsContact CA-CD1 3.41Å; G282-I313 VanDerWaalsContact N-CD1 3.31Å; I288-I313 HydrophobicContact CB-CD1 4.5Å; I288-I313 HydrophobicContact CD1-CD1 4.15Å; I288-I313 HydrophobicContact CD1-CG1 4.4Å; I288-I313 HydrophobicContact CG1-CD1 3.98Å; I288-I313 HydrophobicContact CG2-CD1 3.9Å; V310-I313 HydrophobicContact CG1-CD1 3.74Å; V310-I313 HydrophobicContact CG1-CG1 3.45Å; V310-I313 VanDerWaalsContact CG1-CG1 3.45Å; I313-I322 HydrophobicContact CG2-CG2 3.48Å; I313-I322 VanDerWaalsContact CG2-CG2 3.48Å; I313-L323 CarbonylContact C-O 3.54Å; I313-L323 VanDerWaalsContact CA-O 3.28Å; I313-L323 WeakPolarHBondContact CA-O 3.37Å
314Q94.2Very high90Very high48 Ų4845 Ų4522%0.22422%0.217CC..EExtended strand (participates in β ladder)trans-142.4140.7170.3-156.1-171.318.600112.3I322 L323 F357Q314-I322 WeakPolarHBondContact O-CA 3.28Å; Q314-L323 PolarHBondContact N-O 3.13Å; Q314-L323 PolarHBondContact O-N 3.48Å; Q314-F357 HydrophobicContact CB-CD2 4.42Å; Q314-F357 HydrophobicContact CG-CD2 4.48Å
315F92.5Very high90.7Very high12 Ų1236.2 Ų36.25%0.05318%0.179CC..EExtended strand (participates in β ladder)trans-76.6146.2166-76.5-83000111.4T271 F272 M278 A280 I290 I322 M336 F357T271-F315 HydrophobicContact CG2-CD2 3.63Å; T271-F315 HydrophobicContact CG2-CE2 3.81Å; F272-F315 WeakPolarHBondContact O-CD2 3.29Å; M278-F315 HydrophobicContact CB-CZ 4.31Å; A280-F315 HydrophobicContact CB-CD2 4.49Å; A280-F315 HydrophobicContact CB-CE2 3.5Å; A280-F315 HydrophobicContact CB-CZ 3.59Å; I290-F315 HydrophobicContact CG2-CZ 4.39Å; F315-I322 HydrophobicContact CD1-CD1 4.26Å; F315-I322 HydrophobicContact CD1-CG1 3.74Å; F315-I322 HydrophobicContact CE1-CD1 3.66Å; F315-I322 HydrophobicContact CE1-CG1 3.67Å; F315-I322 HydrophobicContact CG-CG1 4.47Å; F315-I322 HydrophobicContact CZ-CD1 4.01Å; F315-I322 HydrophobicContact CZ-CG1 4.35Å; F315-M336 HydrophobicContact CE1-CE 3.97Å; F315-M336 HydrophobicContact CE1-SD 3.96Å; F315-F357 WeakPolarHBondContact O-CD2 3.42Å
316S91.1Very high91.2Very high9 Ų936.2 Ų36.26%0.06318%0.179CC..  trans-67.7159.7165.162.80000111.2D318 N319 T320 H321S316-D318 WeakPolarHBondContact CB-OD1 3.32Å; S316-D318 PolarHBondContact O-N 2.96Å; S316-D318 VanDerWaalsContact O-N 3.15Å; S316-D318 PolarHBondContact OG-OD1 3.11Å; S316-N319 PolarHBondContact O-N 3.4Å; S316-N319 PolarHBondContact O-OD1 3.36Å; S316-T320 PolarHBondContact OG-N 2.89Å; S316-H321 PolarHBondContact N-O 2.92Å; S316-H321 PolarHBondContact OG-N 2.72Å; S316-H321 PolarHBondContact OG-O 2.77Å
317K84.8Confident91.4Very high114 Ų11438.4 Ų38.450%0.49619%0.19SC..THydrogen-bonded Turntrans-61.3-24.3-177.5-70.3-176.1175.2-1750114.4P359K317-P359 PolarHBondContact NZ-O 3.23Å
318D84.8Confident91.6Very high97 Ų9732.3 Ų32.352%0.51916%0.163SC..THydrogen-bonded Turntrans-99.53.4179.365.8-19.3000113.1S316 T320S316-D318 WeakPolarHBondContact CB-OD1 3.32Å; S316-D318 PolarHBondContact O-N 2.96Å; S316-D318 VanDerWaalsContact O-N 3.15Å; S316-D318 PolarHBondContact OG-OD1 3.11Å; D318-T320 HydrophobicContact CB-CG2 4.23Å; D318-T320 PolarHBondContact O-N 2.82Å; D318-T320 VanDerWaalsContact O-N 3.13Å; D318-T320 PolarHBondContact OD1-N 3.07Å; D318-T320 PolarHBondContact OD1-OG1 2.81Å; D318-T320 WeakPolarHBondContact OD2-CB 3.36Å; D318-T320 WeakPolarHBondContact OD2-CG2 3.35Å; D318-T320 PolarHBondContact OD2-OG1 3.04Å
319N85.3Confident91.6Very high27 Ų2730.1 Ų30.114%0.14416%0.155CC..SBendtrans56.720.4-177.5-56.4-27.3000114.5R274 D275 S316 M336R274-N319 PolarHBondContact N-OD1 3.37Å; D275-N319 PolarHBondContact OD2-ND2 2.88Å; S316-N319 PolarHBondContact O-N 3.4Å; S316-N319 PolarHBondContact O-OD1 3.36Å; N319-M336 WeakPolarHBondContact O-CG 3.27Å
320T88.5Confident91.7Very high51 Ų5130.2 Ų30.231%0.31316%0.155SC..SBendtrans-91.9-21.5-179.9650000113.5S316 D318 M336S316-T320 PolarHBondContact OG-N 2.89Å; D318-T320 HydrophobicContact CB-CG2 4.23Å; D318-T320 PolarHBondContact O-N 2.82Å; D318-T320 VanDerWaalsContact O-N 3.13Å; D318-T320 PolarHBondContact OD1-N 3.07Å; D318-T320 PolarHBondContact OD1-OG1 2.81Å; D318-T320 WeakPolarHBondContact OD2-CB 3.36Å; D318-T320 WeakPolarHBondContact OD2-CG2 3.35Å; D318-T320 PolarHBondContact OD2-OG1 3.04Å; T320-M336 VanDerWaalsContact C-CG 3.46Å; T320-M336 VanDerWaalsContact O-CB 3.23Å; T320-M336 WeakPolarHBondContact O-CB 3.49Å; T320-M336 VanDerWaalsContact O-CG 3.25Å; T320-M336 WeakPolarHBondContact O-CG 3.47Å; T320-M336 PolarHBondContact O-N 2.89Å
321H91.4Very high91.7Very high69 Ų6930.2 Ų30.232%0.31916%0.155SC..EExtended strand (participates in β ladder)trans-130.8148.7-175.6-59.7-50.4000111.4S316 I333 H334 I342S316-H321 PolarHBondContact N-O 2.92Å; S316-H321 PolarHBondContact OG-N 2.72Å; S316-H321 PolarHBondContact OG-O 2.77Å; H321-I333 HydrophobicContact CB-CG2 4.05Å; H321-H334 CarbonylContact C-O 3.21Å; H321-H334 VanDerWaalsContact CA-O 3.28Å; H321-H334 WeakPolarHBondContact CA-O 3.39Å; H321-I342 VanDerWaalsContact CE1-CD1 3.41Å; H321-I342 WeakPolarHBondContact CE1-CD1 3.38Å; H321-I342 VanDerWaalsContact ND1-CD1 3.35Å; H321-I342 WeakPolarHBondContact ND1-CD1 3.42Å
322I93.4Very high91.8Very high0 Ų029.8 Ų29.80%015%0.15CC..EExtended strand (participates in β ladder)trans-116.8127.2169.5-72.3176.5000108.5A280 I290 I313 Q314 F315 I333 H334 M336A280-I322 HydrophobicContact CB-CD1 4.15Å; I290-I322 HydrophobicContact CD1-CD1 3.35Å; I290-I322 HydrophobicContact CG1-CD1 3.91Å; I313-I322 HydrophobicContact CG2-CG2 3.48Å; I313-I322 VanDerWaalsContact CG2-CG2 3.48Å; Q314-I322 WeakPolarHBondContact O-CA 3.28Å; F315-I322 HydrophobicContact CD1-CD1 4.26Å; F315-I322 HydrophobicContact CD1-CG1 3.74Å; F315-I322 HydrophobicContact CE1-CD1 3.66Å; F315-I322 HydrophobicContact CE1-CG1 3.67Å; F315-I322 HydrophobicContact CG-CG1 4.47Å; F315-I322 HydrophobicContact CZ-CD1 4.01Å; F315-I322 HydrophobicContact CZ-CG1 4.35Å; I322-I333 CarbonylContact O-C 3.56Å; I322-I333 WeakPolarHBondContact O-CA 3.32Å; I322-H334 HydrophobicContact CB-CB 4.3Å; I322-H334 PolarHBondContact N-O 3.17Å; I322-H334 PolarHBondContact O-N 3.38Å; I322-M336 HydrophobicContact CD1-CE 4.44Å; I322-M336 HydrophobicContact CD1-SD 3.25Å; I322-M336 WeakPolarHBondContact CD1-SD 3.29Å; I322-M336 HydrophobicContact CG1-CG 4.35Å; I322-M336 HydrophobicContact CG1-SD 3.51Å; I322-M336 VanDerWaalsContact CG1-SD 3.51Å
323L93.9Very high91.8Very high0 Ų029.3 Ų29.30%015%0.146CC..EExtended strand (participates in β ladder)trans-92.4132.9168.1-174.365.4000108.7I313 Q314 I331 I333 V355 F357 I364I313-L323 CarbonylContact C-O 3.54Å; I313-L323 VanDerWaalsContact CA-O 3.28Å; I313-L323 WeakPolarHBondContact CA-O 3.37Å; Q314-L323 PolarHBondContact N-O 3.13Å; Q314-L323 PolarHBondContact O-N 3.48Å; L323-I331 HydrophobicContact CD1-CG2 3.46Å; L323-I331 VanDerWaalsContact CD1-CG2 3.46Å; L323-I331 HydrophobicContact CG-CG2 4.23Å; L323-I333 HydrophobicContact CD1-CD1 4.32Å; L323-I333 HydrophobicContact CD1-CG1 3.59Å; L323-V355 HydrophobicContact CD2-CB 3.72Å; L323-V355 HydrophobicContact CD2-CG2 4Å; L323-V355 HydrophobicContact CG-CB 4.09Å; L323-V355 HydrophobicContact CG-CG2 3.97Å; L323-F357 HydrophobicContact CB-CD2 4.24Å; L323-F357 HydrophobicContact CB-CE2 3.46Å; L323-F357 VanDerWaalsContact CB-CE2 3.46Å; L323-F357 HydrophobicContact CB-CZ 3.63Å; L323-F357 HydrophobicContact CD2-CD2 4.33Å; L323-F357 HydrophobicContact CD2-CE2 4.27Å; L323-F357 HydrophobicContact CD2-CZ 4.41Å; L323-F357 HydrophobicContact CG-CE2 4.49Å; L323-F357 HydrophobicContact CG-CZ 4.49Å; L323-I364 HydrophobicContact CD1-CD1 3.91Å; L323-I364 HydrophobicContact CD1-CG2 4.24Å; L323-I364 HydrophobicContact CD2-CB 4.13Å; L323-I364 HydrophobicContact CD2-CG2 3.81Å
324S94.7Very high91.8Very high0 Ų029.1 Ų29.10%015%0.145CC..EExtended strand (participates in β ladder)trans-132.1145.3175.158.50000111.1I288 H306 A312 I331 R332 H334I288-S324 VanDerWaalsContact CD1-CB 3.5Å; H306-S324 PolarHBondContact NE2-OG 2.81Å; A312-S324 CarbonylContact O-C 3.58Å; A312-S324 WeakPolarHBondContact O-CA 3.49Å; S324-I331 CarbonylContact O-C 3.51Å; S324-I331 WeakPolarHBondContact O-CA 3.32Å; S324-I331 WeakPolarHBondContact O-CG2 3.43Å; S324-R332 PolarHBondContact N-O 2.93Å; S324-R332 PolarHBondContact O-N 3.16Å; S324-R332 PolarHBondContact OG-O 3.4Å; S324-H334 PolarHBondContact OG-CE1 3.45Å; S324-H334 PolarHBondContact OG-ND1 2.99Å
325A93.8Very high91.6Very high0 Ų027.1 Ų27.10%014%0.137CC..EExtended strand (participates in β ladder)trans-121151.2170.600000110.2V310 T311 A312 V352 V355V310-A325 CarbonylContact C-O 3.58Å; V310-A325 WeakPolarHBondContact CA-O 3.32Å; V310-A325 WeakPolarHBondContact CG1-O 3.46Å; T311-A325 PolarHBondContact N-O 2.87Å; T311-A325 PolarHBondContact OG1-O 2.89Å; A312-A325 HydrophobicContact CB-CB 4.37Å; A312-A325 PolarHBondContact O-N 2.83Å; A325-V352 HydrophobicContact CB-CB 3.85Å; A325-V352 HydrophobicContact CB-CG1 3.56Å; A325-V355 HydrophobicContact CB-CB 4.39Å; A325-V355 HydrophobicContact CB-CG1 3.47Å; A325-V355 VanDerWaalsContact CB-CG1 3.47Å; A325-V355 HydrophobicContact CB-CG2 4.02Å
326S93.6Very high91.3Very high0 Ų027.7 Ų27.70%014%0.14CC..EExtended strand (participates in β ladder)trans-139.8162.4-175.2172.30000112.9H306 K308 G309 D328 H329 S330H306-S326 WeakPolarHBondContact CB-OG 3.34Å; H306-S326 WeakPolarHBondContact ND1-CB 3.44Å; K308-S326 PolarHBondContact O-OG 3.06Å; G309-S326 VanDerWaalsContact O-CA 3.25Å; G309-S326 WeakPolarHBondContact O-CA 3.34Å; G309-S326 WeakPolarHBondContact O-CB 3.1Å; G309-S326 PolarHBondContact O-OG 2.79Å; S326-D328 VanDerWaalsContact CB-OD1 3.29Å; S326-D328 WeakPolarHBondContact CB-OD1 3.3Å; S326-D328 PolarHBondContact O-N 2.96Å; S326-D328 PolarHBondContact OG-N 3.43Å; S326-D328 VanDerWaalsContact OG-N 3.08Å; S326-D328 PolarHBondContact OG-OD1 2.93Å; S326-H329 PolarHBondContact O-N 2.99Å; S326-S330 PolarHBondContact N-O 3.18Å
327L92.6Very high91Very high55 Ų5536.9 Ų36.929%0.28818%0.179SC..THydrogen-bonded Turntrans-59.9-10.8164.9-58.6178.4000113.2K308 G309 T311 H329 V351K308-L327 HydrophobicContact CB-CB 3.72Å; K308-L327 HydrophobicContact CD-CB 4.06Å; K308-L327 WeakPolarHBondContact CD-O 3.42Å; G309-L327 WeakPolarHBondContact O-CG 3.37Å; G309-L327 PolarHBondContact O-N 2.73Å; T311-L327 HydrophobicContact CG2-CD2 3.5Å; T311-L327 VanDerWaalsContact CG2-CD2 3.5Å; T311-L327 HydrophobicContact CG2-CG 3.9Å; L327-H329 PolarHBondContact O-CD2 2.85Å; L327-H329 VanDerWaalsContact O-CD2 3.23Å; L327-H329 PolarHBondContact O-N 3.06Å; L327-V351 HydrophobicContact CD2-CB 4.34Å; L327-V351 HydrophobicContact CD2-CG1 3.43Å; L327-V351 VanDerWaalsContact CD2-CG1 3.43Å; L327-V351 HydrophobicContact CD2-CG2 3.94Å
328D91.7Very high90.9Very high32 Ų3234.6 Ų34.617%0.17118%0.177CC..THydrogen-bonded Turntrans-81.96173.972.311.8000114.3H306 H307 K308 S326 S330H306-D328 WeakPolarHBondContact CB-OD2 3.47Å; H306-D328 IonicContact CE1-OD1 3.99Å; H306-D328 IonicContact CG-OD2 3.51Å; H306-D328 IonicContact ND1-OD1 3.62Å; H306-D328 PolarHBondContact ND1-OD1 2.82Å; H306-D328 IonicContact ND1-OD2 2.87Å; H306-D328 PolarHBondContact ND1-OD2 2.89Å; H307-D328 PolarHBondContact N-OD2 3.07Å; K308-D328 HydrophobicContact CB-CB 4.23Å; K308-D328 HydrophobicContact CD-CB 4.36Å; K308-D328 HydrophobicContact CG-CB 4.23Å; S326-D328 VanDerWaalsContact CB-OD1 3.29Å; S326-D328 WeakPolarHBondContact CB-OD1 3.3Å; S326-D328 PolarHBondContact O-N 2.96Å; S326-D328 PolarHBondContact OG-N 3.43Å; S326-D328 VanDerWaalsContact OG-N 3.08Å; S326-D328 PolarHBondContact OG-OD1 2.93Å; D328-S330 VanDerWaalsContact CG-OG 3.27Å; D328-S330 PolarHBondContact O-N 2.87Å; D328-S330 VanDerWaalsContact OD1-CB 3.29Å; D328-S330 WeakPolarHBondContact OD1-CB 3.4Å; D328-S330 PolarHBondContact OD1-N 2.87Å; D328-S330 PolarHBondContact OD1-OG 2.74Å; D328-S330 PolarHBondContact OD2-OG 3.25Å
329H92.7Very high90.9Very high66 Ų6631.8 Ų31.831%0.30617%0.165SC..SBendtrans69.64.5178.8-42.5170.6000114.1S326 L327 T349 G350 V351S326-H329 PolarHBondContact O-N 2.99Å; L327-H329 PolarHBondContact O-CD2 2.85Å; L327-H329 VanDerWaalsContact O-CD2 3.23Å; L327-H329 PolarHBondContact O-N 3.06Å; H329-T349 PolarHBondContact CE1-O 2.9Å; H329-T349 PolarHBondContact ND1-O 2.98Å; H329-G350 WeakPolarHBondContact CB-O 3.29Å; H329-G350 PolarHBondContact CD2-O 3.15Å; H329-V351 PolarHBondContact CD2-N 2.98Å
330S92.9Very high91Very high4 Ų437.7 Ų37.73%0.02819%0.189CC..  trans-99.7154.5177.577.70000111.7H306 S326 D328H306-S330 PolarHBondContact CE1-OG 2.87Å; H306-S330 VanDerWaalsContact CE1-OG 3.25Å; H306-S330 PolarHBondContact ND1-OG 3.26Å; H306-S330 VanDerWaalsContact ND1-OG 3.15Å; S326-S330 PolarHBondContact N-O 3.18Å; D328-S330 VanDerWaalsContact CG-OG 3.27Å; D328-S330 PolarHBondContact O-N 2.87Å; D328-S330 VanDerWaalsContact OD1-CB 3.29Å; D328-S330 WeakPolarHBondContact OD1-CB 3.4Å; D328-S330 PolarHBondContact OD1-N 2.87Å; D328-S330 PolarHBondContact OD1-OG 2.74Å; D328-S330 PolarHBondContact OD2-OG 3.25Å
331I94.5Very high91.1Very high0 Ų038.8 Ų38.80%019%0.192CC..EExtended strand (participates in β ladder)trans-118.3132.7169.1-56.7156.6000106.7L323 S324 E344 F345 V352 V355 I364 S366 W376L323-I331 HydrophobicContact CD1-CG2 3.46Å; L323-I331 VanDerWaalsContact CD1-CG2 3.46Å; L323-I331 HydrophobicContact CG-CG2 4.23Å; S324-I331 CarbonylContact O-C 3.51Å; S324-I331 WeakPolarHBondContact O-CA 3.32Å; S324-I331 WeakPolarHBondContact O-CG2 3.43Å; I331-E344 CarbonylContact O-C 3.55Å; I331-E344 WeakPolarHBondContact O-CA 3.44Å; I331-F345 HydrophobicContact CB-CB 4.18Å; I331-F345 HydrophobicContact CB-CD2 4.23Å; I331-F345 HydrophobicContact CG2-CD2 4.15Å; I331-F345 PolarHBondContact N-O 2.56Å; I331-F345 PolarHBondContact O-N 2.85Å; I331-V352 HydrophobicContact CD1-CG1 4.2Å; I331-V352 HydrophobicContact CD1-CG2 4.43Å; I331-V352 HydrophobicContact CG1-CB 4.43Å; I331-V352 HydrophobicContact CG1-CG1 3.98Å; I331-V352 HydrophobicContact CG1-CG2 4.1Å; I331-V355 HydrophobicContact CD1-CG1 4.28Å; I331-V355 HydrophobicContact CG1-CG1 4.08Å; I331-V355 HydrophobicContact CG2-CG1 4.05Å; I331-I364 HydrophobicContact CG2-CD1 4.02Å; I331-S366 WeakPolarHBondContact CD1-OG 3.49Å; I331-W376 HydrophobicContact CD1-CZ2 4.38Å
332R94.2Very high91Very high18 Ų1839.6 Ų39.67%0.06820%0.198CC..EExtended strand (participates in β ladder)trans-126.8141.8-177.2-69175.1179.8-176.4-3.3110.7A305 H306 S324 I341 K343 E344A305-R332 WeakPolarHBondContact O-CD 3.25Å; A305-R332 PolarHBondContact O-NH1 3.42Å; H306-R332 VanDerWaalsContact CE1-CD 3.47Å; H306-R332 WeakPolarHBondContact CE1-CD 3.49Å; S324-R332 PolarHBondContact N-O 2.93Å; S324-R332 PolarHBondContact O-N 3.16Å; S324-R332 PolarHBondContact OG-O 3.4Å; R332-I341 HydrophobicContact CB-CG2 4.36Å; R332-I341 HydrophobicContact CG-CG2 4.35Å; R332-K343 WeakPolarHBondContact CA-O 3.22Å; R332-E344 HydrophobicContact CG-CB 4.25Å; R332-E344 HydrophobicContact CG-CG 4.03Å; R332-E344 IonicContact CZ-OE1 3.97Å; R332-E344 VanDerWaalsContact CZ-OE1 3.3Å; R332-E344 IonicContact NE-OE1 3.28Å; R332-E344 PolarHBondContact NE-OE1 3.21Å; R332-E344 IonicContact NH2-OE1 3.85Å; R332-E344 PolarHBondContact NH2-OE1 3.05Å; R332-E344 IonicContact NH2-OE2 2.77Å
