A0A087XYE5_POEFO Loading...

DnaJ homolog subfamily C member 17

May negatively affect PAX8-induced thyroglobulin/TG transcription.

AlphaFold DB , UniProt , Accession A0A087XYE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 313 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
1M49.6Very low75Confident202 Ų20292.1 Ų92.1100%0.99549%0.491SS*.  0114.90-71.2-80.2-102.800107.4L9M1-L9 HydrophobicContact CE-CD1 4.5Å
2S67.1Low76.2Confident84 Ų8491 Ų9159%0.58749%0.486SS*.  trans-56.6142.2178178.40000110.6K4 A5 K6S2-K4 PolarHBondContact O-N 3.36Å; S2-K4 VanDerWaalsContact O-N 3.16Å; S2-A5 WeakPolarHBondContact O-CB 3.29Å; S2-A5 PolarHBondContact O-N 3.07Å; S2-K6 PolarHBondContact O-N 2.77Å
3G71.8Confident77.4Confident57 Ų5784.2 Ų84.259%0.58845%0.449SS*.Hα-helixtrans-52.4-37.7-179.400000113A5 K6 E7G3-A5 VanDerWaalsContact C-N 3.34Å; G3-A5 PolarHBondContact O-N 2.81Å; G3-K6 PolarHBondContact O-N 3.44Å; G3-K6 VanDerWaalsContact O-N 3.16Å; G3-E7 PolarHBondContact O-N 2.98Å; G3-E7 VanDerWaalsContact O-N 3.15Å
4K71.3Confident78.4Confident126 Ų12678.5 Ų78.555%0.54842%0.418SS..Hα-helixtrans-58.4-40.1175.4-70.4-174.6175.5-176.20113.5S2 K6 E7 I8S2-K4 PolarHBondContact O-N 3.36Å; S2-K4 VanDerWaalsContact O-N 3.16Å; K4-K6 VanDerWaalsContact C-N 3.31Å; K4-K6 PolarHBondContact O-N 2.92Å; K4-E7 PolarHBondContact O-N 3.01Å; K4-I8 VanDerWaalsContact O-CG1 3.3Å; K4-I8 WeakPolarHBondContact O-CG1 3.5Å; K4-I8 PolarHBondContact O-N 3.12Å; K4-I8 VanDerWaalsContact O-N 3.08Å
5A74.3Confident79.2Confident38 Ų3876 Ų7631%0.31442%0.419SS..Hα-helixtrans-68.1-33.4179.900000111.8S2 G3 L9S2-A5 WeakPolarHBondContact O-CB 3.29Å; S2-A5 PolarHBondContact O-N 3.07Å; G3-A5 VanDerWaalsContact C-N 3.34Å; G3-A5 PolarHBondContact O-N 2.81Å; A5-L9 WeakPolarHBondContact O-CD1 3.49Å; A5-L9 VanDerWaalsContact O-CG 3.24Å; A5-L9 WeakPolarHBondContact O-CG 3.38Å; A5-L9 PolarHBondContact O-N 3.39Å
6K77.5Confident79.9Confident139 Ų13973.4 Ų73.460%0.60440%0.404SS*.Hα-helixtrans-71.3-36.9177.5-166.1177.2180-176.60111.6S2 G3 K4 L9 Q10S2-K6 PolarHBondContact O-N 2.77Å; G3-K6 PolarHBondContact O-N 3.44Å; G3-K6 VanDerWaalsContact O-N 3.16Å; K4-K6 VanDerWaalsContact C-N 3.31Å; K4-K6 PolarHBondContact O-N 2.92Å; K6-L9 PolarHBondContact O-N 3.14Å; K6-Q10 WeakPolarHBondContact O-CG 3.38Å; K6-Q10 PolarHBondContact O-N 3.43Å
7E81.6Confident80.5Confident110 Ų11069.3 Ų69.351%0.51438%0.381SS..Hα-helixtrans-66.1-46.9177.8-155.4164.7-147.900111.3G3 K4 L9 Q10 M11G3-E7 PolarHBondContact O-N 2.98Å; G3-E7 VanDerWaalsContact O-N 3.15Å; K4-E7 PolarHBondContact O-N 3.01Å; E7-L9 VanDerWaalsContact C-N 3.28Å; E7-L9 PolarHBondContact O-N 3.08Å; E7-Q10 PolarHBondContact O-N 3.13Å; E7-M11 WeakPolarHBondContact O-CG 3.42Å; E7-M11 PolarHBondContact O-N 2.88Å
8I82.8Confident81Confident28 Ų2868.7 Ų68.714%0.14439%0.393CS..Hα-helixtrans-56.4-40.6174.2-70.1169.1000111.9K4 Q10 M11 L13 Q59 V63 Y73K4-I8 VanDerWaalsContact O-CG1 3.3Å; K4-I8 WeakPolarHBondContact O-CG1 3.5Å; K4-I8 PolarHBondContact O-N 3.12Å; K4-I8 VanDerWaalsContact O-N 3.08Å; I8-Q10 VanDerWaalsContact C-N 3.27Å; I8-Q10 PolarHBondContact O-N 3.01Å; I8-M11 PolarHBondContact O-N 3.09Å; I8-L13 HydrophobicContact CG2-CD1 3.99Å; I8-L13 HydrophobicContact CG2-CD2 4.33Å; I8-Q59 HydrophobicContact CD1-CB 4.46Å; I8-V63 HydrophobicContact CD1-CG2 4.24Å; I8-V63 HydrophobicContact CG2-CG1 4.36Å; I8-V63 HydrophobicContact CG2-CG2 3.78Å; I8-Y73 WeakPolarHBondContact O-CE2 3.48Å