333I93.9Very high90.9Very high5 Ų542.2 Ų42.23%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-105.2124.8169.2-68.5171.3000108.2H321 I322 L323 I342 K343 F345 I378H321-I333 HydrophobicContact CB-CG2 4.05Å; I322-I333 CarbonylContact O-C 3.56Å; I322-I333 WeakPolarHBondContact O-CA 3.32Å; L323-I333 HydrophobicContact CD1-CD1 4.32Å; L323-I333 HydrophobicContact CD1-CG1 3.59Å; I333-I342 HydrophobicContact CG2-CB 4.45Å; I333-I342 HydrophobicContact CG2-CD1 4.49Å; I333-I342 PolarHBondContact O-N 3.1Å; I333-K343 HydrophobicContact CB-CB 4.42Å; I333-K343 PolarHBondContact N-O 3.36Å; I333-K343 PolarHBondContact O-N 2.86Å; I333-F345 HydrophobicContact CD1-CE2 3.54Å; I333-F345 HydrophobicContact CD1-CZ 3.81Å; I333-F345 HydrophobicContact CG1-CE2 3.88Å; I333-I378 HydrophobicContact CD1-CG1 4.1Å; I333-I378 HydrophobicContact CD1-CG2 3.98Å
334H92.7Very high90.8Very high5 Ų546.5 Ų46.52%0.02323%0.229CC..EExtended strand (participates in β ladder)trans-107.2135.4179.6-62.296.2000110.3L302 H321 I322 S324 K340L302-H334 HydrophobicContact CD1-CB 4.07Å; H321-H334 CarbonylContact C-O 3.21Å; H321-H334 VanDerWaalsContact CA-O 3.28Å; H321-H334 WeakPolarHBondContact CA-O 3.39Å; I322-H334 HydrophobicContact CB-CB 4.3Å; I322-H334 PolarHBondContact N-O 3.17Å; I322-H334 PolarHBondContact O-N 3.38Å; S324-H334 PolarHBondContact OG-CE1 3.45Å; S324-H334 PolarHBondContact OG-ND1 2.99Å; H334-K340 WeakPolarHBondContact CA-O 3.41Å
335G90.7Very high90.7Very high5 Ų546.6 Ų46.65%0.05223%0.23CC..EExtended strand (participates in β ladder)trans-80.8127.3171.500000111.5K337 C339 K340G335-K337 VanDerWaalsContact C-N 3.34Å; G335-K337 PolarHBondContact O-N 2.84Å; G335-C339 VanDerWaalsContact O-CA 3.27Å; G335-C339 WeakPolarHBondContact O-CA 3.32Å; G335-C339 PolarHBondContact O-N 3.33Å; G335-K340 PolarHBondContact N-O 3.32Å
336M87.4Confident90.5Very high25 Ų2551.4 Ų51.412%0.12326%0.259CS..THydrogen-bonded Turntrans-64.9-35.5-179.5-73.4-65.9-6500113.7M278 I290 F315 N319 T320 I322M278-M336 HydrophobicContact SD-CE 4.07Å; I290-M336 HydrophobicContact CD1-CE 3.5Å; I290-M336 VanDerWaalsContact CD1-CE 3.5Å; I290-M336 HydrophobicContact CD1-SD 3.39Å; I290-M336 WeakPolarHBondContact CD1-SD 3.28Å; I290-M336 HydrophobicContact CG2-CE 4.19Å; F315-M336 HydrophobicContact CE1-CE 3.97Å; F315-M336 HydrophobicContact CE1-SD 3.96Å; N319-M336 WeakPolarHBondContact O-CG 3.27Å; T320-M336 VanDerWaalsContact C-CG 3.46Å; T320-M336 VanDerWaalsContact O-CB 3.23Å; T320-M336 WeakPolarHBondContact O-CB 3.49Å; T320-M336 VanDerWaalsContact O-CG 3.25Å; T320-M336 WeakPolarHBondContact O-CG 3.47Å; T320-M336 PolarHBondContact O-N 2.89Å; I322-M336 HydrophobicContact CD1-CE 4.44Å; I322-M336 HydrophobicContact CD1-SD 3.25Å; I322-M336 WeakPolarHBondContact CD1-SD 3.29Å; I322-M336 HydrophobicContact CG1-CG 4.35Å; I322-M336 HydrophobicContact CG1-SD 3.51Å; I322-M336 VanDerWaalsContact CG1-SD 3.51Å
337K84.4Confident90.1Very high202 Ų20252.9 Ų52.988%0.87827%0.274SS*.THydrogen-bonded Turntrans-77.8-42.6179.6-66.1-174.1-179.9-179.10112.5G335G335-K337 VanDerWaalsContact C-N 3.34Å; G335-K337 PolarHBondContact O-N 2.84Å
338S82.5Confident90Very high65 Ų6550.8 Ų50.846%0.45526%0.263SS..THydrogen-bonded Turntrans-87.4-22-175.259.90000113.3K340S338-K340 PolarHBondContact O-N 3.21Å; S338-K340 VanDerWaalsContact O-N 3.16Å; S338-K340 PolarHBondContact OG-N 3.37Å
339C84.2Confident89.8Confident39 Ų3954.5 Ų54.526%0.26429%0.287SS..  trans53.426.5-169.8-64.60000113.5K300 L302 G335K300-C339 WeakPolarHBondContact CD-SG 3.39Å; L302-C339 HydrophobicContact CD2-CB 3.51Å; L302-C339 WeakPolarHBondContact CD2-O 3.33Å; G335-C339 VanDerWaalsContact O-CA 3.27Å; G335-C339 WeakPolarHBondContact O-CA 3.32Å; G335-C339 PolarHBondContact O-N 3.33Å
340K87.2Confident89.7Confident151 Ų15152 Ų5266%0.65728%0.279SS*.SBendtrans-108.9153.5178-69.3179.5-178.7-176.30110.1H334 G335 S338 I342H334-K340 WeakPolarHBondContact CA-O 3.41Å; G335-K340 PolarHBondContact N-O 3.32Å; S338-K340 PolarHBondContact O-N 3.21Å; S338-K340 VanDerWaalsContact O-N 3.16Å; S338-K340 PolarHBondContact OG-N 3.37Å; K340-I342 PolarHBondContact O-N 3.02Å
341I90.5Very high89.6Confident74 Ų7453.5 Ų53.538%0.37929%0.288SS..EExtended strand (participates in β ladder)trans-67122.2167.9-57.5161.3000107.3R332 K343R332-I341 HydrophobicContact CB-CG2 4.36Å; R332-I341 HydrophobicContact CG-CG2 4.35Å; I341-K343 WeakPolarHBondContact CG2-O 3.41Å
342I90.3Very high89.5Confident86 Ų8653.5 Ų53.544%0.44129%0.288SS..EExtended strand (participates in β ladder)trans-90-43.6175.5-57.9176.1000109.2H321 I333 K340H321-I342 VanDerWaalsContact CE1-CD1 3.41Å; H321-I342 WeakPolarHBondContact CE1-CD1 3.38Å; H321-I342 VanDerWaalsContact ND1-CD1 3.35Å; H321-I342 WeakPolarHBondContact ND1-CD1 3.42Å; I333-I342 HydrophobicContact CG2-CB 4.45Å; I333-I342 HydrophobicContact CG2-CD1 4.49Å; I333-I342 PolarHBondContact O-N 3.1Å; K340-I342 PolarHBondContact O-N 3.02Å
343K91Very high89.4Confident55 Ų5554.7 Ų54.724%0.23930%0.296CS..EExtended strand (participates in β ladder)trans-143.2148.3-179.2-67.2-163.6167.8-139.70111.3R332 I333 I341 F345 I378 R379R332-K343 WeakPolarHBondContact CA-O 3.22Å; I333-K343 HydrophobicContact CB-CB 4.42Å; I333-K343 PolarHBondContact N-O 3.36Å; I333-K343 PolarHBondContact O-N 2.86Å; I341-K343 WeakPolarHBondContact CG2-O 3.41Å; K343-F345 HydrophobicContact CB-CE2 4.14Å; K343-F345 HydrophobicContact CB-CZ 4.27Å; K343-F345 HydrophobicContact CD-CZ 4.37Å; K343-I378 WeakPolarHBondContact CD-O 3.41Å; K343-I378 WeakPolarHBondContact CE-O 2.98Å; K343-I378 PolarHBondContact NZ-O 2.85Å; K343-R379 PolarHBondContact NZ-O 3.22Å
344E92.2Very high89.2Confident90 Ų9055.2 Ų55.242%0.42130%0.299SS..EExtended strand (participates in β ladder)trans-128.1129.7174-179.1167.6-154.500107.8I331 R332 T346I331-E344 CarbonylContact O-C 3.55Å; I331-E344 WeakPolarHBondContact O-CA 3.44Å; R332-E344 HydrophobicContact CG-CB 4.25Å; R332-E344 HydrophobicContact CG-CG 4.03Å; R332-E344 IonicContact CZ-OE1 3.97Å; R332-E344 VanDerWaalsContact CZ-OE1 3.3Å; R332-E344 IonicContact NE-OE1 3.28Å; R332-E344 PolarHBondContact NE-OE1 3.21Å; R332-E344 IonicContact NH2-OE1 3.85Å; R332-E344 PolarHBondContact NH2-OE1 3.05Å; R332-E344 IonicContact NH2-OE2 2.77Å; E344-T346 HydrophobicContact CG-CG2 4.14Å
345F92.6Very high89.2Confident2 Ų255.5 Ų55.51%0.00930%0.302CS..EExtended strand (participates in β ladder)trans-110.4120.6177-52.5-92.9000107.8I331 I333 K343 I364 W376 G381I331-F345 HydrophobicContact CB-CB 4.18Å; I331-F345 HydrophobicContact CB-CD2 4.23Å; I331-F345 HydrophobicContact CG2-CD2 4.15Å; I331-F345 PolarHBondContact N-O 2.56Å; I331-F345 PolarHBondContact O-N 2.85Å; I333-F345 HydrophobicContact CD1-CE2 3.54Å; I333-F345 HydrophobicContact CD1-CZ 3.81Å; I333-F345 HydrophobicContact CG1-CE2 3.88Å; K343-F345 HydrophobicContact CB-CE2 4.14Å; K343-F345 HydrophobicContact CB-CZ 4.27Å; K343-F345 HydrophobicContact CD-CZ 4.37Å; F345-I364 HydrophobicContact CD1-CD1 4.42Å; F345-I364 HydrophobicContact CD2-CD1 3.71Å; F345-I364 HydrophobicContact CE1-CD1 4.23Å; F345-I364 HydrophobicContact CE2-CD1 3.53Å; F345-I364 HydrophobicContact CG-CD1 4.17Å; F345-I364 HydrophobicContact CZ-CD1 3.8Å; F345-I364 HydrophobicContact CZ-CG1 4.47Å; F345-W376 HydrophobicContact CB-CD2 3.96Å; F345-W376 HydrophobicContact CB-CE3 3.8Å; F345-W376 HydrophobicContact CB-CH2 4.4Å; F345-W376 HydrophobicContact CB-CZ3 4.02Å; F345-W376 HydrophobicContact CD1-CB 3.66Å; F345-W376 AromaticContact CD1-CD2 3.96Å; F345-W376 HydrophobicContact CD1-CD2 3.96Å; F345-W376 AromaticContact CD1-CE3 3.71Å; F345-W376 HydrophobicContact CD1-CE3 3.71Å; F345-W376 AromaticContact CD1-CG 3.98Å; F345-W376 HydrophobicContact CD1-CG 3.98Å; F345-W376 HydrophobicContact CE1-CB 3.72Å; F345-W376 HydrophobicContact CE1-CG 4.48Å; F345-W376 HydrophobicContact CG-CB 4.41Å; F345-W376 HydrophobicContact CG-CD2 4.23Å; F345-W376 HydrophobicContact CG-CE3 4.18Å; F345-W376 HydrophobicContact CG-CG 4.35Å; F345-G381 WeakPolarHBondContact CD1-O 3.49Å
346T89.3Confident89.2Confident100 Ų10055.6 Ų55.661%0.61330%0.302SS*.  trans-120.6139.4177.653.70000108.6E344 W376E344-T346 HydrophobicContact CG-CG2 4.14Å; T346-W376 WeakPolarHBondContact O-CH2 3.5Å
347G85.4Confident89.4Confident31 Ų3155.3 Ų55.332%0.3230%0.3SS..  trans156.2-17.2177.700000114.6R374G347-R374 VanDerWaalsContact O-CZ 3.26Å; G347-R374 PolarHBondContact O-NH2 3.14Å
348H88.7Confident89.6Confident12 Ų1245.8 Ų45.86%0.05626%0.259CS..  trans-69.7140.4164.5-80.1-61.6000110.6V352 S366 S368 D370 S372 R374 W376H348-V352 HydrophobicContact CB-CG2 3.99Å; H348-S366 PolarHBondContact NE2-OG 3.01Å; H348-S368 VanDerWaalsContact CE1-CB 3.44Å; H348-S368 WeakPolarHBondContact CE1-CB 3.31Å; H348-S368 WeakPolarHBondContact ND1-CB 3.35Å; H348-D370 WeakPolarHBondContact CA-OD2 3.24Å; H348-D370 IonicContact CE1-OD2 3.88Å; H348-D370 IonicContact CG-OD2 2.77Å; H348-D370 IonicContact ND1-OD1 3.86Å; H348-D370 IonicContact ND1-OD2 3.44Å; H348-D370 PolarHBondContact ND1-OD2 2.78Å; H348-S372 PolarHBondContact CE1-OG 3.29Å; H348-S372 VanDerWaalsContact CE1-OG 3.29Å; H348-S372 PolarHBondContact ND1-OG 3.33Å; H348-R374 VanDerWaalsContact CE1-CD 3.49Å; H348-R374 WeakPolarHBondContact CE1-CD 3.45Å; H348-W376 AromaticContact CD2-CZ2 3.93Å
349T89.4Confident89.6Confident109 Ų10944.7 Ų44.767%0.66925%0.25SS*.SBendtrans-97.7-8.6179.251.30000112.7H329 D370H329-T349 PolarHBondContact CE1-O 2.9Å; H329-T349 PolarHBondContact ND1-O 2.98Å; T349-D370 PolarHBondContact N-OD2 3.17Å; T349-D370 VanDerWaalsContact N-OD2 3.09Å; T349-D370 VanDerWaalsContact OG1-CB 3.28Å; T349-D370 WeakPolarHBondContact OG1-CB 3.29Å
350G89.2Confident89.5Confident13 Ų1346.4 Ų46.413%0.13426%0.257CS..SBendtrans-127.4-179.5175.400000112.5H329 V352 S368H329-G350 WeakPolarHBondContact CB-O 3.29Å; H329-G350 PolarHBondContact CD2-O 3.15Å; G350-V352 PolarHBondContact O-N 3.25Å; G350-S368 PolarHBondContact O-OG 3.38Å
351V90.9Very high89.2Confident36 Ų3641.3 Ų41.322%0.21825%0.247CC..  trans-54.7133.5176.4173.20000110.6T311 L327 H329 N353 S368 A369T311-V351 HydrophobicContact CG2-CG1 4.13Å; L327-V351 HydrophobicContact CD2-CB 4.34Å; L327-V351 HydrophobicContact CD2-CG1 3.43Å; L327-V351 VanDerWaalsContact CD2-CG1 3.43Å; L327-V351 HydrophobicContact CD2-CG2 3.94Å; H329-V351 PolarHBondContact CD2-N 2.98Å; V351-N353 VanDerWaalsContact CG1-OD1 3.25Å; V351-N353 WeakPolarHBondContact CG1-OD1 3.42Å; V351-S368 CarbonylContact O-C 3.51Å; V351-S368 VanDerWaalsContact O-CA 3.23Å; V351-S368 WeakPolarHBondContact O-CA 3.35Å; V351-S368 WeakPolarHBondContact O-CB 3.35Å; V351-S368 PolarHBondContact O-OG 2.86Å; V351-A369 HydrophobicContact CB-CB 4.19Å; V351-A369 PolarHBondContact O-N 2.95Å
352V92.5Very high89Confident0 Ų044 Ų440%026%0.258CS..EExtended strand (participates in β ladder)trans-88.1115.8171.8-174.80000107.6T311 A325 I331 H348 G350 V355T311-V352 WeakPolarHBondContact CB-O 3.29Å; T311-V352 PolarHBondContact OG1-O 3.28Å; A325-V352 HydrophobicContact CB-CB 3.85Å; A325-V352 HydrophobicContact CB-CG1 3.56Å; I331-V352 HydrophobicContact CD1-CG1 4.2Å; I331-V352 HydrophobicContact CD1-CG2 4.43Å; I331-V352 HydrophobicContact CG1-CB 4.43Å; I331-V352 HydrophobicContact CG1-CG1 3.98Å; I331-V352 HydrophobicContact CG1-CG2 4.1Å; H348-V352 HydrophobicContact CB-CG2 3.99Å; G350-V352 PolarHBondContact O-N 3.25Å; V352-V355 HydrophobicContact CG1-CG1 3.88Å
353N91.3Very high89Confident44 Ų4441.6 Ų41.624%0.23525%0.246CC..EExtended strand (participates in β ladder)trans-93.2-27.7-175.1-68.8-36.4000112.3V351 G367 I400 H401V351-N353 VanDerWaalsContact CG1-OD1 3.25Å; V351-N353 WeakPolarHBondContact CG1-OD1 3.42Å; N353-G367 PolarHBondContact N-O 3.33Å; N353-I400 WeakPolarHBondContact CB-O 3.48Å; N353-I400 PolarHBondContact ND2-O 2.83Å; N353-H401 VanDerWaalsContact CB-O 3.22Å; N353-H401 WeakPolarHBondContact CB-O 3.45Å
354S90.4Very high89.1Confident15 Ų1539 Ų3911%0.10523%0.234CC..EExtended strand (participates in β ladder)trans-146.6143.4-174.5-174.70000111.7S366 G367 V403S354-S366 CarbonylContact O-C 3.5Å; S354-S366 VanDerWaalsContact O-CA 3.31Å; S354-S366 WeakPolarHBondContact O-CA 3.13Å; S354-G367 PolarHBondContact N-O 3.39Å; S354-G367 PolarHBondContact O-N 3.2Å; S354-V403 PolarHBondContact OG-N 3.44Å; S354-V403 VanDerWaalsContact OG-N 3.14Å
355V92.4Very high89.1Confident11 Ų1134.7 Ų34.77%0.06721%0.214CC..EExtended strand (participates in β ladder)trans-140.2142177-710000110.1A312 L323 A325 I331 V352 I365A312-V355 HydrophobicContact CB-CG2 3.91Å; L323-V355 HydrophobicContact CD2-CB 3.72Å; L323-V355 HydrophobicContact CD2-CG2 4Å; L323-V355 HydrophobicContact CG-CB 4.09Å; L323-V355 HydrophobicContact CG-CG2 3.97Å; A325-V355 HydrophobicContact CB-CB 4.39Å; A325-V355 HydrophobicContact CB-CG1 3.47Å; A325-V355 VanDerWaalsContact CB-CG1 3.47Å; A325-V355 HydrophobicContact CB-CG2 4.02Å; I331-V355 HydrophobicContact CD1-CG1 4.28Å; I331-V355 HydrophobicContact CG1-CG1 4.08Å; I331-V355 HydrophobicContact CG2-CG1 4.05Å; V352-V355 HydrophobicContact CG1-CG1 3.88Å; V355-I365 CarbonylContact C-O 3.6Å; V355-I365 WeakPolarHBondContact CA-O 3.45Å
356A92Very high89.1Confident8 Ų834.6 Ų34.67%0.06621%0.214CC..EExtended strand (participates in β ladder)trans-143.1144.8171.900000113.2I364 I365 L405A356-I364 CarbonylContact O-C 3.57Å; A356-I364 WeakPolarHBondContact O-CA 3.29Å; A356-I365 HydrophobicContact CB-CG2 3.79Å; A356-I365 PolarHBondContact N-O 2.95Å; A356-I365 PolarHBondContact O-N 2.84Å; A356-L405 HydrophobicContact CB-CD1 4.15Å; A356-L405 HydrophobicContact CB-CG 4.33Å
357F90.7Very high89.2Confident18 Ų1829.9 Ų29.98%0.07919%0.185CC..EExtended strand (participates in β ladder)trans-74.1128.5165.4-77.1-73.1000110Q314 F315 L323 I364 I378 L405Q314-F357 HydrophobicContact CB-CD2 4.42Å; Q314-F357 HydrophobicContact CG-CD2 4.48Å; F315-F357 WeakPolarHBondContact O-CD2 3.42Å; L323-F357 HydrophobicContact CB-CD2 4.24Å; L323-F357 HydrophobicContact CB-CE2 3.46Å; L323-F357 VanDerWaalsContact CB-CE2 3.46Å; L323-F357 HydrophobicContact CB-CZ 3.63Å; L323-F357 HydrophobicContact CD2-CD2 4.33Å; L323-F357 HydrophobicContact CD2-CE2 4.27Å; L323-F357 HydrophobicContact CD2-CZ 4.41Å; L323-F357 HydrophobicContact CG-CE2 4.49Å; L323-F357 HydrophobicContact CG-CZ 4.49Å; F357-I364 HydrophobicContact CD1-CG2 3.62Å; F357-I364 HydrophobicContact CE1-CG2 3.79Å; F357-I364 HydrophobicContact CG-CG2 4.43Å; F357-I378 HydrophobicContact CD1-CD1 3.96Å; F357-I378 HydrophobicContact CE1-CD1 3.83Å; F357-L405 WeakPolarHBondContact O-CD1 3.45Å
358L89.1Confident89.5Confident2 Ų228.4 Ų28.41%0.0117%0.17CC..  trans-71.3156.9173.8-74.6160.9000111.2D360 G361 N363 I365 I375 L405 M427L358-D360 WeakPolarHBondContact CB-OD1 3.25Å; L358-D360 PolarHBondContact O-N 3.28Å; L358-G361 PolarHBondContact O-N 3.01Å; L358-G361 VanDerWaalsContact O-N 3.09Å; L358-N363 HydrophobicContact CB-CB 4.28Å; L358-N363 WeakPolarHBondContact CB-O 3.18Å; L358-N363 HydrophobicContact CD1-CB 3.42Å; L358-N363 VanDerWaalsContact CD1-CB 3.42Å; L358-N363 HydrophobicContact CG-CB 4.42Å; L358-N363 PolarHBondContact N-O 2.95Å; L358-I365 HydrophobicContact CG-CB 4.45Å; L358-I375 HydrophobicContact CD1-CG2 3.85Å; L358-L405 HydrophobicContact CD2-CD1 4.25Å; L358-L405 HydrophobicContact CD2-CD2 3.54Å; L358-M427 HydrophobicContact CD1-CE 3.45Å; L358-M427 VanDerWaalsContact CD1-CE 3.45Å; L358-M427 HydrophobicContact CD2-CE 3.48Å; L358-M427 VanDerWaalsContact CD2-CE 3.48Å; L358-M427 HydrophobicContact CD2-SD 3.93Å; L358-M427 HydrophobicContact CG-CE 4.11Å
359P82.6Confident89.5Confident43 Ų4329.6 Ų29.628%0.27918%0.182SC..THydrogen-bonded Turntrans-64.9-23.1-175.2-2437000113.7K317 G361 L405 T410K317-P359 PolarHBondContact NZ-O 3.23Å; P359-G361 PolarHBondContact O-N 3.41Å; P359-L405 HydrophobicContact CG-CD1 4.48Å; P359-T410 HydrophobicContact CB-CG2 3.69Å; P359-T410 HydrophobicContact CG-CG2 3.69Å
360D82.1Confident89.3Confident75 Ų7525 Ų2540%0.40115%0.153SC..THydrogen-bonded Turntrans-64.7-19.8175.263.412.9000113.6L358 H362 N363L358-D360 WeakPolarHBondContact CB-OD1 3.25Å; L358-D360 PolarHBondContact O-N 3.28Å; D360-H362 PolarHBondContact O-N 3.41Å; D360-H362 PolarHBondContact OD1-N 3.07Å; D360-N363 PolarHBondContact OD1-N 3.38Å; D360-N363 PolarHBondContact OD2-ND2 3.08Å
361G80.9Confident89.1Confident43 Ų4324.7 Ų24.744%0.44315%0.15SC..SBendtrans70.64.1-176.700000114.5L358 P359L358-G361 PolarHBondContact O-N 3.01Å; L358-G361 VanDerWaalsContact O-N 3.09Å; P359-G361 PolarHBondContact O-N 3.41Å
362H86.2Confident89Confident131 Ų13123.2 Ų23.261%0.60614%0.141SC*.SBendtrans-111.6-21.5-177.3-66.9-43.5000112.9D360 I378D360-H362 PolarHBondContact O-N 3.41Å; D360-H362 PolarHBondContact OD1-N 3.07Å; H362-I378 VanDerWaalsContact O-CB 3.27Å; H362-I378 WeakPolarHBondContact O-CB 3.49Å; H362-I378 VanDerWaalsContact O-CG1 3.3Å; H362-I378 WeakPolarHBondContact O-CG1 3.37Å; H362-I378 PolarHBondContact O-N 3.09Å
363N91Very high88.9Confident36 Ų3623.2 Ų23.219%0.19314%0.141CC..EExtended strand (participates in β ladder)trans-121.7156.2-178.1-61.5-46.5000111.3L358 D360 I375 W376 S377L358-N363 HydrophobicContact CB-CB 4.28Å; L358-N363 WeakPolarHBondContact CB-O 3.18Å; L358-N363 HydrophobicContact CD1-CB 3.42Å; L358-N363 VanDerWaalsContact CD1-CB 3.42Å; L358-N363 HydrophobicContact CG-CB 4.42Å; L358-N363 PolarHBondContact N-O 2.95Å; D360-N363 PolarHBondContact OD1-N 3.38Å; D360-N363 PolarHBondContact OD2-ND2 3.08Å; N363-I375 HydrophobicContact CB-CG2 4Å; N363-W376 CarbonylContact C-O 3.5Å; N363-W376 WeakPolarHBondContact CA-O 3.39Å; N363-S377 WeakPolarHBondContact OD1-CA 3.43Å
364I92.8Very high88.9Confident0 Ų023.6 Ų23.60%014%0.139CC..EExtended strand (participates in β ladder)trans-121.7150.9171.157.7166000109L323 I331 F345 A356 F357 I375 W376 I378L323-I364 HydrophobicContact CD1-CD1 3.91Å; L323-I364 HydrophobicContact CD1-CG2 4.24Å; L323-I364 HydrophobicContact CD2-CB 4.13Å; L323-I364 HydrophobicContact CD2-CG2 3.81Å; I331-I364 HydrophobicContact CG2-CD1 4.02Å; F345-I364 HydrophobicContact CD1-CD1 4.42Å; F345-I364 HydrophobicContact CD2-CD1 3.71Å; F345-I364 HydrophobicContact CE1-CD1 4.23Å; F345-I364 HydrophobicContact CE2-CD1 3.53Å; F345-I364 HydrophobicContact CG-CD1 4.17Å; F345-I364 HydrophobicContact CZ-CD1 3.8Å; F345-I364 HydrophobicContact CZ-CG1 4.47Å; A356-I364 CarbonylContact O-C 3.57Å; A356-I364 WeakPolarHBondContact O-CA 3.29Å; F357-I364 HydrophobicContact CD1-CG2 3.62Å; F357-I364 HydrophobicContact CE1-CG2 3.79Å; F357-I364 HydrophobicContact CG-CG2 4.43Å; I364-I375 CarbonylContact O-C 3.6Å; I364-I375 VanDerWaalsContact O-CA 3.27Å; I364-I375 WeakPolarHBondContact O-CA 3.44Å; I364-W376 HydrophobicContact CD1-CB 3.88Å; I364-W376 HydrophobicContact CD1-CG 4.01Å; I364-W376 HydrophobicContact CG1-CB 3.52Å; I364-W376 HydrophobicContact CG1-CG 3.95Å; I364-W376 PolarHBondContact N-O 3.02Å; I364-W376 PolarHBondContact O-N 3.33Å; I364-I378 HydrophobicContact CG2-CD1 3.96Å; I364-I378 HydrophobicContact CG2-CG1 3.89Å
365I92.1Very high89Confident0 Ų023.1 Ų23.10%014%0.135CC..EExtended strand (participates in β ladder)trans-116.4141.5172.7-167167000109.1V355 A356 L358 V373 R374 I375 V403 L405 F413V355-I365 CarbonylContact C-O 3.6Å; V355-I365 WeakPolarHBondContact CA-O 3.45Å; A356-I365 HydrophobicContact CB-CG2 3.79Å; A356-I365 PolarHBondContact N-O 2.95Å; A356-I365 PolarHBondContact O-N 2.84Å; L358-I365 HydrophobicContact CG-CB 4.45Å; I365-V373 HydrophobicContact CD1-CG1 3.71Å; I365-V373 HydrophobicContact CG1-CG1 3.56Å; I365-R374 CarbonylContact C-O 3.59Å; I365-R374 WeakPolarHBondContact CA-O 3.14Å; I365-I375 HydrophobicContact CD1-CG1 4.42Å; I365-I375 HydrophobicContact CG1-CG1 4.25Å; I365-V403 HydrophobicContact CD1-CG1 3.81Å; I365-V403 HydrophobicContact CG1-CG1 4.08Å; I365-V403 HydrophobicContact CG2-CG1 4.08Å; I365-L405 HydrophobicContact CG2-CD2 4.23Å; I365-F413 HydrophobicContact CD1-CB 4.36Å; I365-F413 HydrophobicContact CD1-CD1 3.85Å; I365-F413 HydrophobicContact CD1-CD2 3.75Å; I365-F413 HydrophobicContact CD1-CE1 3.98Å; I365-F413 HydrophobicContact CD1-CE2 3.89Å; I365-F413 HydrophobicContact CD1-CG 3.73Å; I365-F413 HydrophobicContact CD1-CZ 4.01Å
366S92.6Very high89Confident0 Ų022.9 Ų22.90%013%0.133CC..EExtended strand (participates in β ladder)trans-136.4142.2177.959.70000111.6I331 H348 S354 V373 R374 W376I331-S366 WeakPolarHBondContact CD1-OG 3.49Å; H348-S366 PolarHBondContact NE2-OG 3.01Å; S354-S366 CarbonylContact O-C 3.5Å; S354-S366 VanDerWaalsContact O-CA 3.31Å; S354-S366 WeakPolarHBondContact O-CA 3.13Å; S366-V373 CarbonylContact O-C 3.59Å; S366-V373 VanDerWaalsContact O-CA 3.22Å; S366-V373 WeakPolarHBondContact O-CA 3.4Å; S366-V373 WeakPolarHBondContact O-CG1 3.29Å; S366-R374 PolarHBondContact N-O 2.78Å; S366-R374 PolarHBondContact O-N 3.16Å; S366-R374 PolarHBondContact OG-O 2.91Å; S366-W376 PolarHBondContact OG-NE1 3.01Å
367G90.5Very high89Confident0 Ų023.5 Ų23.50%014%0.137CC..EExtended strand (participates in β ladder)trans-115.7132.3172.800000110.6N353 S354N353-G367 PolarHBondContact N-O 3.33Å; S354-G367 PolarHBondContact N-O 3.39Å; S354-G367 PolarHBondContact O-N 3.2Å
368S91.6Very high89Confident0 Ų024.4 Ų24.40%014%0.143CC..EExtended strand (participates in β ladder)trans-123.6158.4-176.4175.50000113H348 G350 V351 D370 G371 S372 I400H348-S368 VanDerWaalsContact CE1-CB 3.44Å; H348-S368 WeakPolarHBondContact CE1-CB 3.31Å; H348-S368 WeakPolarHBondContact ND1-CB 3.35Å; G350-S368 PolarHBondContact O-OG 3.38Å; V351-S368 CarbonylContact O-C 3.51Å; V351-S368 VanDerWaalsContact O-CA 3.23Å; V351-S368 WeakPolarHBondContact O-CA 3.35Å; V351-S368 WeakPolarHBondContact O-CB 3.35Å; V351-S368 PolarHBondContact O-OG 2.86Å; S368-D370 VanDerWaalsContact CB-OD1 3.28Å; S368-D370 WeakPolarHBondContact CB-OD1 3.38Å; S368-D370 PolarHBondContact O-N 2.99Å; S368-D370 VanDerWaalsContact OG-CG 3.32Å; S368-D370 PolarHBondContact OG-N 3.48Å; S368-D370 PolarHBondContact OG-OD1 2.89Å; S368-G371 PolarHBondContact O-N 2.88Å; S368-G371 VanDerWaalsContact O-N 3.17Å; S368-S372 PolarHBondContact N-O 2.98Å; S368-I400 WeakPolarHBondContact O-CB 3.43Å; S368-I400 PolarHBondContact O-N 2.83Å
369A88.9Confident88.9Confident37 Ų3735.1 Ų35.131%0.30618%0.183SC..THydrogen-bonded Turntrans-62.9-13169.500000113.4V351 G371V351-A369 HydrophobicContact CB-CB 4.19Å; V351-A369 PolarHBondContact O-N 2.95Å; A369-G371 PolarHBondContact O-N 2.56Å
370D86.5Confident89.1Confident14 Ų1436 Ų368%0.07519%0.19CC..THydrogen-bonded Turntrans-72.61.4170.468.715.6000114.1H348 T349 S368 S372H348-D370 WeakPolarHBondContact CA-OD2 3.24Å; H348-D370 IonicContact CE1-OD2 3.88Å; H348-D370 IonicContact CG-OD2 2.77Å; H348-D370 IonicContact ND1-OD1 3.86Å; H348-D370 IonicContact ND1-OD2 3.44Å; H348-D370 PolarHBondContact ND1-OD2 2.78Å; T349-D370 PolarHBondContact N-OD2 3.17Å; T349-D370 VanDerWaalsContact N-OD2 3.09Å; T349-D370 VanDerWaalsContact OG1-CB 3.28Å; T349-D370 WeakPolarHBondContact OG1-CB 3.29Å; S368-D370 VanDerWaalsContact CB-OD1 3.28Å; S368-D370 WeakPolarHBondContact CB-OD1 3.38Å; S368-D370 PolarHBondContact O-N 2.99Å; S368-D370 VanDerWaalsContact OG-CG 3.32Å; S368-D370 PolarHBondContact OG-N 3.48Å; S368-D370 PolarHBondContact OG-OD1 2.89Å; D370-S372 VanDerWaalsContact CG-OG 3.23Å; D370-S372 PolarHBondContact O-N 3.3Å; D370-S372 WeakPolarHBondContact OD1-CA 3.43Å; D370-S372 VanDerWaalsContact OD1-CB 3.25Å; D370-S372 WeakPolarHBondContact OD1-CB 3.34Å; D370-S372 PolarHBondContact OD1-N 3.4Å; D370-S372 PolarHBondContact OD1-OG 3.47Å; D370-S372 PolarHBondContact OD2-OG 2.9Å
371G85Confident89.3Confident6 Ų633.6 Ų33.66%0.06218%0.182CC..SBendtrans76.66.9-179.900000114.4S368 A369 A389 V398S368-G371 PolarHBondContact O-N 2.88Å; S368-G371 VanDerWaalsContact O-N 3.17Å; A369-G371 PolarHBondContact O-N 2.56Å; G371-A389 PolarHBondContact O-N 2.82Å; G371-V398 VanDerWaalsContact CA-O 3.22Å; G371-V398 WeakPolarHBondContact CA-O 3.4Å
372S88.6Confident89.7Confident5 Ų537.9 Ų37.94%0.03519%0.191CC..EExtended strand (participates in β ladder)trans-104.3140.7176.1770000112.8H348 S368 D370 F387H348-S372 PolarHBondContact CE1-OG 3.29Å; H348-S372 VanDerWaalsContact CE1-OG 3.29Å; H348-S372 PolarHBondContact ND1-OG 3.33Å; S368-S372 PolarHBondContact N-O 2.98Å; D370-S372 VanDerWaalsContact CG-OG 3.23Å; D370-S372 PolarHBondContact O-N 3.3Å; D370-S372 WeakPolarHBondContact OD1-CA 3.43Å; D370-S372 VanDerWaalsContact OD1-CB 3.25Å; D370-S372 WeakPolarHBondContact OD1-CB 3.34Å; D370-S372 PolarHBondContact OD1-N 3.4Å; D370-S372 PolarHBondContact OD1-OG 3.47Å; D370-S372 PolarHBondContact OD2-OG 2.9Å; S372-F387 CarbonylContact C-O 3.49Å; S372-F387 VanDerWaalsContact CA-O 3.29Å; S372-F387 WeakPolarHBondContact CA-O 3.22Å
373V90.4Very high89.9Confident0 Ų033.5 Ų33.50%018%0.175CC..EExtended strand (participates in β ladder)trans-101.6127162-176.40000107.5I365 S366 F387 I400 V403 F413 V415I365-V373 HydrophobicContact CD1-CG1 3.71Å; I365-V373 HydrophobicContact CG1-CG1 3.56Å; S366-V373 CarbonylContact O-C 3.59Å; S366-V373 VanDerWaalsContact O-CA 3.22Å; S366-V373 WeakPolarHBondContact O-CA 3.4Å; S366-V373 WeakPolarHBondContact O-CG1 3.29Å; V373-F387 HydrophobicContact CB-CB 4.36Å; V373-F387 HydrophobicContact CB-CD2 4.26Å; V373-F387 HydrophobicContact CG1-CD2 4.31Å; V373-F387 PolarHBondContact N-O 3.17Å; V373-F387 PolarHBondContact O-N 3.32Å; V373-I400 HydrophobicContact CB-CD1 4.44Å; V373-I400 HydrophobicContact CG2-CD1 3.29Å; V373-V403 HydrophobicContact CG2-CG2 4.41Å; V373-F413 HydrophobicContact CG1-CE2 4.06Å; V373-F413 HydrophobicContact CG1-CZ 4.48Å; V373-V415 HydrophobicContact CG2-CG1 4.03Å; V373-V415 HydrophobicContact CG2-CG2 4Å
374R91.5Very high89.8Confident51 Ų5135.1 Ų35.119%0.19219%0.186CC..EExtended strand (participates in β ladder)trans-117142.5178.6-70.1-179.6179.5-125.87.2110.8G347 H348 I365 S366 W376 N385 T386G347-R374 VanDerWaalsContact O-CZ 3.26Å; G347-R374 PolarHBondContact O-NH2 3.14Å; H348-R374 VanDerWaalsContact CE1-CD 3.49Å; H348-R374 WeakPolarHBondContact CE1-CD 3.45Å; I365-R374 CarbonylContact C-O 3.59Å; I365-R374 WeakPolarHBondContact CA-O 3.14Å; S366-R374 PolarHBondContact N-O 2.78Å; S366-R374 PolarHBondContact O-N 3.16Å; S366-R374 PolarHBondContact OG-O 2.91Å; R374-W376 HydrophobicContact CB-CZ2 3.91Å; R374-W376 VanDerWaalsContact CD-CZ2 3.43Å; R374-W376 HydrophobicContact CG-CZ2 4.33Å; R374-N385 WeakPolarHBondContact CA-O 3.28Å; R374-T386 HydrophobicContact CG-CG2 4Å
375I92.3Very high89.5Confident5 Ų538.4 Ų38.43%0.02620%0.203CC..EExtended strand (participates in β ladder)trans-105.4133.3167.3-59.8172.9000107.5L358 N363 I364 I365 C383 T384 N385 F387 M427L358-I375 HydrophobicContact CD1-CG2 3.85Å; N363-I375 HydrophobicContact CB-CG2 4Å; I364-I375 CarbonylContact O-C 3.6Å; I364-I375 VanDerWaalsContact O-CA 3.27Å; I364-I375 WeakPolarHBondContact O-CA 3.44Å; I365-I375 HydrophobicContact CD1-CG1 4.42Å; I365-I375 HydrophobicContact CG1-CG1 4.25Å; I375-C383 CarbonylContact O-C 3.5Å; I375-C383 WeakPolarHBondContact O-CA 3.19Å; I375-T384 WeakPolarHBondContact CG2-OG1 3.22Å; I375-T384 PolarHBondContact O-N 3.29Å; I375-T384 PolarHBondContact O-OG1 2.91Å; I375-T384 VanDerWaalsContact O-OG1 3.13Å; I375-N385 HydrophobicContact CB-CB 4.32Å; I375-N385 HydrophobicContact CD1-CB 4.28Å; I375-N385 PolarHBondContact N-O 2.81Å; I375-N385 PolarHBondContact O-N 2.84Å; I375-F387 HydrophobicContact CD1-CE2 3.48Å; I375-F387 VanDerWaalsContact CD1-CE2 3.48Å; I375-F387 HydrophobicContact CD1-CZ 3.78Å; I375-F387 HydrophobicContact CG1-CE2 3.88Å; I375-M427 HydrophobicContact CD1-CE 3.43Å; I375-M427 VanDerWaalsContact CD1-CE 3.43Å; I375-M427 HydrophobicContact CD1-SD 4.35Å; I375-M427 HydrophobicContact CG1-CE 4.4Å
376W92.6Very high89.4Confident6 Ų641.6 Ų41.62%0.02322%0.223CC..EExtended strand (participates in β ladder)trans-122.1140.8179.2-42.775.7000110.7I331 F345 T346 H348 N363 I364 S366 R374 E382 C383I331-W376 HydrophobicContact CD1-CZ2 4.38Å; F345-W376 HydrophobicContact CB-CD2 3.96Å; F345-W376 HydrophobicContact CB-CE3 3.8Å; F345-W376 HydrophobicContact CB-CH2 4.4Å; F345-W376 HydrophobicContact CB-CZ3 4.02Å; F345-W376 HydrophobicContact CD1-CB 3.66Å; F345-W376 AromaticContact CD1-CD2 3.96Å; F345-W376 HydrophobicContact CD1-CD2 3.96Å; F345-W376 AromaticContact CD1-CE3 3.71Å; F345-W376 HydrophobicContact CD1-CE3 3.71Å; F345-W376 AromaticContact CD1-CG 3.98Å; F345-W376 HydrophobicContact CD1-CG 3.98Å; F345-W376 HydrophobicContact CE1-CB 3.72Å; F345-W376 HydrophobicContact CE1-CG 4.48Å; F345-W376 HydrophobicContact CG-CB 4.41Å; F345-W376 HydrophobicContact CG-CD2 4.23Å; F345-W376 HydrophobicContact CG-CE3 4.18Å; F345-W376 HydrophobicContact CG-CG 4.35Å; T346-W376 WeakPolarHBondContact O-CH2 3.5Å; H348-W376 AromaticContact CD2-CZ2 3.93Å; N363-W376 CarbonylContact C-O 3.5Å; N363-W376 WeakPolarHBondContact CA-O 3.39Å; I364-W376 HydrophobicContact CD1-CB 3.88Å; I364-W376 HydrophobicContact CD1-CG 4.01Å; I364-W376 HydrophobicContact CG1-CB 3.52Å; I364-W376 HydrophobicContact CG1-CG 3.95Å; I364-W376 PolarHBondContact N-O 3.02Å; I364-W376 PolarHBondContact O-N 3.33Å; S366-W376 PolarHBondContact OG-NE1 3.01Å; R374-W376 HydrophobicContact CB-CZ2 3.91Å; R374-W376 VanDerWaalsContact CD-CZ2 3.43Å; R374-W376 HydrophobicContact CG-CZ2 4.33Å; W376-E382 WeakPolarHBondContact CA-O 3.37Å; W376-C383 HydrophobicContact CD2-CB 4.26Å; W376-C383 HydrophobicContact CE3-CB 3.67Å; W376-C383 HydrophobicContact CH2-CB 4.19Å; W376-C383 HydrophobicContact CZ3-CB 3.65Å
377S92.1Very high89Confident21 Ų2142.5 Ų42.515%0.14723%0.227CC..EExtended strand (participates in β ladder)trans-84.5123.7171.6-177.90000110.2N363 R379 S380 G381 E382N363-S377 WeakPolarHBondContact OD1-CA 3.43Å; S377-R379 PolarHBondContact O-N 2.49Å; S377-R379 PolarHBondContact OG-N 3.34Å; S377-S380 WeakPolarHBondContact CB-OG 3.17Å; S377-G381 WeakPolarHBondContact O-CA 3.36Å; S377-G381 PolarHBondContact O-N 3.01Å; S377-E382 PolarHBondContact N-O 2.91Å
378I89.8Confident88.5Confident38 Ų3849.1 Ų49.120%0.19526%0.256CS..THydrogen-bonded Turntrans-62.2-31.1175.8-60168.5000110I333 K343 F357 H362 I364I333-I378 HydrophobicContact CD1-CG1 4.1Å; I333-I378 HydrophobicContact CD1-CG2 3.98Å; K343-I378 WeakPolarHBondContact CD-O 3.41Å; K343-I378 WeakPolarHBondContact CE-O 2.98Å; K343-I378 PolarHBondContact NZ-O 2.85Å; F357-I378 HydrophobicContact CD1-CD1 3.96Å; F357-I378 HydrophobicContact CE1-CD1 3.83Å; H362-I378 VanDerWaalsContact O-CB 3.27Å; H362-I378 WeakPolarHBondContact O-CB 3.49Å; H362-I378 VanDerWaalsContact O-CG1 3.3Å; H362-I378 WeakPolarHBondContact O-CG1 3.37Å; H362-I378 PolarHBondContact O-N 3.09Å; I364-I378 HydrophobicContact CG2-CD1 3.96Å; I364-I378 HydrophobicContact CG2-CG1 3.89Å
379R87Confident87.1Confident227 Ų22750.2 Ų50.286%0.85727%0.265SS*.THydrogen-bonded Turntrans-77.1-46.4-177.9-174.7176.8178.8170.2-0.4113.3K343 S377K343-R379 PolarHBondContact NZ-O 3.22Å; S377-R379 PolarHBondContact O-N 2.49Å; S377-R379 PolarHBondContact OG-N 3.34Å
380S87.8Confident85.5Confident62 Ų6254.7 Ų54.743%0.43428%0.283SS..THydrogen-bonded Turntrans-82.4-30.3179.463.90000112.6S377 E382S377-S380 WeakPolarHBondContact CB-OG 3.17Å; S380-E382 WeakPolarHBondContact OG-CB 3.29Å; S380-E382 PolarHBondContact OG-N 2.83Å; S380-E382 VanDerWaalsContact OG-N 3.13Å
381G85.5Confident83.8Confident23 Ų2356.4 Ų56.424%0.23730%0.296CS..  trans82.61.8-167.800000113.1F345 S377F345-G381 WeakPolarHBondContact CD1-O 3.49Å; S377-G381 WeakPolarHBondContact O-CA 3.36Å; S377-G381 PolarHBondContact O-N 3.01Å
382E89.4Confident81.8Confident134 Ų13459.4 Ų59.463%0.62633%0.327SS*.SBendtrans-98.9153.3-173.9-60.6175.6157.900111.7W376 S377 S380 T384W376-E382 WeakPolarHBondContact CA-O 3.37Å; S377-E382 PolarHBondContact N-O 2.91Å; S380-E382 WeakPolarHBondContact OG-CB 3.29Å; S380-E382 PolarHBondContact OG-N 2.83Å; S380-E382 VanDerWaalsContact OG-N 3.13Å; E382-T384 PolarHBondContact O-N 3.44Å
383C89.6Confident79.4Confident39 Ų3966.7 Ų66.726%0.26436%0.364SS..EExtended strand (participates in β ladder)trans-73.7115.8171.5-173.80000108.7I375 W376 N385 T386I375-C383 CarbonylContact O-C 3.5Å; I375-C383 WeakPolarHBondContact O-CA 3.19Å; W376-C383 HydrophobicContact CD2-CB 4.26Å; W376-C383 HydrophobicContact CE3-CB 3.67Å; W376-C383 HydrophobicContact CH2-CB 4.19Å; W376-C383 HydrophobicContact CZ3-CB 3.65Å; C383-N385 PolarHBondContact SG-O 2.9Å; C383-N385 VanDerWaalsContact SG-O 3.41Å; C383-T386 PolarHBondContact SG-OG1 2.9Å; C383-T386 VanDerWaalsContact SG-OG1 3.41Å
384T89.4Confident76.7Confident70 Ų7071.6 Ų71.643%0.42939%0.394SS..EExtended strand (participates in β ladder)trans-80.1-49.7177.952.60000110.8I375 E382I375-T384 WeakPolarHBondContact CG2-OG1 3.22Å; I375-T384 PolarHBondContact O-N 3.29Å; I375-T384 PolarHBondContact O-OG1 2.91Å; I375-T384 VanDerWaalsContact O-OG1 3.13Å; E382-T384 PolarHBondContact O-N 3.44Å
385N87Confident74.2Confident68 Ų6873.3 Ų73.336%0.36443%0.427SS..EExtended strand (participates in β ladder)trans-131.9142.4-178-68.9-11.1000110.8R374 I375 C383 F387 M427R374-N385 WeakPolarHBondContact CA-O 3.28Å; I375-N385 HydrophobicContact CB-CB 4.32Å; I375-N385 HydrophobicContact CD1-CB 4.28Å; I375-N385 PolarHBondContact N-O 2.81Å; I375-N385 PolarHBondContact O-N 2.84Å; C383-N385 PolarHBondContact SG-O 2.9Å; C383-N385 VanDerWaalsContact SG-O 3.41Å; N385-F387 HydrophobicContact CB-CE1 3.85Å; N385-F387 HydrophobicContact CB-CE2 4.19Å; N385-F387 HydrophobicContact CB-CZ 3.56Å; N385-M427 PolarHBondContact ND2-O 3.27Å
386T88.9Confident72.2Confident67 Ų6780 Ų8041%0.41146%0.458SS..EExtended strand (participates in β ladder)trans-121.9126.1169.5-55.80000108.7R374 C383R374-T386 HydrophobicContact CG-CG2 4Å; C383-T386 PolarHBondContact SG-OG1 2.9Å; C383-T386 VanDerWaalsContact SG-OG1 3.41Å
387F85.2Confident70.8Confident19 Ų1985.8 Ų85.88%0.08349%0.486CS..EExtended strand (participates in β ladder)trans-113.6130175.3-46.4-58.4000108.9S372 V373 I375 N385 F413 M427 Q428 G429S372-F387 CarbonylContact C-O 3.49Å; S372-F387 VanDerWaalsContact CA-O 3.29Å; S372-F387 WeakPolarHBondContact CA-O 3.22Å; V373-F387 HydrophobicContact CB-CB 4.36Å; V373-F387 HydrophobicContact CB-CD2 4.26Å; V373-F387 HydrophobicContact CG1-CD2 4.31Å; V373-F387 PolarHBondContact N-O 3.17Å; V373-F387 PolarHBondContact O-N 3.32Å; I375-F387 HydrophobicContact CD1-CE2 3.48Å; I375-F387 VanDerWaalsContact CD1-CE2 3.48Å; I375-F387 HydrophobicContact CD1-CZ 3.78Å; I375-F387 HydrophobicContact CG1-CE2 3.88Å; N385-F387 HydrophobicContact CB-CE1 3.85Å; N385-F387 HydrophobicContact CB-CE2 4.19Å; N385-F387 HydrophobicContact CB-CZ 3.56Å; F387-F413 AromaticContact CD2-CZ 3.86Å; F387-F413 HydrophobicContact CD2-CZ 3.86Å; F387-F413 HydrophobicContact CE2-CE1 4.26Å; F387-F413 AromaticContact CE2-CZ 3.92Å; F387-F413 HydrophobicContact CE2-CZ 3.92Å; F387-M427 WeakPolarHBondContact CZ-O 3.29Å; F387-Q428 VanDerWaalsContact CE1-C 3.43Å; F387-G429 VanDerWaalsContact CE1-N 3.27Å
388K78.6Confident69.9Low139 Ų13986.4 Ų86.460%0.60449%0.488SS*.EExtended strand (participates in β ladder)trans-95.7120.5168.4-69.5-162.6171.1-153.20108.1I390 E397K388-I390 PolarHBondContact O-N 2.97Å; K388-E397 IonicContact NZ-OE1 3.47Å; K388-E397 PolarHBondContact NZ-OE1 3.23Å
389A63Low69.4Low24 Ų2485.8 Ų85.820%0.19849%0.487CS..  trans-67122.3174.100000108.6G371 S391 I400 M425G371-A389 PolarHBondContact O-N 2.82Å; A389-S391 PolarHBondContact O-N 2.76Å; A389-I400 HydrophobicContact CB-CD1 4.34Å; A389-M425 HydrophobicContact CB-CE 4.02Å
390I55Low69.2Low131 Ų13175 Ų7567%0.67245%0.446SS*.  trans-69.8107-173.6-57.1174000109K388 G392 I431K388-I390 PolarHBondContact O-N 2.97Å; I390-G392 PolarHBondContact O-N 2.82Å; I390-I431 HydrophobicContact CB-CD1 4.41Å; I390-I431 HydrophobicContact CD1-CD1 4.05Å; I390-I431 HydrophobicContact CG1-CD1 4.33Å
391S50.5Low68.9Low50 Ų5074 Ų7435%0.3544%0.435SS..  trans-70.3101.6159.9-178.90000108A389 L393 V394A389-S391 PolarHBondContact O-N 2.76Å; S391-L393 VanDerWaalsContact C-N 3.27Å; S391-L393 PolarHBondContact O-N 3.26Å; S391-V394 PolarHBondContact OG-O 2.85Å
392G43.9Very low68.8Low69 Ų6973.3 Ų73.371%0.71143%0.426SS*.SBendtrans-77.6-4.7-179.800000114.8I390I390-G392 PolarHBondContact O-N 2.82Å
393L39Very low68.6Low158 Ų15867.1 Ų67.183%0.82740%0.398SS*.SBendtrans-138.6-14.2-163.6-89.2153.2000117.8S391S391-L393 VanDerWaalsContact C-N 3.27Å; S391-L393 PolarHBondContact O-N 3.26Å
394V32.9Very low68.4Low102 Ų10267.8 Ų67.862%0.61840%0.397SS*.SBendtrans-152.8135.2171.9-1670000108.4S391 H396S391-V394 PolarHBondContact OG-O 2.85Å; V394-H396 PolarHBondContact O-N 2.94Å
395G39Very low68.2Low87 Ų8766.3 Ų66.390%0.89739%0.386SS*.SBendtrans-64.331.2-175.600000117.1
396H51.3Low68Low147 Ų14763.8 Ų63.868%0.68137%0.372SS*.SBendtrans-110.4136.4172.1-71.9-72.3000110.1V394 V398V394-H396 PolarHBondContact O-N 2.94Å; H396-V398 PolarHBondContact O-N 2.94Å
397E63.1Low67.5Low127 Ų12764 Ų6459%0.59338%0.375SS*.PPolyproline II helixtrans-62.9122.8172.2-65.1-175.7144.600108.7K388K388-E397 IonicContact NZ-OE1 3.47Å; K388-E397 PolarHBondContact NZ-OE1 3.23Å
398V72.5Confident66.9Low33 Ų3370.6 Ų70.620%0.240%0.399CS..PPolyproline II helixtrans-91.1123.7-174.9-176.70000109.1G371 H396 I400 R418G371-V398 VanDerWaalsContact CA-O 3.22Å; G371-V398 WeakPolarHBondContact CA-O 3.4Å; H396-V398 PolarHBondContact O-N 2.94Å; V398-I400 PolarHBondContact O-N 2.78Å; V398-R418 HydrophobicContact CG1-CB 4.16Å; V398-R418 VanDerWaalsContact CG1-O 3.27Å; V398-R418 WeakPolarHBondContact CG1-O 3.41Å
399S79.8Confident66.9Low25 Ų2566.6 Ų66.618%0.17539%0.385CS..PPolyproline II helixtrans-62.3133.1-178.859.60000112S417 R418S399-S417 CarbonylContact O-C 3.58Å; S399-R418 WeakPolarHBondContact O-CB 3.4Å; S399-R418 PolarHBondContact O-N 2.88Å; S399-R418 WeakPolarHBondContact OG-CB 3.35Å; S399-R418 WeakPolarHBondContact OG-CD 3.42Å
400I81.9Confident67.6Low0 Ų068.9 Ų68.90%040%0.396CS..EExtended strand (participates in β ladder)trans-88.3126.2177.4-57.8-178.9000109.3N353 S368 V373 A389 V398 V403 V415N353-I400 WeakPolarHBondContact CB-O 3.48Å; N353-I400 PolarHBondContact ND2-O 2.83Å; S368-I400 WeakPolarHBondContact O-CB 3.43Å; S368-I400 PolarHBondContact O-N 2.83Å; V373-I400 HydrophobicContact CB-CD1 4.44Å; V373-I400 HydrophobicContact CG2-CD1 3.29Å; A389-I400 HydrophobicContact CB-CD1 4.34Å; V398-I400 PolarHBondContact O-N 2.78Å; I400-V403 HydrophobicContact CG2-CG2 4.03Å; I400-V415 HydrophobicContact CD1-CG1 4.04Å; I400-V415 HydrophobicContact CG1-CG1 4.32Å; I400-V415 HydrophobicContact CG2-CG1 3.74Å
401H82.3Confident69Low42 Ų4267.4 Ų67.419%0.19439%0.39CS..EExtended strand (participates in β ladder)trans-87.7-52.6178.9-71.1115.3000111.7N353 A416 R418 F445N353-H401 VanDerWaalsContact CB-O 3.22Å; N353-H401 WeakPolarHBondContact CB-O 3.45Å; H401-A416 PolarHBondContact N-O 2.91Å; H401-R418 VanDerWaalsContact CE1-CA 3.48Å; H401-R418 WeakPolarHBondContact CE1-CA 3.32Å; H401-R418 WeakPolarHBondContact CE1-CB 3.41Å; H401-R418 VanDerWaalsContact CE1-CG 3.46Å; H401-R418 WeakPolarHBondContact CE1-CG 3.4Å; H401-R418 PolarHBondContact ND1-N 2.97Å; H401-F445 PolarHBondContact CE1-O 3.39Å; H401-F445 PolarHBondContact ND1-O 3.07Å
402S83.9Confident70.8Confident8 Ų866.7 Ų66.76%0.05638%0.381CS..EExtended strand (participates in β ladder)trans-143.1146.2-17362.60000113A416 C448S402-A416 PolarHBondContact N-O 3.37Å; S402-A416 PolarHBondContact O-N 2.9Å; S402-C448 PolarHBondContact OG-SG 3.29Å
403V84.2Confident72.9Confident4 Ų463.4 Ų63.42%0.02435%0.347CS..EExtended strand (participates in β ladder)trans-125.5121176-178.80000108.1S354 I365 V373 I400 F413 V414S354-V403 PolarHBondContact OG-N 3.44Å; S354-V403 VanDerWaalsContact OG-N 3.14Å; I365-V403 HydrophobicContact CD1-CG1 3.81Å; I365-V403 HydrophobicContact CG1-CG1 4.08Å; I365-V403 HydrophobicContact CG2-CG1 4.08Å; V373-V403 HydrophobicContact CG2-CG2 4.41Å; I400-V403 HydrophobicContact CG2-CG2 4.03Å; V403-F413 HydrophobicContact CG1-CB 4.5Å; V403-F413 HydrophobicContact CG1-CD2 4.07Å; V403-V414 WeakPolarHBondContact CA-O 3.42Å
404H85.7Confident75.2Confident54 Ų5455.9 Ų55.925%0.2531%0.307CS..EExtended strand (participates in β ladder)trans-122.2129.9-176.8-70.796.4000111F413 V414 C448 L450H404-F413 CarbonylContact O-C 3.59Å; H404-F413 WeakPolarHBondContact O-CA 3.47Å; H404-V414 HydrophobicContact CB-CB 4.47Å; H404-V414 PolarHBondContact N-O 2.92Å; H404-V414 PolarHBondContact O-N 2.77Å; H404-C448 PolarHBondContact CE1-O 2.82Å; H404-C448 PolarHBondContact ND1-SG 2.86Å; H404-L450 HydrophobicContact CB-CD1 3.7Å; H404-L450 HydrophobicContact CB-CG 4.13Å
405L85.9Confident77.8Confident38 Ų3851.1 Ų51.120%0.19928%0.279CS..EExtended strand (participates in β ladder)trans-79.8137.9175.7-61.7174.2000110.3A356 F357 L358 P359 I365 F413 L450A356-L405 HydrophobicContact CB-CD1 4.15Å; A356-L405 HydrophobicContact CB-CG 4.33Å; F357-L405 WeakPolarHBondContact O-CD1 3.45Å; L358-L405 HydrophobicContact CD2-CD1 4.25Å; L358-L405 HydrophobicContact CD2-CD2 3.54Å; P359-L405 HydrophobicContact CG-CD1 4.48Å; I365-L405 HydrophobicContact CG2-CD2 4.23Å; L405-F413 HydrophobicContact CD2-CB 3.96Å; L405-L450 WeakPolarHBondContact O-CD1 3.4Å
406M82.7Confident80Confident15 Ų1547 Ų477%0.07424%0.236CC..  trans-73.9126.3177.2-74-71-68.800110.1R408 N409 Q412 V414 L450 G454 V471M406-R408 VanDerWaalsContact C-N 3.35Å; M406-R408 PolarHBondContact O-N 2.92Å; M406-N409 WeakPolarHBondContact CB-O 3.12Å; M406-N409 CarbonylContact O-C 3.58Å; M406-Q412 HydrophobicContact CB-CB 4.45Å; M406-Q412 WeakPolarHBondContact CB-O 3.27Å; M406-Q412 HydrophobicContact CG-CB 4.2Å; M406-Q412 PolarHBondContact N-O 3.42Å; M406-V414 HydrophobicContact CG-CG2 4.09Å; M406-V414 HydrophobicContact SD-CG2 3.75Å; M406-L450 HydrophobicContact SD-CD1 3.91Å; M406-L450 HydrophobicContact SD-CD2 4.13Å; M406-G454 VanDerWaalsContact CE-O 3.28Å; M406-G454 WeakPolarHBondContact CE-O 3.35Å; M406-V471 HydrophobicContact CE-CG1 4.4Å
407P76.4Confident81.5Confident72 Ų7240.6 Ų40.647%0.46821%0.208SC..SBendtrans-68.1-31.8-17524.1-33.1000113.3
408R74.3Confident82.2Confident157 Ų15741.9 Ų41.959%0.59221%0.207SC*.SBendtrans-85.7-34179-77-176.8178-177.89114.1M406 R453 E455M406-R408 VanDerWaalsContact C-N 3.35Å; M406-R408 PolarHBondContact O-N 2.92Å; R408-R453 WeakPolarHBondContact CD-O 3.47Å; R408-R453 VanDerWaalsContact CG-O 3.32Å; R408-R453 WeakPolarHBondContact CG-O 3.46Å; R408-R453 PolarHBondContact NE-O 2.92Å; R408-E455 IonicContact CZ-OE1 3.35Å; R408-E455 IonicContact NH1-OE1 3.17Å; R408-E455 PolarHBondContact NH1-OE1 2.7Å; R408-E455 IonicContact NH2-OE1 2.66Å; R408-E455 PolarHBondContact NH2-OE1 2.76Å
409N78Confident82.7Confident56 Ų5641 Ų4130%0.29920%0.203SC..  trans-121.9101.6-175.6-170.4-10.1000109.3M406 D411 Q412M406-N409 WeakPolarHBondContact CB-O 3.12Å; M406-N409 CarbonylContact O-C 3.58Å; N409-D411 PolarHBondContact O-N 2.75Å; N409-D411 VanDerWaalsContact O-N 3.16Å; N409-D411 PolarHBondContact OD1-N 3.05Å; N409-D411 VanDerWaalsContact OD1-N 3.1Å; N409-Q412 VanDerWaalsContact ND2-CD 3.33Å; N409-Q412 PolarHBondContact ND2-NE2 2.95Å; N409-Q412 PolarHBondContact O-N 2.82Å
410T78.3Confident82.8Confident71 Ų7141.4 Ų41.444%0.43620%0.203SC..THydrogen-bonded Turntrans-65.6-16.1-178.152.40000113.5P359 Q412P359-T410 HydrophobicContact CB-CG2 3.69Å; P359-T410 HydrophobicContact CG-CG2 3.69Å; T410-Q412 VanDerWaalsContact C-N 3.33Å
411D83.8Confident82.9Confident101 Ų10143.8 Ų43.854%0.5422%0.218SC..THydrogen-bonded Turntrans-92.32.2-176.6-58.4-13000112.6N409 N426 M427N409-D411 PolarHBondContact O-N 2.75Å; N409-D411 VanDerWaalsContact O-N 3.16Å; N409-D411 PolarHBondContact OD1-N 3.05Å; N409-D411 VanDerWaalsContact OD1-N 3.1Å; D411-N426 CarbonylContact O-C 3.5Å; D411-N426 VanDerWaalsContact O-CA 3.29Å; D411-N426 WeakPolarHBondContact O-CA 3.01Å; D411-M427 WeakPolarHBondContact O-CG 3.4Å; D411-M427 PolarHBondContact O-N 3.29Å
412Q87.8Confident83Confident34 Ų3441.8 Ų41.816%0.15921%0.209CC..EExtended strand (participates in β ladder)trans-126.3144.2-179.7-66.3-177.68.800111.9M406 N409 T410 I424 M425M406-Q412 HydrophobicContact CB-CB 4.45Å; M406-Q412 WeakPolarHBondContact CB-O 3.27Å; M406-Q412 HydrophobicContact CG-CB 4.2Å; M406-Q412 PolarHBondContact N-O 3.42Å; N409-Q412 VanDerWaalsContact ND2-CD 3.33Å; N409-Q412 PolarHBondContact ND2-NE2 2.95Å; N409-Q412 PolarHBondContact O-N 2.82Å; T410-Q412 VanDerWaalsContact C-N 3.33Å; Q412-I424 HydrophobicContact CB-CG2 3.98Å; Q412-I424 HydrophobicContact CG-CG2 4.41Å; Q412-M425 VanDerWaalsContact CA-O 3.32Å; Q412-M425 WeakPolarHBondContact CA-O 3.26Å
413F88.6Confident83.2Confident0 Ų042.2 Ų42.20%021%0.212CC..EExtended strand (participates in β ladder)trans-136.4150.3174.760.4-89.7000110.5I365 V373 F387 V403 H404 L405 V415 I424 M425 N426 M427I365-F413 HydrophobicContact CD1-CB 4.36Å; I365-F413 HydrophobicContact CD1-CD1 3.85Å; I365-F413 HydrophobicContact CD1-CD2 3.75Å; I365-F413 HydrophobicContact CD1-CE1 3.98Å; I365-F413 HydrophobicContact CD1-CE2 3.89Å; I365-F413 HydrophobicContact CD1-CG 3.73Å; I365-F413 HydrophobicContact CD1-CZ 4.01Å; V373-F413 HydrophobicContact CG1-CE2 4.06Å; V373-F413 HydrophobicContact CG1-CZ 4.48Å; F387-F413 AromaticContact CD2-CZ 3.86Å; F387-F413 HydrophobicContact CD2-CZ 3.86Å; F387-F413 HydrophobicContact CE2-CE1 4.26Å; F387-F413 AromaticContact CE2-CZ 3.92Å; F387-F413 HydrophobicContact CE2-CZ 3.92Å; V403-F413 HydrophobicContact CG1-CB 4.5Å; V403-F413 HydrophobicContact CG1-CD2 4.07Å; H404-F413 CarbonylContact O-C 3.59Å; H404-F413 WeakPolarHBondContact O-CA 3.47Å; L405-F413 HydrophobicContact CD2-CB 3.96Å; F413-V415 HydrophobicContact CD2-CG2 3.49Å; F413-V415 VanDerWaalsContact CD2-CG2 3.49Å; F413-V415 HydrophobicContact CE2-CG2 3.4Å; F413-I424 CarbonylContact O-C 3.58Å; F413-I424 WeakPolarHBondContact O-CA 3.41Å; F413-M425 HydrophobicContact CD2-CB 4.23Å; F413-M425 HydrophobicContact CE1-CB 4.1Å; F413-M425 HydrophobicContact CE2-CB 3.65Å; F413-M425 HydrophobicContact CE2-CG 4.37Å; F413-M425 HydrophobicContact CE2-SD 4.1Å; F413-M425 HydrophobicContact CZ-CB 3.57Å; F413-M425 HydrophobicContact CZ-SD 4.35Å; F413-M425 PolarHBondContact N-O 3.06Å; F413-M425 PolarHBondContact O-N 3.07Å; F413-N426 WeakPolarHBondContact CE1-O 3.25Å; F413-M427 HydrophobicContact CD1-SD 3.73Å; F413-M427 HydrophobicContact CE1-SD 3.96Å
414V87.1Confident83.3Confident0 Ų042 Ų420%021%0.211CC..EExtended strand (participates in β ladder)trans-100.7128.8178.6-175.90000108.4V403 H404 M406 V422 A423 I424 L450 I457V403-V414 WeakPolarHBondContact CA-O 3.42Å; H404-V414 HydrophobicContact CB-CB 4.47Å; H404-V414 PolarHBondContact N-O 2.92Å; H404-V414 PolarHBondContact O-N 2.77Å; M406-V414 HydrophobicContact CG-CG2 4.09Å; M406-V414 HydrophobicContact SD-CG2 3.75Å; V414-V422 HydrophobicContact CG1-CG1 3.35Å; V414-A423 CarbonylContact C-O 3.51Å; V414-A423 WeakPolarHBondContact CA-O 3.4Å; V414-I424 HydrophobicContact CG2-CD1 4.5Å; V414-I424 HydrophobicContact CG2-CG1 4.11Å; V414-L450 HydrophobicContact CG2-CD1 4.27Å; V414-L450 HydrophobicContact CG2-CD2 4.03Å; V414-I457 HydrophobicContact CG1-CD1 4.31Å; V414-I457 HydrophobicContact CG2-CD1 4.39Å
415V86.7Confident83.4Confident2 Ų239.7 Ų39.71%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-113.6120177.4-175.50000108V373 I400 F413 A423 M425V373-V415 HydrophobicContact CG2-CG1 4.03Å; V373-V415 HydrophobicContact CG2-CG2 4Å; I400-V415 HydrophobicContact CD1-CG1 4.04Å; I400-V415 HydrophobicContact CG1-CG1 4.32Å; I400-V415 HydrophobicContact CG2-CG1 3.74Å; F413-V415 HydrophobicContact CD2-CG2 3.49Å; F413-V415 VanDerWaalsContact CD2-CG2 3.49Å; F413-V415 HydrophobicContact CE2-CG2 3.4Å; V415-A423 PolarHBondContact N-O 2.85Å; V415-A423 PolarHBondContact O-N 3.47Å; V415-M425 HydrophobicContact CG2-CE 4.48Å; V415-M425 HydrophobicContact CG2-CG 4.48Å; V415-M425 HydrophobicContact CG2-SD 3.97Å
416A85.3Confident83.5Confident1 Ų139.2 Ų39.21%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-102.4118.4168.200000109.7H401 S402 V422 C448H401-A416 PolarHBondContact N-O 2.91Å; S402-A416 PolarHBondContact N-O 3.37Å; S402-A416 PolarHBondContact O-N 2.9Å; A416-V422 HydrophobicContact CB-CG2 4.03Å; A416-C448 HydrophobicContact CB-CB 3.9Å; A416-C448 VanDerWaalsContact CB-SG 3.53Å
417S83.3Confident83.6Confident13 Ų1340.5 Ų40.59%0.09121%0.205CC..EExtended strand (participates in β ladder)trans-97.6163.8173.943.30000110.8S399 S419 T421S399-S417 CarbonylContact O-C 3.58Å; S417-S419 PolarHBondContact O-N 2.54Å; S417-S419 PolarHBondContact OG-OG 3.4Å; S417-T421 PolarHBondContact OG-O 3.23Å
418R78.7Confident83.9Confident153 Ų15344 Ų4458%0.57722%0.215SC*.SBendtrans-71.959.7168.9-168.7162.6-177166.83.5110.7V398 S399 H401V398-R418 HydrophobicContact CG1-CB 4.16Å; V398-R418 VanDerWaalsContact CG1-O 3.27Å; V398-R418 WeakPolarHBondContact CG1-O 3.41Å; S399-R418 WeakPolarHBondContact O-CB 3.4Å; S399-R418 PolarHBondContact O-N 2.88Å; S399-R418 WeakPolarHBondContact OG-CB 3.35Å; S399-R418 WeakPolarHBondContact OG-CD 3.42Å; H401-R418 VanDerWaalsContact CE1-CA 3.48Å; H401-R418 WeakPolarHBondContact CE1-CA 3.32Å; H401-R418 WeakPolarHBondContact CE1-CB 3.41Å; H401-R418 VanDerWaalsContact CE1-CG 3.46Å; H401-R418 WeakPolarHBondContact CE1-CG 3.4Å; H401-R418 PolarHBondContact ND1-N 2.97Å
419S81.3Confident84.2Confident16 Ų1637.7 Ų37.711%0.11220%0.198CC..SBendtrans-145.6170.4177.457.60000107.9S417 T421 F445S417-S419 PolarHBondContact O-N 2.54Å; S417-S419 PolarHBondContact OG-OG 3.4Å; S419-T421 PolarHBondContact O-N 3.48Å; S419-T421 PolarHBondContact OG-N 3.09Å; S419-T421 PolarHBondContact OG-O 2.87Å; S419-T421 PolarHBondContact OG-OG1 3.25Å; S419-F445 VanDerWaalsContact O-CD2 3.23Å; S419-F445 WeakPolarHBondContact O-CD2 3.33Å; S419-F445 PolarHBondContact O-N 3.17Å
420N82.5Confident84.5Confident33 Ų3340.6 Ų40.618%0.17621%0.21CC..SBendtrans-72.519.2169.268.1-15.8000113.6S436 S437 K439 G443 F445N420-S436 WeakPolarHBondContact O-CA 3.37Å; N420-S436 PolarHBondContact O-OG 3.4Å; N420-S437 WeakPolarHBondContact CB-OG 3.47Å; N420-S437 PolarHBondContact O-N 3.41Å; N420-K439 WeakPolarHBondContact CB-O 3.18Å; N420-K439 PolarHBondContact ND2-O 3.14Å; N420-G443 WeakPolarHBondContact CA-O 3.44Å; N420-G443 WeakPolarHBondContact CB-O 3.39Å; N420-F445 WeakPolarHBondContact O-CE2 3.22Å
421T83.4Confident84.8Confident50 Ų5040.6 Ų40.631%0.30721%0.207SC..EExtended strand (participates in β ladder)trans-131138.5-176.152.20000112.6S417 S419 F435S417-T421 PolarHBondContact OG-O 3.23Å; S419-T421 PolarHBondContact O-N 3.48Å; S419-T421 PolarHBondContact OG-N 3.09Å; S419-T421 PolarHBondContact OG-O 2.87Å; S419-T421 PolarHBondContact OG-OG1 3.25Å; T421-F435 CarbonylContact C-O 3.57Å; T421-F435 VanDerWaalsContact CA-O 3.23Å; T421-F435 WeakPolarHBondContact CA-O 3.22Å
422V85.7Confident84.9Confident0 Ų038.8 Ų38.80%020%0.199CC..EExtended strand (participates in β ladder)trans-122.2134.8168.9174.30000108.2V414 A416 S434 F435 F445 C459V414-V422 HydrophobicContact CG1-CG1 3.35Å; A416-V422 HydrophobicContact CB-CG2 4.03Å; V422-S434 CarbonylContact O-C 3.56Å; V422-S434 WeakPolarHBondContact O-CA 3.4Å; V422-F435 HydrophobicContact CB-CD2 4.41Å; V422-F435 HydrophobicContact CG1-CD2 4.37Å; V422-F435 PolarHBondContact N-O 3.23Å; V422-F435 WeakPolarHBondContact O-CD2 3.39Å; V422-F435 PolarHBondContact O-N 3.23Å; V422-F445 HydrophobicContact CG2-CD2 3.5Å; V422-F445 VanDerWaalsContact CG2-CD2 3.5Å; V422-F445 HydrophobicContact CG2-CE2 3.77Å; V422-F445 HydrophobicContact CG2-CG 4.21Å; V422-C459 VanDerWaalsContact CG2-SG 3.59Å
423A86.7Confident84.7Confident16 Ų1641.2 Ų41.213%0.13221%0.207CC..EExtended strand (participates in β ladder)trans-119.6139.9-17800000111.4V414 V415 M425 I431 R433V414-A423 CarbonylContact C-O 3.51Å; V414-A423 WeakPolarHBondContact CA-O 3.4Å; V415-A423 PolarHBondContact N-O 2.85Å; V415-A423 PolarHBondContact O-N 3.47Å; A423-M425 HydrophobicContact CB-CE 4.18Å; A423-I431 HydrophobicContact CB-CG2 4.16Å; A423-R433 CarbonylContact C-O 3.58Å; A423-R433 WeakPolarHBondContact CA-O 3.16Å
424I87.2Confident84.6Confident0 Ų045.5 Ų45.50%024%0.237CC..EExtended strand (participates in β ladder)trans-92.2121.7162.8-49.1-168.7000107.1Q412 F413 V414 I431 V432 R433 F435 I457 V471Q412-I424 HydrophobicContact CB-CG2 3.98Å; Q412-I424 HydrophobicContact CG-CG2 4.41Å; F413-I424 CarbonylContact O-C 3.58Å; F413-I424 WeakPolarHBondContact O-CA 3.41Å; V414-I424 HydrophobicContact CG2-CD1 4.5Å; V414-I424 HydrophobicContact CG2-CG1 4.11Å; I424-I431 CarbonylContact O-C 3.56Å; I424-V432 HydrophobicContact CG2-CB 4.47Å; I424-V432 PolarHBondContact O-N 3.05Å; I424-R433 HydrophobicContact CB-CB 4.46Å; I424-R433 HydrophobicContact CG1-CB 4.45Å; I424-R433 PolarHBondContact N-O 3.32Å; I424-R433 PolarHBondContact O-N 3.17Å; I424-F435 HydrophobicContact CD1-CE2 3.7Å; I424-F435 HydrophobicContact CD1-CZ 3.63Å; I424-F435 HydrophobicContact CG1-CE2 3.5Å; I424-F435 VanDerWaalsContact CG1-CE2 3.5Å; I424-F435 HydrophobicContact CG1-CZ 3.88Å; I424-I457 HydrophobicContact CD1-CD1 4.21Å; I424-I457 HydrophobicContact CG1-CD1 4.45Å; I424-V471 HydrophobicContact CD1-CG1 3.91Å
425M86.9Confident84.4Confident5 Ų545.8 Ų45.83%0.02524%0.238CC..EExtended strand (participates in β ladder)trans-113.7151.8176.4-66179.8-174.900110.2A389 Q412 F413 V415 A423 Q430 I431A389-M425 HydrophobicContact CB-CE 4.02Å; Q412-M425 VanDerWaalsContact CA-O 3.32Å; Q412-M425 WeakPolarHBondContact CA-O 3.26Å; F413-M425 HydrophobicContact CD2-CB 4.23Å; F413-M425 HydrophobicContact CE1-CB 4.1Å; F413-M425 HydrophobicContact CE2-CB 3.65Å; F413-M425 HydrophobicContact CE2-CG 4.37Å; F413-M425 HydrophobicContact CE2-SD 4.1Å; F413-M425 HydrophobicContact CZ-CB 3.57Å; F413-M425 HydrophobicContact CZ-SD 4.35Å; F413-M425 PolarHBondContact N-O 3.06Å; F413-M425 PolarHBondContact O-N 3.07Å; V415-M425 HydrophobicContact CG2-CE 4.48Å; V415-M425 HydrophobicContact CG2-CG 4.48Å; V415-M425 HydrophobicContact CG2-SD 3.97Å; A423-M425 HydrophobicContact CB-CE 4.18Å; M425-Q430 VanDerWaalsContact CA-O 3.28Å; M425-Q430 WeakPolarHBondContact CA-O 3.44Å; M425-I431 HydrophobicContact CE-CD1 4.29Å; M425-I431 HydrophobicContact CE-CG1 3.87Å; M425-I431 HydrophobicContact CG-CG1 4.06Å
426N88.3Confident84.3Confident28 Ų2848.2 Ų48.215%0.1526%0.255CS..EExtended strand (participates in β ladder)trans-88.3168.6168.769.89.4000111.1D411 F413 Q428 G429 Q430 V432D411-N426 CarbonylContact O-C 3.5Å; D411-N426 VanDerWaalsContact O-CA 3.29Å; D411-N426 WeakPolarHBondContact O-CA 3.01Å; F413-N426 WeakPolarHBondContact CE1-O 3.25Å; N426-Q428 PolarHBondContact O-N 3.35Å; N426-Q428 WeakPolarHBondContact OD1-CA 3.28Å; N426-Q428 WeakPolarHBondContact OD1-CB 3.37Å; N426-Q428 PolarHBondContact OD1-N 2.81Å; N426-G429 PolarHBondContact O-N 3.17Å; N426-G429 PolarHBondContact OD1-N 3.44Å; N426-Q430 PolarHBondContact N-O 2.85Å; N426-Q430 PolarHBondContact ND2-OE1 3.23Å; N426-Q430 PolarHBondContact OD1-N 3.23Å; N426-Q430 PolarHBondContact OD1-O 2.58Å; N426-V432 HydrophobicContact CB-CG2 4.06Å
427M84.8Confident84Confident43 Ų4348.7 Ų48.721%0.21226%0.259CS..THydrogen-bonded Turntrans-62.8-6.3176.4-62.7-54.9-72.900114.9L358 I375 N385 F387 D411 F413L358-M427 HydrophobicContact CD1-CE 3.45Å; L358-M427 VanDerWaalsContact CD1-CE 3.45Å; L358-M427 HydrophobicContact CD2-CE 3.48Å; L358-M427 VanDerWaalsContact CD2-CE 3.48Å; L358-M427 HydrophobicContact CD2-SD 3.93Å; L358-M427 HydrophobicContact CG-CE 4.11Å; I375-M427 HydrophobicContact CD1-CE 3.43Å; I375-M427 VanDerWaalsContact CD1-CE 3.43Å; I375-M427 HydrophobicContact CD1-SD 4.35Å; I375-M427 HydrophobicContact CG1-CE 4.4Å; N385-M427 PolarHBondContact ND2-O 3.27Å; F387-M427 WeakPolarHBondContact CZ-O 3.29Å; D411-M427 WeakPolarHBondContact O-CG 3.4Å; D411-M427 PolarHBondContact O-N 3.29Å; F413-M427 HydrophobicContact CD1-SD 3.73Å; F413-M427 HydrophobicContact CE1-SD 3.96Å
428Q83.3Confident83.6Confident145 Ų14551.2 Ų51.268%0.67829%0.286SS*.THydrogen-bonded Turntrans-97.2-2173.3-61.6175.7-4.200112.6F387 N426F387-Q428 VanDerWaalsContact CE1-C 3.43Å; N426-Q428 PolarHBondContact O-N 3.35Å; N426-Q428 WeakPolarHBondContact OD1-CA 3.28Å; N426-Q428 WeakPolarHBondContact OD1-CB 3.37Å; N426-Q428 PolarHBondContact OD1-N 2.81Å
429G79.6Confident83.3Confident24 Ų2447.9 Ų47.925%0.24728%0.276CS..SBendtrans86.85178.400000115.4F387 N426F387-G429 VanDerWaalsContact CE1-N 3.27Å; N426-G429 PolarHBondContact O-N 3.17Å; N426-G429 PolarHBondContact OD1-N 3.44Å
430Q84.6Confident82.5Confident117 Ų11758.6 Ų58.655%0.54731%0.314SS..  trans-80.9133.8176.3-58.9171.8-16.800109.7M425 N426 V432M425-Q430 VanDerWaalsContact CA-O 3.28Å; M425-Q430 WeakPolarHBondContact CA-O 3.44Å; N426-Q430 PolarHBondContact N-O 2.85Å; N426-Q430 PolarHBondContact ND2-OE1 3.23Å; N426-Q430 PolarHBondContact OD1-N 3.23Å; N426-Q430 PolarHBondContact OD1-O 2.58Å; Q430-V432 PolarHBondContact O-N 3.17Å
431I85Confident81.8Confident71 Ų7165.6 Ų65.636%0.36435%0.346SS..EExtended strand (participates in β ladder)trans-73.5111.4173.8-60.5167.6000107.9I390 A423 I424 M425I390-I431 HydrophobicContact CB-CD1 4.41Å; I390-I431 HydrophobicContact CD1-CD1 4.05Å; I390-I431 HydrophobicContact CG1-CD1 4.33Å; A423-I431 HydrophobicContact CB-CG2 4.16Å; I424-I431 CarbonylContact O-C 3.56Å; M425-I431 HydrophobicContact CE-CD1 4.29Å; M425-I431 HydrophobicContact CE-CG1 3.87Å; M425-I431 HydrophobicContact CG-CG1 4.06Å
432V85.5Confident81Confident64 Ų6465.4 Ų65.439%0.38835%0.354SS..EExtended strand (participates in β ladder)trans-75.1-45.8175.7-177.80000109.5I424 N426 Q430I424-V432 HydrophobicContact CG2-CB 4.47Å; I424-V432 PolarHBondContact O-N 3.05Å; N426-V432 HydrophobicContact CB-CG2 4.06Å; Q430-V432 PolarHBondContact O-N 3.17Å
433R84.4Confident80.4Confident84 Ų8465.4 Ų65.432%0.31735%0.354SS..EExtended strand (participates in β ladder)trans-149.2150.2-179.6-76.1-174.3-79.4-166.6-0.4111.2A423 I424 F435 V471A423-R433 CarbonylContact C-O 3.58Å; A423-R433 WeakPolarHBondContact CA-O 3.16Å; I424-R433 HydrophobicContact CB-CB 4.46Å; I424-R433 HydrophobicContact CG1-CB 4.45Å; I424-R433 PolarHBondContact N-O 3.32Å; I424-R433 PolarHBondContact O-N 3.17Å; R433-F435 HydrophobicContact CB-CE1 4.36Å; R433-F435 HydrophobicContact CB-CZ 4.06Å; R433-V471 PolarHBondContact NH1-O 3.46Å
434S85.6Confident80.1Confident90 Ų9067.9 Ų67.963%0.62937%0.365SS*.EExtended strand (participates in β ladder)trans-127.4137.2172.558.60000110V422V422-S434 CarbonylContact O-C 3.56Å; V422-S434 WeakPolarHBondContact O-CA 3.4Å
435F84.5Confident80Confident6 Ų668 Ų683%0.02637%0.365CS..EExtended strand (participates in β ladder)trans-115.2138.5174.9-43.9-71.5000108.2T421 V422 I424 R433 I457 F469 V471 G475T421-F435 CarbonylContact C-O 3.57Å; T421-F435 VanDerWaalsContact CA-O 3.23Å; T421-F435 WeakPolarHBondContact CA-O 3.22Å; V422-F435 HydrophobicContact CB-CD2 4.41Å; V422-F435 HydrophobicContact CG1-CD2 4.37Å; V422-F435 PolarHBondContact N-O 3.23Å; V422-F435 WeakPolarHBondContact O-CD2 3.39Å; V422-F435 PolarHBondContact O-N 3.23Å; I424-F435 HydrophobicContact CD1-CE2 3.7Å; I424-F435 HydrophobicContact CD1-CZ 3.63Å; I424-F435 HydrophobicContact CG1-CE2 3.5Å; I424-F435 VanDerWaalsContact CG1-CE2 3.5Å; I424-F435 HydrophobicContact CG1-CZ 3.88Å; R433-F435 HydrophobicContact CB-CE1 4.36Å; R433-F435 HydrophobicContact CB-CZ 4.06Å; F435-I457 HydrophobicContact CD2-CD1 3.79Å; F435-I457 HydrophobicContact CE2-CD1 3.21Å; F435-I457 HydrophobicContact CZ-CD1 3.87Å; F435-F469 HydrophobicContact CB-CD1 3.84Å; F435-F469 HydrophobicContact CB-CD2 4.32Å; F435-F469 HydrophobicContact CB-CE1 3.89Å; F435-F469 HydrophobicContact CB-CE2 4.38Å; F435-F469 HydrophobicContact CB-CG 4.05Å; F435-F469 HydrophobicContact CB-CZ 4.18Å; F435-F469 HydrophobicContact CD1-CB 4.48Å; F435-F469 HydrophobicContact CD1-CD1 4.45Å; F435-F469 HydrophobicContact CG-CB 4.49Å; F435-F469 HydrophobicContact CG-CD1 4.35Å; F435-F469 HydrophobicContact CG-CG 4.31Å; F435-V471 HydrophobicContact CZ-CG2 4.4Å; F435-G475 WeakPolarHBondContact CD1-O 3.42Å
436S83.3Confident79.8Confident53 Ų5370.2 Ų70.237%0.37138%0.377SS..EExtended strand (participates in β ladder)trans-128.6145.4175.3-176.30000110.5N420 G438N420-S436 WeakPolarHBondContact O-CA 3.37Å; N420-S436 PolarHBondContact O-OG 3.4Å; S436-G438 PolarHBondContact O-N 2.94Å; S436-G438 PolarHBondContact OG-N 2.82Å
437S78.3Confident79.7Confident12 Ų1270.1 Ų70.18%0.08438%0.377CS..  trans-68.2-16.3170.266.30000112.5N420 K439 G443N420-S437 WeakPolarHBondContact CB-OG 3.47Å; N420-S437 PolarHBondContact O-N 3.41Å; S437-K439 PolarHBondContact O-N 2.89Å; S437-K439 PolarHBondContact OG-N 2.8Å; S437-G443 PolarHBondContact OG-O 2.77Å
438G75.2Confident79.8Confident65 Ų6568.1 Ų68.167%0.6737%0.367SS*.  trans74.9-5-176.500000114.4S436S436-G438 PolarHBondContact O-N 2.94Å; S436-G438 PolarHBondContact OG-N 2.82Å
439K73.8Confident80.1Confident84 Ų8462 Ų6237%0.36534%0.339SS..  trans-89.8132.8175.7-67.5-172.1-178.8173.20110.2N420 S437 D463 Y467N420-K439 WeakPolarHBondContact CB-O 3.18Å; N420-K439 PolarHBondContact ND2-O 3.14Å; S437-K439 PolarHBondContact O-N 2.89Å; S437-K439 PolarHBondContact OG-N 2.8Å; K439-D463 IonicContact NZ-OD2 2.63Å; K439-D463 PolarHBondContact NZ-OD2 2.83Å; K439-Y467 WeakPolarHBondContact CD-OH 2.97Å; K439-Y467 WeakPolarHBondContact CE-OH 3.28Å; K439-Y467 PolarHBondContact NZ-OH 3.28Å
440R64.2Low80.5Confident241 Ų24161.8 Ų61.891%0.90933%0.333SS*.SBendtrans-83.6-28.3179.4-70.8-173.4-178.8-171.20.1113.6
441E67.2Low80.5Confident179 Ų17956.4 Ų56.484%0.83631%0.308SS*.SBendtrans-130.1141.2-179.8-68.3-177.3172.700109.9G443E441-G443 PolarHBondContact O-N 2.76Å; E441-G443 VanDerWaalsContact O-N 3.1Å
442G67.6Low80.2Confident46 Ų4654.7 Ų54.747%0.47431%0.308SS..SBendtrans70.7-3.2178.800000115.9D444 D463G442-D444 VanDerWaalsContact C-N 3.35Å; G442-D463 PolarHBondContact O-N 2.96Å
443G71.7Confident79.8Confident1 Ų154.9 Ų54.91%0.0130%0.302CS..  trans-93.219.7-178.300000114.7N420 S437 E441N420-G443 WeakPolarHBondContact CA-O 3.44Å; N420-G443 WeakPolarHBondContact CB-O 3.39Å; S437-G443 PolarHBondContact OG-O 2.77Å; E441-G443 PolarHBondContact O-N 2.76Å; E441-G443 VanDerWaalsContact O-N 3.1Å
444D81.4Confident79.5Confident68 Ų6851 Ų5136%0.36429%0.288SS..  trans-72.2129.6-178-65.7-29.2000110.5G442 L446 A461 G462G442-D444 VanDerWaalsContact C-N 3.35Å; D444-L446 PolarHBondContact O-N 2.98Å; D444-A461 CarbonylContact O-C 3.51Å; D444-A461 WeakPolarHBondContact O-CA 3.3Å; D444-A461 WeakPolarHBondContact O-CB 3.23Å; D444-G462 PolarHBondContact O-N 3.44Å
445F84.4Confident79.4Confident1 Ų149.1 Ų49.10%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-74.1127.3178.6-60.7-54.1000110.7H401 S419 N420 V422 C459 V460 A461 Y467 F469H401-F445 PolarHBondContact CE1-O 3.39Å; H401-F445 PolarHBondContact ND1-O 3.07Å; S419-F445 VanDerWaalsContact O-CD2 3.23Å; S419-F445 WeakPolarHBondContact O-CD2 3.33Å; S419-F445 PolarHBondContact O-N 3.17Å; N420-F445 WeakPolarHBondContact O-CE2 3.22Å; V422-F445 HydrophobicContact CG2-CD2 3.5Å; V422-F445 VanDerWaalsContact CG2-CD2 3.5Å; V422-F445 HydrophobicContact CG2-CE2 3.77Å; V422-F445 HydrophobicContact CG2-CG 4.21Å; F445-C459 HydrophobicContact CD1-CB 3.44Å; F445-C459 VanDerWaalsContact CD1-CB 3.44Å; F445-C459 HydrophobicContact CE1-CB 3.58Å; F445-C459 HydrophobicContact CG-CB 4.02Å; F445-C459 HydrophobicContact CZ-CB 4.23Å; F445-V460 CarbonylContact C-O 3.5Å; F445-V460 WeakPolarHBondContact CA-O 3.25Å; F445-A461 HydrophobicContact CD1-CB 3.99Å; F445-A461 HydrophobicContact CE1-CB 4.4Å; F445-Y467 AromaticContact CE1-CD2 3.87Å; F445-Y467 HydrophobicContact CE1-CD2 3.87Å; F445-Y467 HydrophobicContact CE1-CE2 4.48Å; F445-Y467 AromaticContact CE1-CG 4Å; F445-Y467 HydrophobicContact CE1-CG 4Å; F445-F469 HydrophobicContact CE1-CE2 4.42Å; F445-F469 AromaticContact CZ-CE2 3.93Å; F445-F469 HydrophobicContact CZ-CE2 3.93Å; F445-F469 AromaticContact CZ-CZ 3.97Å; F445-F469 HydrophobicContact CZ-CZ 3.97Å
446L82.6Confident79.5Confident52 Ų5249.2 Ų49.227%0.27227%0.27SS..EExtended strand (participates in β ladder)trans-89.3-43.3177.2-63.3177.5000110.7D444 V460 V488D444-L446 PolarHBondContact O-N 2.98Å; L446-V460 PolarHBondContact N-O 3.49Å; L446-V488 WeakPolarHBondContact CD1-O 3.22Å
447D85.7Confident79.8Confident27 Ų2746.8 Ų46.814%0.14425%0.252CS..EExtended strand (participates in β ladder)trans-148.8159.5-179.9-170.124.2000111.1C459 V460 G490 C491D447-C459 WeakPolarHBondContact O-CA 3.43Å; D447-V460 PolarHBondContact O-N 2.81Å; D447-G490 VanDerWaalsContact OD2-CA 3.3Å; D447-G490 WeakPolarHBondContact OD2-CA 3.41Å; D447-C491 PolarHBondContact OD2-N 3.14Å
448C88.2Confident80.4Confident1 Ų146.3 Ų46.31%0.00725%0.249CC..EExtended strand (participates in β ladder)trans-138.5150.117581.20000111.2S402 H404 A416 Y458S402-C448 PolarHBondContact OG-SG 3.29Å; H404-C448 PolarHBondContact CE1-O 2.82Å; H404-C448 PolarHBondContact ND1-SG 2.86Å; A416-C448 HydrophobicContact CB-CB 3.9Å; A416-C448 VanDerWaalsContact CB-SG 3.53Å; C448-Y458 CarbonylContact C-O 3.55Å; C448-Y458 VanDerWaalsContact CA-O 3.26Å; C448-Y458 WeakPolarHBondContact CA-O 3.45Å
449T88.4Confident81Confident16 Ų1643.2 Ų43.210%0.09822%0.217CC..EExtended strand (participates in β ladder)trans-141.9155173-162.10000110.7Y458 C491 H493 I500T449-Y458 HydrophobicContact CG2-CD2 4.05Å; T449-Y458 HydrophobicContact CG2-CG 4.47Å; T449-Y458 PolarHBondContact N-O 3.16Å; T449-Y458 PolarHBondContact O-N 3.48Å; T449-C491 HydrophobicContact CG2-CB 4.28Å; T449-C491 VanDerWaalsContact CG2-SG 3.55Å; T449-H493 HydrophobicContact CG2-CB 4.12Å; T449-I500 HydrophobicContact CG2-CD1 3.82Å; T449-I500 HydrophobicContact CG2-CG1 4.43Å
450L88.6Confident81.7Confident20 Ų2039.2 Ų39.211%0.10520%0.2CC..EExtended strand (participates in β ladder)trans-104.9144179.2-65.2175.3000110H404 L405 M406 V414 I457 H493H404-L450 HydrophobicContact CB-CD1 3.7Å; H404-L450 HydrophobicContact CB-CG 4.13Å; L405-L450 WeakPolarHBondContact O-CD1 3.4Å; M406-L450 HydrophobicContact SD-CD1 3.91Å; M406-L450 HydrophobicContact SD-CD2 4.13Å; V414-L450 HydrophobicContact CG2-CD1 4.27Å; V414-L450 HydrophobicContact CG2-CD2 4.03Å; L450-I457 HydrophobicContact CD2-CB 4.31Å; L450-I457 HydrophobicContact CD2-CD1 4.46Å; L450-I457 HydrophobicContact CD2-CG1 3.45Å; L450-I457 VanDerWaalsContact CD2-CG1 3.45Å; L450-H493 WeakPolarHBondContact O-CB 3.13Å
451S85.9Confident82.8Confident3 Ų327.8 Ų27.82%0.02116%0.156CC..  trans-57.6157.6163.449.90000112.1E199 R453 G454 E455 W456E199-S451 WeakPolarHBondContact OE2-CB 3.36Å; E199-S451 PolarHBondContact OE2-OG 3.29Å; E199-S451 VanDerWaalsContact OE2-OG 3.1Å; S451-R453 PolarHBondContact O-N 2.77Å; S451-R453 VanDerWaalsContact O-N 3.17Å; S451-G454 PolarHBondContact O-N 2.91Å; S451-G454 VanDerWaalsContact OG-CA 3.29Å; S451-G454 WeakPolarHBondContact OG-CA 3.09Å; S451-G454 PolarHBondContact OG-N 3.17Å; S451-G454 VanDerWaalsContact OG-N 3.16Å; S451-E455 PolarHBondContact OG-N 3.43Å; S451-W456 PolarHBondContact N-O 3.15Å; S451-W456 PolarHBondContact OG-N 2.78Å; S451-W456 PolarHBondContact OG-O 3.31Å
452G77.2Confident83.5Confident36 Ų3620.7 Ų20.737%0.37113%0.132SC..THydrogen-bonded Turntrans-57.7-32.2-177.800000113.5H493G452-H493 PolarHBondContact N-CE1 2.77Å; G452-H493 PolarHBondContact N-ND1 3.01Å
453R76.7Confident84.3Confident67 Ų6720.1 Ų20.125%0.25312%0.118SC..THydrogen-bonded Turntrans-96.9-8.2174.5-57177.3-173.217712113.6E197 E199 R408 S451 E455E197-R453 PolarHBondContact O-NH2 3.43Å; E197-R453 VanDerWaalsContact O-NH2 3.15Å; E199-R453 WeakPolarHBondContact OE1-CB 3.32Å; E199-R453 VanDerWaalsContact OE1-CG 3.22Å; E199-R453 WeakPolarHBondContact OE1-CG 3.48Å; E199-R453 PolarHBondContact OE1-N 2.86Å; R408-R453 WeakPolarHBondContact CD-O 3.47Å; R408-R453 VanDerWaalsContact CG-O 3.32Å; R408-R453 WeakPolarHBondContact CG-O 3.46Å; R408-R453 PolarHBondContact NE-O 2.92Å; S451-R453 PolarHBondContact O-N 2.77Å; S451-R453 VanDerWaalsContact O-N 3.17Å; R453-E455 HydrophobicContact CB-CG 4.27Å
454G80Confident84.9Confident4 Ų422.2 Ų22.24%0.04113%0.127CC..SBendtrans73.521.3-178.200000114.2M406 S451M406-G454 VanDerWaalsContact CE-O 3.28Å; M406-G454 WeakPolarHBondContact CE-O 3.35Å; S451-G454 PolarHBondContact O-N 2.91Å; S451-G454 VanDerWaalsContact OG-CA 3.29Å; S451-G454 WeakPolarHBondContact OG-CA 3.09Å; S451-G454 PolarHBondContact OG-N 3.17Å; S451-G454 VanDerWaalsContact OG-N 3.16Å
455E83.3Confident85.3Confident49 Ų4920.4 Ų20.423%0.22912%0.117CC..SBendtrans-80.6-24.3174.5-57.8-176.7160.500111.7E199 R408 S451 R453 V471E199-E455 WeakPolarHBondContact OE2-CB 3.45Å; R408-E455 IonicContact CZ-OE1 3.35Å; R408-E455 IonicContact NH1-OE1 3.17Å; R408-E455 PolarHBondContact NH1-OE1 2.7Å; R408-E455 IonicContact NH2-OE1 2.66Å; R408-E455 PolarHBondContact NH2-OE1 2.76Å; S451-E455 PolarHBondContact OG-N 3.43Å; R453-E455 HydrophobicContact CB-CG 4.27Å; E455-V471 WeakPolarHBondContact O-CA 3.14Å; E455-V471 VanDerWaalsContact O-CB 3.27Å; E455-V471 WeakPolarHBondContact O-CB 3.2Å; E455-V471 PolarHBondContact O-N 3.22Å
456W86.7Confident85.5Confident9 Ų920.5 Ų20.53%0.03412%0.118CC..EExtended strand (participates in β ladder)trans-118.4140.8176.9-63.685.2000112.9E199 P201 S451 Y458 C468 F469 N470 E478E199-W456 PolarHBondContact O-NE1 3.34Å; P201-W456 HydrophobicContact CB-CE3 4.44Å; P201-W456 HydrophobicContact CB-CH2 3.8Å; P201-W456 HydrophobicContact CB-CZ2 4.42Å; P201-W456 HydrophobicContact CB-CZ3 3.85Å; P201-W456 HydrophobicContact CG-CH2 3.72Å; P201-W456 HydrophobicContact CG-CZ2 4.24Å; P201-W456 HydrophobicContact CG-CZ3 4.26Å; S451-W456 PolarHBondContact N-O 3.15Å; S451-W456 PolarHBondContact OG-N 2.78Å; S451-W456 PolarHBondContact OG-O 3.31Å; W456-Y458 HydrophobicContact CB-CE1 4.11Å; W456-Y458 HydrophobicContact CB-CE2 3.98Å; W456-C468 HydrophobicContact CE3-CB 4.26Å; W456-C468 HydrophobicContact CZ3-CB 4.17Å; W456-F469 WeakPolarHBondContact CA-O 3.46Å; W456-N470 HydrophobicContact CD2-CB 4.45Å; W456-N470 HydrophobicContact CE3-CB 4.08Å; W456-N470 HydrophobicContact CH2-CB 4.01Å; W456-N470 HydrophobicContact CZ2-CB 4.32Å; W456-N470 HydrophobicContact CZ3-CB 3.86Å; W456-E478 HydrophobicContact CH2-CB 4.15Å; W456-E478 VanDerWaalsContact CH2-CD 3.46Å; W456-E478 HydrophobicContact CH2-CG 4.19Å; W456-E478 WeakPolarHBondContact CH2-OE2 3.26Å; W456-E478 HydrophobicContact CZ3-CB 4.04Å; W456-E478 HydrophobicContact CZ3-CG 4.28Å
457I89.1Confident85.8Confident1 Ų118.1 Ų18.11%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-110.7128165.5-62.6161.5000107.6V414 I424 F435 L450 C459 F469 V471V414-I457 HydrophobicContact CG1-CD1 4.31Å; V414-I457 HydrophobicContact CG2-CD1 4.39Å; I424-I457 HydrophobicContact CD1-CD1 4.21Å; I424-I457 HydrophobicContact CG1-CD1 4.45Å; F435-I457 HydrophobicContact CD2-CD1 3.79Å; F435-I457 HydrophobicContact CE2-CD1 3.21Å; F435-I457 HydrophobicContact CZ-CD1 3.87Å; L450-I457 HydrophobicContact CD2-CB 4.31Å; L450-I457 HydrophobicContact CD2-CD1 4.46Å; L450-I457 HydrophobicContact CD2-CG1 3.45Å; L450-I457 VanDerWaalsContact CD2-CG1 3.45Å; I457-C459 VanDerWaalsContact CG2-SG 3.6Å; I457-F469 HydrophobicContact CB-CB 4.33Å; I457-F469 PolarHBondContact N-O 2.9Å; I457-F469 PolarHBondContact O-N 2.91Å; I457-V471 HydrophobicContact CB-CG2 4.47Å; I457-V471 HydrophobicContact CD1-CG2 3.41Å; I457-V471 VanDerWaalsContact CD1-CG2 3.41Å; I457-V471 HydrophobicContact CG1-CG2 3.54Å
458Y89.9Confident85.9Confident3 Ų316.9 Ų16.91%0.01210%0.098CC..EExtended strand (participates in β ladder)trans-109.8123.7174.2-53.7-70.8000108.7P202 C448 T449 W456 Y467 C468 H493 I500P202-Y458 HydrophobicContact CG-CE1 4.32Å; C448-Y458 CarbonylContact C-O 3.55Å; C448-Y458 VanDerWaalsContact CA-O 3.26Å; C448-Y458 WeakPolarHBondContact CA-O 3.45Å; T449-Y458 HydrophobicContact CG2-CD2 4.05Å; T449-Y458 HydrophobicContact CG2-CG 4.47Å; T449-Y458 PolarHBondContact N-O 3.16Å; T449-Y458 PolarHBondContact O-N 3.48Å; W456-Y458 HydrophobicContact CB-CE1 4.11Å; W456-Y458 HydrophobicContact CB-CE2 3.98Å; Y458-Y467 WeakPolarHBondContact CA-O 3.41Å; Y458-C468 HydrophobicContact CD1-CB 4.11Å; Y458-C468 HydrophobicContact CE1-CB 4.24Å; Y458-H493 AromaticContact CE2-CD2 3.63Å; Y458-I500 VanDerWaalsContact CB-CD1 3.49Å; Y458-I500 HydrophobicContact CD1-CD1 4.2Å; Y458-I500 HydrophobicContact CD2-CD1 3.77Å; Y458-I500 HydrophobicContact CG-CD1 3.55Å
459C89Confident85.9Confident0 Ų016.9 Ų16.90%010%0.098CC..EExtended strand (participates in β ladder)trans-119.9134.7177.6-55.90000109.9V422 F445 D447 I457 Y467 F469V422-C459 VanDerWaalsContact CG2-SG 3.59Å; F445-C459 HydrophobicContact CD1-CB 3.44Å; F445-C459 VanDerWaalsContact CD1-CB 3.44Å; F445-C459 HydrophobicContact CE1-CB 3.58Å; F445-C459 HydrophobicContact CG-CB 4.02Å; F445-C459 HydrophobicContact CZ-CB 4.23Å; D447-C459 WeakPolarHBondContact O-CA 3.43Å; I457-C459 VanDerWaalsContact CG2-SG 3.6Å; C459-Y467 PolarHBondContact N-O 3.26Å; C459-Y467 PolarHBondContact O-N 2.83Å; C459-F469 HydrophobicContact CB-CE2 4.35Å
460V88.1Confident85.7Confident0 Ų017 Ų170%010%0.099CC..EExtended strand (participates in β ladder)trans-98.6133.9171.4173.50000108F445 L446 D447 L466 I483 V488 C491F445-V460 CarbonylContact C-O 3.5Å; F445-V460 WeakPolarHBondContact CA-O 3.25Å; L446-V460 PolarHBondContact N-O 3.49Å; D447-V460 PolarHBondContact O-N 2.81Å; V460-L466 HydrophobicContact CG2-CD1 3.79Å; V460-I483 HydrophobicContact CG2-CD1 4.16Å; V460-V488 HydrophobicContact CB-CG1 4.43Å; V460-V488 HydrophobicContact CG1-CB 3.4Å; V460-V488 VanDerWaalsContact CG1-CB 3.4Å; V460-V488 HydrophobicContact CG1-CG1 3.36Å; V460-V488 HydrophobicContact CG1-CG2 4.19Å; V460-V488 HydrophobicContact CG2-CG1 4.28Å; V460-C491 HydrophobicContact CG2-CB 3.74Å
461A86.4Confident85.5Confident0 Ų016.4 Ų16.40%010%0.095CC..EExtended strand (participates in β ladder)trans-117.3164.7177.400000112.6D444 F445 D463 H464 L465 Y467D444-A461 CarbonylContact O-C 3.51Å; D444-A461 WeakPolarHBondContact O-CA 3.3Å; D444-A461 WeakPolarHBondContact O-CB 3.23Å; F445-A461 HydrophobicContact CD1-CB 3.99Å; F445-A461 HydrophobicContact CE1-CB 4.4Å; A461-D463 WeakPolarHBondContact CB-OD1 3.46Å; A461-D463 PolarHBondContact O-N 3.05Å; A461-D463 VanDerWaalsContact O-N 3.11Å; A461-H464 PolarHBondContact O-N 2.87Å; A461-H464 VanDerWaalsContact O-N 3.16Å; A461-L465 PolarHBondContact N-O 3.11Å; A461-Y467 HydrophobicContact CB-CD2 4.03Å; A461-Y467 HydrophobicContact CB-CE2 3.68Å
462G82.8Confident85.1Confident31 Ų3119.8 Ų19.832%0.3212%0.124SC..THydrogen-bonded Turntrans-61.5-1417900000115.2D444 H464D444-G462 PolarHBondContact O-N 3.44Å; G462-H464 PolarHBondContact O-N 2.86Å
463D83.3Confident85Confident34 Ų3420.5 Ų20.518%0.18213%0.126CC..THydrogen-bonded Turntrans-84.912.2175.267.8-4.7000114.3K439 G442 A461 L465 Y467K439-D463 IonicContact NZ-OD2 2.63Å; K439-D463 PolarHBondContact NZ-OD2 2.83Å; G442-D463 PolarHBondContact O-N 2.96Å; A461-D463 WeakPolarHBondContact CB-OD1 3.46Å; A461-D463 PolarHBondContact O-N 3.05Å; A461-D463 VanDerWaalsContact O-N 3.11Å; D463-L465 PolarHBondContact O-N 3.05Å; D463-L465 VanDerWaalsContact OD1-CB 3.31Å; D463-L465 WeakPolarHBondContact OD1-CB 3.44Å; D463-L465 WeakPolarHBondContact OD1-CG 3.29Å; D463-L465 PolarHBondContact OD1-N 2.92Å; D463-L465 VanDerWaalsContact OD2-CD1 3.26Å; D463-L465 WeakPolarHBondContact OD2-CD1 3.23Å; D463-Y467 PolarHBondContact OD2-OH 3.07Å
464H86.1Confident84.7Confident45 Ų4520 Ų2021%0.20814%0.142CC..SBendtrans66.918.2-179.9-37.3-69.4000114.6A461 G462 I483 H484 K486 E487A461-H464 PolarHBondContact O-N 2.87Å; A461-H464 VanDerWaalsContact O-N 3.16Å; G462-H464 PolarHBondContact O-N 2.86Å; H464-I483 PolarHBondContact O-N 3.36Å; H464-H484 WeakPolarHBondContact CB-O 3.3Å; H464-K486 PolarHBondContact CE1-O 3.21Å; H464-K486 PolarHBondContact ND1-O 2.85Å; H464-E487 PolarHBondContact CE1-N 3.22Å
465L87.9Confident84.4Confident30 Ų3020.5 Ų20.516%0.15715%0.147CC..EExtended strand (participates in β ladder)trans-102.8146.3178.7-54.6-179.9000112.5A461 D463 Y467 T480 M481 R482A461-L465 PolarHBondContact N-O 3.11Å; D463-L465 PolarHBondContact O-N 3.05Å; D463-L465 VanDerWaalsContact OD1-CB 3.31Å; D463-L465 WeakPolarHBondContact OD1-CB 3.44Å; D463-L465 WeakPolarHBondContact OD1-CG 3.29Å; D463-L465 PolarHBondContact OD1-N 2.92Å; D463-L465 VanDerWaalsContact OD2-CD1 3.26Å; D463-L465 WeakPolarHBondContact OD2-CD1 3.23Å; L465-Y467 HydrophobicContact CB-CD2 4.36Å; L465-Y467 HydrophobicContact CB-CE2 3.82Å; L465-T480 HydrophobicContact CB-CG2 3.72Å; L465-T480 HydrophobicContact CD1-CG2 3.52Å; L465-T480 HydrophobicContact CD2-CG2 4.44Å; L465-T480 HydrophobicContact CG-CG2 4.08Å; L465-M481 CarbonylContact C-O 3.6Å; L465-M481 VanDerWaalsContact CA-O 3.27Å; L465-M481 WeakPolarHBondContact CA-O 3.49Å; L465-R482 HydrophobicContact CD2-CB 3.74Å; L465-R482 HydrophobicContact CD2-CG 4.15Å
466L88.9Confident84.1Confident2 Ų225.4 Ų25.41%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-93.2122165.7-167.265.3000108.9P202 V460 T480 M481 I483 I500P202-L466 HydrophobicContact CG-CD2 3.72Å; V460-L466 HydrophobicContact CG2-CD1 3.79Å; L466-T480 VanDerWaalsContact O-CA 3.25Å; L466-T480 WeakPolarHBondContact O-CA 3.48Å; L466-M481 PolarHBondContact N-O 3.38Å; L466-M481 PolarHBondContact O-N 3.39Å; L466-I483 HydrophobicContact CB-CD1 3.43Å; L466-I483 VanDerWaalsContact CB-CD1 3.43Å; L466-I483 HydrophobicContact CB-CG1 3.68Å; L466-I483 HydrophobicContact CD1-CD1 3.98Å; L466-I483 HydrophobicContact CG-CD1 4.23Å; L466-I500 HydrophobicContact CD1-CD1 4.19Å; L466-I500 HydrophobicContact CD2-CD1 4.23Å; L466-I500 HydrophobicContact CD2-CG2 4.32Å
467Y88.8Confident83.9Confident3 Ų328.1 Ų28.11%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-99.1120.9173.1-70-94.4000109.5K439 F445 Y458 C459 A461 D463 L465 L477 T480K439-Y467 WeakPolarHBondContact CD-OH 2.97Å; K439-Y467 WeakPolarHBondContact CE-OH 3.28Å; K439-Y467 PolarHBondContact NZ-OH 3.28Å; F445-Y467 AromaticContact CE1-CD2 3.87Å; F445-Y467 HydrophobicContact CE1-CD2 3.87Å; F445-Y467 HydrophobicContact CE1-CE2 4.48Å; F445-Y467 AromaticContact CE1-CG 4Å; F445-Y467 HydrophobicContact CE1-CG 4Å; Y458-Y467 WeakPolarHBondContact CA-O 3.41Å; C459-Y467 PolarHBondContact N-O 3.26Å; C459-Y467 PolarHBondContact O-N 2.83Å; A461-Y467 HydrophobicContact CB-CD2 4.03Å; A461-Y467 HydrophobicContact CB-CE2 3.68Å; D463-Y467 PolarHBondContact OD2-OH 3.07Å; L465-Y467 HydrophobicContact CB-CD2 4.36Å; L465-Y467 HydrophobicContact CB-CE2 3.82Å; Y467-L477 HydrophobicContact CD1-CD1 3.7Å; Y467-L477 HydrophobicContact CD1-CD2 3.83Å; Y467-L477 HydrophobicContact CD1-CG 4.44Å; Y467-L477 HydrophobicContact CE1-CD2 4.12Å; Y467-L477 HydrophobicContact CG-CD1 4.36Å; Y467-T480 HydrophobicContact CD1-CG2 4.33Å; Y467-T480 HydrophobicContact CE1-CG2 4.05Å
468C88.9Confident83.5Confident0 Ų032.2 Ų32.20%020%0.201CC..EExtended strand (participates in β ladder)trans-107.7109.5179.1-550000109.6P201 W456 Y458 E478 R479P201-C468 HydrophobicContact CB-CB 4.37Å; W456-C468 HydrophobicContact CE3-CB 4.26Å; W456-C468 HydrophobicContact CZ3-CB 4.17Å; Y458-C468 HydrophobicContact CD1-CB 4.11Å; Y458-C468 HydrophobicContact CE1-CB 4.24Å; C468-E478 PolarHBondContact O-N 3.47Å; C468-R479 HydrophobicContact CB-CB 4.03Å; C468-R479 PolarHBondContact N-O 3.29Å
469F87.7Confident83.2Confident1 Ų136.6 Ų36.60%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-101.6129.8176.9-60.2-80.3000110.3F435 F445 W456 I457 C459 L477F435-F469 HydrophobicContact CB-CD1 3.84Å; F435-F469 HydrophobicContact CB-CD2 4.32Å; F435-F469 HydrophobicContact CB-CE1 3.89Å; F435-F469 HydrophobicContact CB-CE2 4.38Å; F435-F469 HydrophobicContact CB-CG 4.05Å; F435-F469 HydrophobicContact CB-CZ 4.18Å; F435-F469 HydrophobicContact CD1-CB 4.48Å; F435-F469 HydrophobicContact CD1-CD1 4.45Å; F435-F469 HydrophobicContact CG-CB 4.49Å; F435-F469 HydrophobicContact CG-CD1 4.35Å; F435-F469 HydrophobicContact CG-CG 4.31Å; F445-F469 HydrophobicContact CE1-CE2 4.42Å; F445-F469 AromaticContact CZ-CE2 3.93Å; F445-F469 HydrophobicContact CZ-CE2 3.93Å; F445-F469 AromaticContact CZ-CZ 3.97Å; F445-F469 HydrophobicContact CZ-CZ 3.97Å; W456-F469 WeakPolarHBondContact CA-O 3.46Å; I457-F469 HydrophobicContact CB-CB 4.33Å; I457-F469 PolarHBondContact N-O 2.9Å; I457-F469 PolarHBondContact O-N 2.91Å; C459-F469 HydrophobicContact CB-CE2 4.35Å; F469-L477 HydrophobicContact CD1-CB 3.98Å; F469-L477 HydrophobicContact CD1-CD1 4.02Å; F469-L477 HydrophobicContact CE1-CB 3.76Å; F469-L477 HydrophobicContact CE1-CD1 3.72Å; F469-L477 HydrophobicContact CE1-CG 4.25Å; F469-L477 HydrophobicContact CZ-CD1 3.98Å
470N85.5Confident83Confident20 Ų2039.5 Ų39.511%0.10724%0.236CC..EExtended strand (participates in β ladder)trans-90.8110.8173.8-173-23000109.8W456 A472 A473 G475 K476 E478W456-N470 HydrophobicContact CD2-CB 4.45Å; W456-N470 HydrophobicContact CE3-CB 4.08Å; W456-N470 HydrophobicContact CH2-CB 4.01Å; W456-N470 HydrophobicContact CZ2-CB 4.32Å; W456-N470 HydrophobicContact CZ3-CB 3.86Å; N470-A472 WeakPolarHBondContact OD1-CA 3.41Å; N470-A472 WeakPolarHBondContact OD1-CB 3.28Å; N470-A472 PolarHBondContact OD1-N 2.73Å; N470-A473 HydrophobicContact CB-CB 4.02Å; N470-A473 VanDerWaalsContact CG-CB 3.49Å; N470-A473 WeakPolarHBondContact ND2-CB 3.22Å; N470-A473 PolarHBondContact OD1-N 3.42Å; N470-G475 WeakPolarHBondContact O-CA 3.47Å; N470-G475 PolarHBondContact O-N 3.3Å; N470-K476 PolarHBondContact N-O 2.79Å; N470-E478 HydrophobicContact CB-CG 4.07Å; N470-E478 WeakPolarHBondContact CB-OE1 3.43Å; N470-E478 PolarHBondContact ND2-OE1 2.78Å
471V84.1Confident83Confident6 Ų641 Ų414%0.03624%0.243CC..THydrogen-bonded Turntrans-71.6-34.9179.1-176.90000111M406 I424 R433 F435 E455 I457M406-V471 HydrophobicContact CE-CG1 4.4Å; I424-V471 HydrophobicContact CD1-CG1 3.91Å; R433-V471 PolarHBondContact NH1-O 3.46Å; F435-V471 HydrophobicContact CZ-CG2 4.4Å; E455-V471 WeakPolarHBondContact O-CA 3.14Å; E455-V471 VanDerWaalsContact O-CB 3.27Å; E455-V471 WeakPolarHBondContact O-CB 3.2Å; E455-V471 PolarHBondContact O-N 3.22Å; I457-V471 HydrophobicContact CB-CG2 4.47Å; I457-V471 HydrophobicContact CD1-CG2 3.41Å; I457-V471 VanDerWaalsContact CD1-CG2 3.41Å; I457-V471 HydrophobicContact CG1-CG2 3.54Å
472A77.3Confident83Confident75 Ų7549.2 Ų49.262%0.6227%0.274SS*.THydrogen-bonded Turntrans-70.7-41179.200000111.7N470 G474N470-A472 WeakPolarHBondContact OD1-CA 3.41Å; N470-A472 WeakPolarHBondContact OD1-CB 3.28Å; N470-A472 PolarHBondContact OD1-N 2.73Å; A472-G474 PolarHBondContact O-N 3.32Å
473A75.1Confident83.1Confident50 Ų5048 Ų4841%0.41326%0.26SS..THydrogen-bonded Turntrans-82.228.2-179.100000114.3N470N470-A473 HydrophobicContact CB-CB 4.02Å; N470-A473 VanDerWaalsContact CG-CB 3.49Å; N470-A473 WeakPolarHBondContact ND2-CB 3.22Å; N470-A473 PolarHBondContact OD1-N 3.42Å
474G70.3Confident83.3Confident57 Ų5746.4 Ų46.459%0.58825%0.252SS*.THydrogen-bonded Turntrans81.712.2174.800000115.4A472A472-G474 PolarHBondContact O-N 3.32Å
475G73.4Confident83.1Confident14 Ų1451.9 Ų51.914%0.14428%0.278CS..SBendtrans90.415.1173.700000116.3F435 N470F435-G475 WeakPolarHBondContact CD1-O 3.42Å; N470-G475 WeakPolarHBondContact O-CA 3.47Å; N470-G475 PolarHBondContact O-N 3.3Å
476K77.3Confident83Confident152 Ų15255.9 Ų55.966%0.66129%0.294SS*.  trans-69.3140178.8-65.9-176.7-178.9179.10110.1N470 E478N470-K476 PolarHBondContact N-O 2.79Å; K476-E478 PolarHBondContact O-N 3.13Å
477L82Confident82.8Confident66 Ų6661.2 Ų61.235%0.34632%0.318SS..EExtended strand (participates in β ladder)trans-69.2109.8165.7178.963.3000107.7Y467 F469 R479Y467-L477 HydrophobicContact CD1-CD1 3.7Å; Y467-L477 HydrophobicContact CD1-CD2 3.83Å; Y467-L477 HydrophobicContact CD1-CG 4.44Å; Y467-L477 HydrophobicContact CE1-CD2 4.12Å; Y467-L477 HydrophobicContact CG-CD1 4.36Å; F469-L477 HydrophobicContact CD1-CB 3.98Å; F469-L477 HydrophobicContact CD1-CD1 4.02Å; F469-L477 HydrophobicContact CE1-CB 3.76Å; F469-L477 HydrophobicContact CE1-CD1 3.72Å; F469-L477 HydrophobicContact CE1-CG 4.25Å; F469-L477 HydrophobicContact CZ-CD1 3.98Å; L477-R479 WeakPolarHBondContact CD1-O 3.14Å
478E81.5Confident82.7Confident87 Ų8761.1 Ų61.141%0.40732%0.318SS..EExtended strand (participates in β ladder)trans-92.4-32.2-179-71.9-160.6-161.600112.5W456 C468 N470 K476W456-E478 HydrophobicContact CH2-CB 4.15Å; W456-E478 VanDerWaalsContact CH2-CD 3.46Å; W456-E478 HydrophobicContact CH2-CG 4.19Å; W456-E478 WeakPolarHBondContact CH2-OE2 3.26Å; W456-E478 HydrophobicContact CZ3-CB 4.04Å; W456-E478 HydrophobicContact CZ3-CG 4.28Å; C468-E478 PolarHBondContact O-N 3.47Å; N470-E478 HydrophobicContact CB-CG 4.07Å; N470-E478 WeakPolarHBondContact CB-OE1 3.43Å; N470-E478 PolarHBondContact ND2-OE1 2.78Å; K476-E478 PolarHBondContact O-N 3.13Å
479R82.2Confident82.7Confident95 Ų9563.2 Ų63.236%0.35833%0.329SS..EExtended strand (participates in β ladder)trans-147.2142.3-173.5-150.6155.3-57.5-147.94.5112.5P201 C468 L477 M481P201-R479 HydrophobicContact CB-CB 4.49Å; C468-R479 HydrophobicContact CB-CB 4.03Å; C468-R479 PolarHBondContact N-O 3.29Å; L477-R479 WeakPolarHBondContact CD1-O 3.14Å; R479-M481 HydrophobicContact CG-CG 4.15Å
480T85.6Confident82.8Confident62 Ų6263.1 Ų63.138%0.3833%0.329SS..EExtended strand (participates in β ladder)trans-128.3129.8169.1-51.20000108.2L465 L466 Y467L465-T480 HydrophobicContact CB-CG2 3.72Å; L465-T480 HydrophobicContact CD1-CG2 3.52Å; L465-T480 HydrophobicContact CD2-CG2 4.44Å; L465-T480 HydrophobicContact CG-CG2 4.08Å; L466-T480 VanDerWaalsContact O-CA 3.25Å; L466-T480 WeakPolarHBondContact O-CA 3.48Å; Y467-T480 HydrophobicContact CD1-CG2 4.33Å; Y467-T480 HydrophobicContact CE1-CG2 4.05Å
481M87.3Confident83.1Confident32 Ų3262.5 Ų62.516%0.15833%0.326CS..EExtended strand (participates in β ladder)trans-134.5138-178.7-72.3-178.559.100111.5T203 L465 L466 R479 W512T203-M481 WeakPolarHBondContact O-CE 3.46Å; L465-M481 CarbonylContact C-O 3.6Å; L465-M481 VanDerWaalsContact CA-O 3.27Å; L465-M481 WeakPolarHBondContact CA-O 3.49Å; L466-M481 PolarHBondContact N-O 3.38Å; L466-M481 PolarHBondContact O-N 3.39Å; R479-M481 HydrophobicContact CG-CG 4.15Å; M481-W512 HydrophobicContact CE-CE3 3.67Å; M481-W512 HydrophobicContact CE-CZ3 3.67Å
482R87.3Confident83.5Confident171 Ų17162.7 Ų62.765%0.64533%0.328SS*.EExtended strand (participates in β ladder)trans-77.8125.5172-169.4174.1-176.4173.62.2110.2L465L465-R482 HydrophobicContact CD2-CB 3.74Å; L465-R482 HydrophobicContact CD2-CG 4.15Å
483I85.8Confident84.1Confident5 Ų560.1 Ų60.13%0.02630%0.303CS..  trans-103-56.5-169.9-41.6174.3000111.1V460 H464 L466 T502 K510 W512V460-I483 HydrophobicContact CG2-CD1 4.16Å; H464-I483 PolarHBondContact O-N 3.36Å; L466-I483 HydrophobicContact CB-CD1 3.43Å; L466-I483 VanDerWaalsContact CB-CD1 3.43Å; L466-I483 HydrophobicContact CB-CG1 3.68Å; L466-I483 HydrophobicContact CD1-CD1 3.98Å; L466-I483 HydrophobicContact CG-CD1 4.23Å; I483-T502 HydrophobicContact CD1-CG2 3.99Å; I483-T502 HydrophobicContact CG2-CG2 3.73Å; I483-T502 WeakPolarHBondContact CG2-OG1 3.29Å; I483-K510 VanDerWaalsContact O-CD 3.28Å; I483-K510 WeakPolarHBondContact O-CD 3.42Å; I483-K510 PolarHBondContact O-NZ 2.98Å; I483-W512 HydrophobicContact CB-CZ2 4.14Å; I483-W512 HydrophobicContact CG2-CZ2 3.44Å; I483-W512 VanDerWaalsContact CG2-CZ2 3.44Å
484H85.8Confident84.8Confident2 Ų257.9 Ų57.91%0.00928%0.284CS..  trans-127.6169.9-174.7-69.4-94000111H464 V488 T502 S504 D506 L508H464-H484 WeakPolarHBondContact CB-O 3.3Å; H484-V488 HydrophobicContact CB-CG2 3.89Å; H484-T502 PolarHBondContact NE2-O 2.78Å; H484-T502 PolarHBondContact NE2-OG1 2.75Å; H484-S504 VanDerWaalsContact CG-CB 3.45Å; H484-S504 WeakPolarHBondContact ND1-CB 3.18Å; H484-D506 IonicContact CE1-OD1 3.62Å; H484-D506 IonicContact CE1-OD2 2.73Å; H484-D506 IonicContact CG-OD2 2.72Å; H484-D506 IonicContact ND1-OD1 2.79Å; H484-D506 PolarHBondContact ND1-OD1 3.01Å; H484-D506 IonicContact ND1-OD2 3.73Å; H484-D506 PolarHBondContact ND1-OD2 2.87Å; H484-L508 PolarHBondContact CE1-O 3.16Å; H484-L508 VanDerWaalsContact CE1-O 3.31Å
485E82.6Confident85.4Confident160 Ų16057.4 Ų57.475%0.74827%0.271SS*.SBendtrans-96.5-20.5175.4-65.8179.9179.700112.2
486K85.1Confident85.7Confident113 Ų11361.6 Ų61.649%0.49129%0.286SS..SBendtrans-111.3174.5174.9-65.9-164.4-174.3178.60111.6H464 V488 S504 E505 D506H464-K486 PolarHBondContact CE1-O 3.21Å; H464-K486 PolarHBondContact ND1-O 2.85Å; K486-V488 PolarHBondContact O-N 3.03Å; K486-S504 PolarHBondContact O-OG 3.4Å; K486-E505 HydrophobicContact CD-CB 4.45Å; K486-D506 HydrophobicContact CB-CB 4.13Å; K486-D506 HydrophobicContact CD-CB 4Å; K486-D506 HydrophobicContact CG-CB 4.06Å
487E84.9Confident85.9Confident114 Ų11458 Ų5853%0.53327%0.272SS..  trans-53.9129.9176.8-64.2-165.8-179.100111H464 S504 E505H464-E487 PolarHBondContact CE1-N 3.22Å; E487-S504 WeakPolarHBondContact O-CA 3.27Å; E487-S504 VanDerWaalsContact O-CB 3.31Å; E487-S504 WeakPolarHBondContact O-CB 3.49Å; E487-S504 PolarHBondContact O-OG 2.75Å; E487-E505 PolarHBondContact O-N 3.07Å; E487-E505 VanDerWaalsContact O-N 3.13Å
488V88.2Confident86Confident2 Ų255.9 Ų55.91%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-92.6127.5-178.3-173.50000107.3L446 V460 H484 K486 Y503L446-V488 WeakPolarHBondContact CD1-O 3.22Å; V460-V488 HydrophobicContact CB-CG1 4.43Å; V460-V488 HydrophobicContact CG1-CB 3.4Å; V460-V488 VanDerWaalsContact CG1-CB 3.4Å; V460-V488 HydrophobicContact CG1-CG1 3.36Å; V460-V488 HydrophobicContact CG1-CG2 4.19Å; V460-V488 HydrophobicContact CG2-CG1 4.28Å; H484-V488 HydrophobicContact CB-CG2 3.89Å; K486-V488 PolarHBondContact O-N 3.03Å; V488-Y503 VanDerWaalsContact CG1-O 3.29Å; V488-Y503 WeakPolarHBondContact CG1-O 3.43Å
489I87.7Confident86.2Confident43 Ų4351.9 Ų51.922%0.22124%0.242CC..EExtended strand (participates in β ladder)trans-84.4-42.3-174.5-62.2165000109.7H216 V217 E218 Y503 E505H216-I489 VanDerWaalsContact CD2-CD1 3.5Å; H216-I489 WeakPolarHBondContact CD2-CD1 3.5Å; V217-I489 WeakPolarHBondContact O-CD1 3.44Å; E218-I489 WeakPolarHBondContact O-CG2 3.23Å; I489-Y503 HydrophobicContact CB-CD2 3.88Å; I489-Y503 HydrophobicContact CB-CE2 3.91Å; I489-Y503 HydrophobicContact CG2-CD2 4.21Å; I489-Y503 HydrophobicContact CG2-CE2 3.79Å; I489-Y503 PolarHBondContact N-O 3.05Å; I489-E505 HydrophobicContact CD1-CG 3.85Å; I489-E505 HydrophobicContact CG1-CG 4.01Å
490G89.6Confident86.7Confident0 Ų047.5 Ų47.50%023%0.226CC..EExtended strand (participates in β ladder)trans-172.3-174.3178.600000115.4D447 Y503D447-G490 VanDerWaalsContact OD2-CA 3.3Å; D447-G490 WeakPolarHBondContact OD2-CA 3.41Å; G490-Y503 VanDerWaalsContact CA-CZ 3.48Å; G490-Y503 PolarHBondContact N-O 3.33Å; G490-Y503 WeakPolarHBondContact O-CD1 3.24Å; G490-Y503 WeakPolarHBondContact O-CE1 3.49Å; G490-Y503 PolarHBondContact O-N 3.03Å
491C92Very high87Confident7 Ų744.5 Ų44.55%0.04721%0.208CC..EExtended strand (participates in β ladder)trans-141.8152.4-178.362.10000112.8D447 T449 V460 I500 A501 T502D447-C491 PolarHBondContact OD2-N 3.14Å; T449-C491 HydrophobicContact CG2-CB 4.28Å; T449-C491 VanDerWaalsContact CG2-SG 3.55Å; V460-C491 HydrophobicContact CG2-CB 3.74Å; C491-I500 HydrophobicContact CB-CD1 4.32Å; C491-I500 HydrophobicContact CB-CG1 4.47Å; C491-A501 CarbonylContact C-O 3.59Å; C491-A501 VanDerWaalsContact CA-O 3.23Å; C491-A501 WeakPolarHBondContact CA-O 3.33Å; C491-T502 HydrophobicContact CB-CG2 4.36Å
492A91.8Very high87.2Confident10 Ų1043 Ų438%0.08320%0.2CC..EExtended strand (participates in β ladder)trans-140.4135.4176.500000110.6A220 F222 I500 A501A220-A492 WeakPolarHBondContact O-CB 3.45Å; F222-A492 HydrophobicContact CD2-CB 4.07Å; F222-A492 HydrophobicContact CE2-CB 4.24Å; F222-A492 WeakPolarHBondContact CE2-O 2.89Å; A492-I500 CarbonylContact O-C 3.57Å; A492-I500 WeakPolarHBondContact O-CA 3.09Å; A492-A501 HydrophobicContact CB-CB 4.47Å; A492-A501 PolarHBondContact N-O 3.2Å; A492-A501 PolarHBondContact O-N 2.78Å
493H91Very high87.4Confident20 Ų2035.8 Ų35.89%0.09317%0.173CC..EExtended strand (participates in β ladder)trans-98.2144.7176.2-172.8-91.1000111.7F222 T449 L450 G452 Y458 Q497 L499F222-H493 WeakPolarHBondContact CD2-O 3.23Å; T449-H493 HydrophobicContact CG2-CB 4.12Å; L450-H493 WeakPolarHBondContact O-CB 3.13Å; G452-H493 PolarHBondContact N-CE1 2.77Å; G452-H493 PolarHBondContact N-ND1 3.01Å; Y458-H493 AromaticContact CE2-CD2 3.63Å; H493-Q497 PolarHBondContact CE1-O 3.39Å; H493-L499 PolarHBondContact CD2-O 2.82Å
494H88.7Confident87.6Confident3 Ų335.6 Ų35.61%0.01417%0.172CC..  trans-76.4132.7176.5-173.6-84.6000111.4F222 G226 F243 H496 Q497 L499F222-H494 HydrophobicContact CD1-CB 4.45Å; F222-H494 AromaticContact CD1-CD2 3.58Å; F222-H494 HydrophobicContact CD2-CB 4.34Å; F222-H494 HydrophobicContact CE1-CB 4.43Å; F222-H494 AromaticContact CE1-CD2 3.8Å; F222-H494 HydrophobicContact CE2-CB 4.32Å; F222-H494 HydrophobicContact CG-CB 4.38Å; F222-H494 HydrophobicContact CZ-CB 4.35Å; G226-H494 WeakPolarHBondContact CA-NE2 3.23Å; G226-H494 PolarHBondContact O-NE2 3.35Å; F243-H494 AromaticContact CE1-NE2 3.98Å; F243-H494 AromaticContact CZ-NE2 3.68Å; H494-H496 VanDerWaalsContact C-N 3.25Å; H494-H496 PolarHBondContact ND1-N 3.36Å; H494-H496 VanDerWaalsContact ND1-N 3.16Å; H494-H496 PolarHBondContact O-N 2.62Å; H494-H496 VanDerWaalsContact O-N 3.1Å; H494-Q497 PolarHBondContact ND1-N 3.47Å; H494-L499 HydrophobicContact CB-CB 3.81Å; H494-L499 HydrophobicContact CB-CD2 4.29Å; H494-L499 PolarHBondContact N-O 3.32Å
495P82.9Confident87.6Confident48 Ų4839.6 Ų39.631%0.31219%0.191SC..SBendtrans-61.2-27.3-173.4-27.135.3000115.8S223S223-P495 WeakPolarHBondContact O-CG 3.38Å
496H80.3Confident87.7Confident102 Ų10233.8 Ų33.847%0.47217%0.165SC..SBendtrans-123.2-9.7-170-58-48000116P224 H494P224-H496 PolarHBondContact O-NE2 3.42Å; P224-H496 VanDerWaalsContact O-NE2 3.09Å; H494-H496 VanDerWaalsContact C-N 3.25Å; H494-H496 PolarHBondContact ND1-N 3.36Å; H494-H496 VanDerWaalsContact ND1-N 3.16Å; H494-H496 PolarHBondContact O-N 2.62Å; H494-H496 VanDerWaalsContact O-N 3.1Å
497Q81.5Confident87.6Confident77 Ų7728.7 Ų28.736%0.3614%0.144SC..SBendtrans-130.9151.3-175.1-68.5-174.41.600107.4H493 H494 L499H493-Q497 PolarHBondContact CE1-O 3.39Å; H494-Q497 PolarHBondContact ND1-N 3.47Å; Q497-L499 HydrophobicContact CB-CB 4.43Å; Q497-L499 PolarHBondContact O-N 3.09Å
498N84Confident87.7Confident21 Ų2124.6 Ų24.611%0.11213%0.126CC..SBendtrans-7479.4171.7-63.3-30.8000108.9E198 P514E198-N498 PolarHBondContact O-ND2 3.06Å; N498-P514 HydrophobicContact CB-CG 3.83Å; N498-P514 WeakPolarHBondContact O-CD 3.37Å
499L86.9Confident87.8Confident2 Ų224.5 Ų24.51%0.0113%0.126CC..  trans-141.7128.1-177-177.979000108.3F222 F243 H493 H494 Q497 L511 W512 K513F222-L499 HydrophobicContact CE1-CD2 4.09Å; F222-L499 HydrophobicContact CZ-CD2 3.95Å; F222-L499 HydrophobicContact CZ-CG 4.49Å; F243-L499 HydrophobicContact CB-CD2 4.5Å; F243-L499 HydrophobicContact CD2-CD2 3.55Å; F243-L499 HydrophobicContact CE2-CD2 4.13Å; F243-L499 HydrophobicContact CG-CD2 4.29Å; H493-L499 PolarHBondContact CD2-O 2.82Å; H494-L499 HydrophobicContact CB-CB 3.81Å; H494-L499 HydrophobicContact CB-CD2 4.29Å; H494-L499 PolarHBondContact N-O 3.32Å; Q497-L499 HydrophobicContact CB-CB 4.43Å; Q497-L499 PolarHBondContact O-N 3.09Å; L499-L511 HydrophobicContact CD1-CB 4.24Å; L499-L511 HydrophobicContact CD1-CD2 4.46Å; L499-L511 HydrophobicContact CD2-CD2 4.08Å; L499-L511 HydrophobicContact CG-CD2 4.19Å; L499-W512 WeakPolarHBondContact CA-O 3.22Å; L499-K513 HydrophobicContact CD1-CD 4.23Å; L499-K513 HydrophobicContact CD1-CG 3.43Å; L499-K513 VanDerWaalsContact CD1-CG 3.43Å
500I91.2Very high87.9Confident3 Ų324 Ų242%0.01512%0.121CC..EExtended strand (participates in β ladder)trans-119.1131.3175-168.6165.1000110.1P202 T449 Y458 L466 C491 A492 L511 W512P202-I500 HydrophobicContact CB-CG2 4Å; P202-I500 HydrophobicContact CG-CG2 4Å; T449-I500 HydrophobicContact CG2-CD1 3.82Å; T449-I500 HydrophobicContact CG2-CG1 4.43Å; Y458-I500 VanDerWaalsContact CB-CD1 3.49Å; Y458-I500 HydrophobicContact CD1-CD1 4.2Å; Y458-I500 HydrophobicContact CD2-CD1 3.77Å; Y458-I500 HydrophobicContact CG-CD1 3.55Å; L466-I500 HydrophobicContact CD1-CD1 4.19Å; L466-I500 HydrophobicContact CD2-CD1 4.23Å; L466-I500 HydrophobicContact CD2-CG2 4.32Å; C491-I500 HydrophobicContact CB-CD1 4.32Å; C491-I500 HydrophobicContact CB-CG1 4.47Å; A492-I500 CarbonylContact O-C 3.57Å; A492-I500 WeakPolarHBondContact O-CA 3.09Å; I500-L511 CarbonylContact O-C 3.41Å; I500-L511 WeakPolarHBondContact O-CA 3.31Å; I500-W512 HydrophobicContact CG2-CB 3.67Å; I500-W512 HydrophobicContact CG2-CG 4.19Å; I500-W512 PolarHBondContact N-O 3.04Å; I500-W512 PolarHBondContact O-N 3.35Å
501A91.6Very high88Confident0 Ų024 Ų240%012%0.121CC..EExtended strand (participates in β ladder)trans-96.4135.3170.300000109.2F222 L229 C491 A492 V509 K510 L511F222-A501 HydrophobicContact CE2-CB 3.64Å; F222-A501 HydrophobicContact CZ-CB 3.81Å; L229-A501 HydrophobicContact CD1-CB 4.48Å; C491-A501 CarbonylContact C-O 3.59Å; C491-A501 VanDerWaalsContact CA-O 3.23Å; C491-A501 WeakPolarHBondContact CA-O 3.33Å; A492-A501 HydrophobicContact CB-CB 4.47Å; A492-A501 PolarHBondContact N-O 3.2Å; A492-A501 PolarHBondContact O-N 2.78Å; A501-V509 HydrophobicContact CB-CG1 4.33Å; A501-K510 CarbonylContact C-O 3.52Å; A501-K510 WeakPolarHBondContact CA-O 3.38Å; A501-L511 HydrophobicContact CB-CD2 3.5Å; A501-L511 VanDerWaalsContact CB-CD2 3.5Å
502T92.2Very high87.8Confident0 Ų024.6 Ų24.60%012%0.123CC..EExtended strand (participates in β ladder)trans-127.4138.2174.460.10000108.2I483 H484 C491 V509 K510 W512I483-T502 HydrophobicContact CD1-CG2 3.99Å; I483-T502 HydrophobicContact CG2-CG2 3.73Å; I483-T502 WeakPolarHBondContact CG2-OG1 3.29Å; H484-T502 PolarHBondContact NE2-O 2.78Å; H484-T502 PolarHBondContact NE2-OG1 2.75Å; C491-T502 HydrophobicContact CB-CG2 4.36Å; T502-V509 CarbonylContact O-C 3.53Å; T502-V509 VanDerWaalsContact O-CA 3.3Å; T502-V509 WeakPolarHBondContact O-CA 3.43Å; T502-K510 PolarHBondContact N-O 3.2Å; T502-K510 PolarHBondContact O-N 3.38Å; T502-K510 PolarHBondContact OG1-O 3.31Å; T502-W512 PolarHBondContact OG1-NE1 2.79Å
503Y92.3Very high87.5Confident20 Ų2027.8 Ų27.88%0.07814%0.135CC..EExtended strand (participates in β ladder)trans-134.1144.8-177.351.7-87.2000110.5V217 E218 A220 V488 I489 G490V217-Y503 HydrophobicContact CG1-CD2 4.2Å; V217-Y503 HydrophobicContact CG1-CG 4.29Å; V217-Y503 WeakPolarHBondContact O-CD2 3.27Å; E218-Y503 WeakPolarHBondContact O-CE2 3.25Å; A220-Y503 HydrophobicContact CB-CD1 3.48Å; A220-Y503 VanDerWaalsContact CB-CD1 3.48Å; A220-Y503 HydrophobicContact CB-CE1 3.62Å; A220-Y503 HydrophobicContact CB-CG 4.19Å; V488-Y503 VanDerWaalsContact CG1-O 3.29Å; V488-Y503 WeakPolarHBondContact CG1-O 3.43Å; I489-Y503 HydrophobicContact CB-CD2 3.88Å; I489-Y503 HydrophobicContact CB-CE2 3.91Å; I489-Y503 HydrophobicContact CG2-CD2 4.21Å; I489-Y503 HydrophobicContact CG2-CE2 3.79Å; I489-Y503 PolarHBondContact N-O 3.05Å; G490-Y503 VanDerWaalsContact CA-CZ 3.48Å; G490-Y503 PolarHBondContact N-O 3.33Å; G490-Y503 WeakPolarHBondContact O-CD1 3.24Å; G490-Y503 WeakPolarHBondContact O-CE1 3.49Å; G490-Y503 PolarHBondContact O-N 3.03Å
504S89.4Confident87Confident0 Ų029.8 Ų29.80%015%0.15CC..EExtended strand (participates in β ladder)trans-142.4163.6-168.1169.50000111.2H484 K486 E487 D506 G507 L508H484-S504 VanDerWaalsContact CG-CB 3.45Å; H484-S504 WeakPolarHBondContact ND1-CB 3.18Å; K486-S504 PolarHBondContact O-OG 3.4Å; E487-S504 WeakPolarHBondContact O-CA 3.27Å; E487-S504 VanDerWaalsContact O-CB 3.31Å; E487-S504 WeakPolarHBondContact O-CB 3.49Å; E487-S504 PolarHBondContact O-OG 2.75Å; S504-D506 VanDerWaalsContact CB-OD1 3.29Å; S504-D506 WeakPolarHBondContact CB-OD1 3.44Å; S504-D506 PolarHBondContact O-N 3.44Å; S504-D506 PolarHBondContact OG-N 2.78Å; S504-G507 PolarHBondContact O-N 3.38Å; S504-G507 VanDerWaalsContact O-N 3.09Å; S504-L508 PolarHBondContact N-O 3.45Å
505E85.6Confident86.9Confident86 Ų8631.1 Ų31.140%0.40216%0.156SC..THydrogen-bonded Turntrans-60.9-6.5170.7-65.3-169.8163.800114.1K486 E487 I489 G507K486-E505 HydrophobicContact CD-CB 4.45Å; E487-E505 PolarHBondContact O-N 3.07Å; E487-E505 VanDerWaalsContact O-N 3.13Å; I489-E505 HydrophobicContact CD1-CG 3.85Å; I489-E505 HydrophobicContact CG1-CG 4.01Å; E505-G507 PolarHBondContact O-N 3.03Å
506D83.9Confident87.1Confident39 Ų3930.2 Ų30.221%0.20915%0.148CC..THydrogen-bonded Turntrans-73.8-5.4170.265.66.1000113.6H484 K486 S504 L508H484-D506 IonicContact CE1-OD1 3.62Å; H484-D506 IonicContact CE1-OD2 2.73Å; H484-D506 IonicContact CG-OD2 2.72Å; H484-D506 IonicContact ND1-OD1 2.79Å; H484-D506 PolarHBondContact ND1-OD1 3.01Å; H484-D506 IonicContact ND1-OD2 3.73Å; H484-D506 PolarHBondContact ND1-OD2 2.87Å; K486-D506 HydrophobicContact CB-CB 4.13Å; K486-D506 HydrophobicContact CD-CB 4Å; K486-D506 HydrophobicContact CG-CB 4.06Å; S504-D506 VanDerWaalsContact CB-OD1 3.29Å; S504-D506 WeakPolarHBondContact CB-OD1 3.44Å; S504-D506 PolarHBondContact O-N 3.44Å; S504-D506 PolarHBondContact OG-N 2.78Å; D506-L508 HydrophobicContact CB-CG 4.37Å; D506-L508 PolarHBondContact O-N 3.11Å; D506-L508 WeakPolarHBondContact OD1-CA 3.34Å; D506-L508 VanDerWaalsContact OD1-CB 3.24Å; D506-L508 WeakPolarHBondContact OD1-CB 3.48Å; D506-L508 PolarHBondContact OD1-N 3.3Å
507G83Confident87.5Confident6 Ų626.2 Ų26.26%0.06213%0.13CC..SBendtrans75.114.3-177.500000113.1V211 S504 E505V211-G507 PolarHBondContact N-O 3.4Å; V211-G507 VanDerWaalsContact N-O 3.11Å; S504-G507 PolarHBondContact O-N 3.38Å; S504-G507 VanDerWaalsContact O-N 3.09Å; E505-G507 PolarHBondContact O-N 3.03Å
508L88.1Confident87.9Confident28 Ų2823.2 Ų23.215%0.14712%0.117CC..EExtended strand (participates in β ladder)trans-106.2137.8178.3-51.6179.3000110.2V208 R210 H484 S504 D506V208-L508 HydrophobicContact CG1-CB 4.44Å; V208-L508 HydrophobicContact CG1-CD2 4.31Å; R210-L508 HydrophobicContact CB-CD2 4.36Å; R210-L508 HydrophobicContact CG-CD2 3.74Å; H484-L508 PolarHBondContact CE1-O 3.16Å; H484-L508 VanDerWaalsContact CE1-O 3.31Å; S504-L508 PolarHBondContact N-O 3.45Å; D506-L508 HydrophobicContact CB-CG 4.37Å; D506-L508 PolarHBondContact O-N 3.11Å; D506-L508 WeakPolarHBondContact OD1-CA 3.34Å; D506-L508 VanDerWaalsContact OD1-CB 3.24Å; D506-L508 WeakPolarHBondContact OD1-CB 3.48Å; D506-L508 PolarHBondContact OD1-N 3.3Å
509V90.3Very high88.1Confident0 Ų023.4 Ų23.40%012%0.117CC..EExtended strand (participates in β ladder)trans-109.9113.3163.4-173.70000107.7I209 V211 V217 L229 T231 A501 T502I209-V509 HydrophobicContact CB-CB 4.12Å; I209-V509 PolarHBondContact N-O 2.8Å; I209-V509 PolarHBondContact O-N 3.5Å; V211-V509 HydrophobicContact CG2-CG2 4.45Å; V217-V509 HydrophobicContact CB-CG2 4.36Å; V217-V509 HydrophobicContact CG1-CG2 4.46Å; V217-V509 HydrophobicContact CG2-CG2 3.89Å; L229-V509 HydrophobicContact CD2-CG1 4.46Å; T231-V509 HydrophobicContact CG2-CG2 4.19Å; A501-V509 HydrophobicContact CB-CG1 4.33Å; T502-V509 CarbonylContact O-C 3.53Å; T502-V509 VanDerWaalsContact O-CA 3.3Å; T502-V509 WeakPolarHBondContact O-CA 3.43Å
510K90.3Very high88.2Confident31 Ų3124.8 Ų24.814%0.13512%0.124CC..EExtended strand (participates in β ladder)trans-101134.5-179-67.3-177.7-172.5179.90109.8L205 V208 I483 A501 T502 W512L205-K510 HydrophobicContact CD1-CB 3.78Å; L205-K510 HydrophobicContact CD1-CD 4.22Å; L205-K510 HydrophobicContact CD1-CG 4.12Å; V208-K510 HydrophobicContact CG1-CG 4.34Å; V208-K510 HydrophobicContact CG2-CG 4.31Å; I483-K510 VanDerWaalsContact O-CD 3.28Å; I483-K510 WeakPolarHBondContact O-CD 3.42Å; I483-K510 PolarHBondContact O-NZ 2.98Å; A501-K510 CarbonylContact C-O 3.52Å; A501-K510 WeakPolarHBondContact CA-O 3.38Å; T502-K510 PolarHBondContact N-O 3.2Å; T502-K510 PolarHBondContact O-N 3.38Å; T502-K510 PolarHBondContact OG1-O 3.31Å; K510-W512 HydrophobicContact CB-CZ2 4.06Å; K510-W512 HydrophobicContact CD-CZ2 3.84Å
511L90.2Very high88Confident0 Ų026.4 Ų26.40%013%0.132CC..EExtended strand (participates in β ladder)trans-112.2123-179.4-74.1167.7000110S206 T207 I209 F222 L229 F243 L499 I500 A501S206-L511 PolarHBondContact N-O 3.17Å; S206-L511 PolarHBondContact OG-O 3.33Å; T207-L511 PolarHBondContact N-O 2.63Å; T207-L511 PolarHBondContact O-N 3.47Å; T207-L511 VanDerWaalsContact OG1-CB 3.32Å; T207-L511 WeakPolarHBondContact OG1-CB 3.41Å; T207-L511 WeakPolarHBondContact OG1-CD1 3.32Å; I209-L511 HydrophobicContact CD1-CD1 3.93Å; F222-L511 HydrophobicContact CE1-CD2 4.42Å; F222-L511 HydrophobicContact CZ-CD2 3.69Å; L229-L511 HydrophobicContact CD2-CD1 4.24Å; L229-L511 HydrophobicContact CD2-CD2 4.2Å; F243-L511 HydrophobicContact CB-CD1 3.86Å; F243-L511 VanDerWaalsContact O-CD1 3.26Å; F243-L511 WeakPolarHBondContact O-CD1 3.31Å; L499-L511 HydrophobicContact CD1-CB 4.24Å; L499-L511 HydrophobicContact CD1-CD2 4.46Å; L499-L511 HydrophobicContact CD2-CD2 4.08Å; L499-L511 HydrophobicContact CG-CD2 4.19Å; I500-L511 CarbonylContact O-C 3.41Å; I500-L511 WeakPolarHBondContact O-CA 3.31Å; A501-L511 HydrophobicContact CB-CD2 3.5Å; A501-L511 VanDerWaalsContact CB-CD2 3.5Å
512W88.4Confident87.7Confident20 Ų2028.4 Ų28.48%0.07614%0.142CC..EExtended strand (participates in β ladder)trans-114.6132.1-173.3-49.282.2000111P202 K204 L205 M481 I483 L499 I500 T502 K510P202-W512 HydrophobicContact CB-CB 3.74Å; K204-W512 WeakPolarHBondContact O-CA 3.26Å; L205-W512 HydrophobicContact CB-CE3 4.04Å; L205-W512 HydrophobicContact CB-CH2 4.39Å; L205-W512 HydrophobicContact CB-CZ3 3.85Å; L205-W512 HydrophobicContact CD1-CD2 4.09Å; L205-W512 HydrophobicContact CD1-CE3 4.17Å; L205-W512 HydrophobicContact CD1-CH2 4.05Å; L205-W512 HydrophobicContact CD1-CZ2 3.93Å; L205-W512 HydrophobicContact CD1-CZ3 4.16Å; M481-W512 HydrophobicContact CE-CE3 3.67Å; M481-W512 HydrophobicContact CE-CZ3 3.67Å; I483-W512 HydrophobicContact CB-CZ2 4.14Å; I483-W512 HydrophobicContact CG2-CZ2 3.44Å; I483-W512 VanDerWaalsContact CG2-CZ2 3.44Å; L499-W512 WeakPolarHBondContact CA-O 3.22Å; I500-W512 HydrophobicContact CG2-CB 3.67Å; I500-W512 HydrophobicContact CG2-CG 4.19Å; I500-W512 PolarHBondContact N-O 3.04Å; I500-W512 PolarHBondContact O-N 3.35Å; T502-W512 PolarHBondContact OG1-NE1 2.79Å; K510-W512 HydrophobicContact CB-CZ2 4.06Å; K510-W512 HydrophobicContact CD-CZ2 3.84Å
513K85.4Confident87.3Confident77 Ų7730.8 Ų30.834%0.33515%0.154SC..EExtended strand (participates in β ladder)trans-112.7156175.3-73-174.5-180-174.80110T203 K204 L499T203-K513 PolarHBondContact N-O 2.85Å; K204-K513 PolarHBondContact N-O 3.1Å; K204-K513 PolarHBondContact O-N 2.74Å; L499-K513 HydrophobicContact CD1-CD 4.23Å; L499-K513 HydrophobicContact CD1-CG 3.43Å; L499-K513 VanDerWaalsContact CD1-CG 3.43Å
514P80.8Confident86.9Confident62 Ų6231.7 Ų31.740%0.40316%0.161SC..  trans-60.40173.726.8-36.4000113.7K200 P201 T203 N498K200-P514 HydrophobicContact CB-CB 3.54Å; K200-P514 HydrophobicContact CB-CG 4.34Å; P201-P514 WeakPolarHBondContact O-CA 3.16Å; T203-P514 WeakPolarHBondContact CB-OXT 3.48Å; T203-P514 VanDerWaalsContact CG2-OXT 3.22Å; T203-P514 WeakPolarHBondContact CG2-OXT 3.47Å; T203-P514 VanDerWaalsContact OG1-C 3.28Å; T203-P514 PolarHBondContact OG1-OXT 3.23Å; N498-P514 HydrophobicContact CB-CG 3.83Å; N498-P514 WeakPolarHBondContact O-CD 3.37Å

Retrieved 514 of 514 residues in 2188.7 ms (Link to these results)

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