9L82.8Confident81.7Confident49 Ų4966.8 Ų66.826%0.25738%0.382SS..Hα-helixtrans-71.6-19.4178.2-69.5171.2000113.7M1 A5 K6 E7 Y73 I76M1-L9 HydrophobicContact CE-CD1 4.5Å; A5-L9 WeakPolarHBondContact O-CD1 3.49Å; A5-L9 VanDerWaalsContact O-CG 3.24Å; A5-L9 WeakPolarHBondContact O-CG 3.38Å; A5-L9 PolarHBondContact O-N 3.39Å; K6-L9 PolarHBondContact O-N 3.14Å; E7-L9 VanDerWaalsContact C-N 3.28Å; E7-L9 PolarHBondContact O-N 3.08Å; L9-Y73 HydrophobicContact CD2-CD2 4.19Å; L9-I76 HydrophobicContact CD1-CD1 3.86Å; L9-I76 HydrophobicContact CD2-CB 4.15Å; L9-I76 HydrophobicContact CD2-CD1 3.42Å; L9-I76 VanDerWaalsContact CD2-CD1 3.42Å; L9-I76 HydrophobicContact CD2-CG1 4.37Å; L9-I76 HydrophobicContact CD2-CG2 4.11Å; L9-I76 HydrophobicContact CG-CD1 4.28Å
10Q81.9Confident82.1Confident132 Ų13270.5 Ų70.562%0.61740%0.395SS*.Hα-helixtrans-89.5-28.3175.8-73.5-179.3-6.100112.5K6 E7 I8K6-Q10 WeakPolarHBondContact O-CG 3.38Å; K6-Q10 PolarHBondContact O-N 3.43Å; E7-Q10 PolarHBondContact O-N 3.13Å; I8-Q10 VanDerWaalsContact C-N 3.27Å; I8-Q10 PolarHBondContact O-N 3.01Å
11M84.8Confident82.4Confident48 Ų4869.7 Ų69.724%0.23639%0.394CS..SBendtrans-78.2150.3179.8-68178.479.300112.8E7 I8 L13 Q56 Y73E7-M11 WeakPolarHBondContact O-CG 3.42Å; E7-M11 PolarHBondContact O-N 2.88Å; I8-M11 PolarHBondContact O-N 3.09Å; M11-L13 HydrophobicContact CB-CD2 4.37Å; M11-L13 PolarHBondContact O-N 3.03Å; M11-Q56 HydrophobicContact CE-CB 4.08Å; M11-Q56 HydrophobicContact CE-CG 3.74Å; M11-Y73 PolarHBondContact O-OH 3.45Å
12D89.6Confident84.2Confident79 Ų7963.9 Ų63.942%0.42237%0.374SS..  trans-89.993172.3-172.69.1000110.5Y14 G15 L16 Y73D12-Y14 VanDerWaalsContact C-N 3.33Å; D12-Y14 PolarHBondContact O-N 3.01Å; D12-G15 PolarHBondContact O-N 2.86Å; D12-G15 PolarHBondContact OD1-N 3.32Å; D12-L16 WeakPolarHBondContact O-CB 3.49Å; D12-L16 PolarHBondContact O-N 3.44Å; D12-Y73 WeakPolarHBondContact CA-OH 3.34Å
13L91.4Very high85.3Confident3 Ų360.5 Ų60.52%0.01635%0.351CS..Hα-helixtrans-66.7-34.9-174.8-55.6179.6000112.2I8 M11 L17 A60 V63 L64 Y73I8-L13 HydrophobicContact CG2-CD1 3.99Å; I8-L13 HydrophobicContact CG2-CD2 4.33Å; M11-L13 HydrophobicContact CB-CD2 4.37Å; M11-L13 PolarHBondContact O-N 3.03Å; L13-L17 PolarHBondContact O-N 3.15Å; L13-A60 HydrophobicContact CB-CB 4.1Å; L13-A60 HydrophobicContact CD2-CB 3.93Å; L13-V63 HydrophobicContact CD1-CB 3.87Å; L13-V63 HydrophobicContact CD1-CG1 3.57Å; L13-V63 HydrophobicContact CD1-CG2 4.49Å; L13-L64 HydrophobicContact CB-CD1 3.9Å; L13-L64 HydrophobicContact CB-CD2 4.39Å; L13-L64 HydrophobicContact CB-CG 4.19Å; L13-L64 HydrophobicContact CD1-CD2 4.45Å; L13-L64 HydrophobicContact CD1-CG 4.39Å; L13-Y73 HydrophobicContact CB-CE1 4.26Å; L13-Y73 HydrophobicContact CD1-CD1 4.21Å; L13-Y73 HydrophobicContact CD1-CD2 3.75Å; L13-Y73 HydrophobicContact CD1-CE1 4.09Å; L13-Y73 HydrophobicContact CD1-CE2 3.64Å; L13-Y73 HydrophobicContact CD1-CG 4.05Å; L13-Y73 HydrophobicContact CG-CD2 4.37Å; L13-Y73 HydrophobicContact CG-CE1 4.2Å; L13-Y73 HydrophobicContact CG-CE2 3.74Å; L13-Y73 PolarHBondContact N-OH 3.3Å; L13-Y73 VanDerWaalsContact N-OH 3.07Å
14Y91.7Very high86.3Confident4 Ų461.3 Ų61.32%0.01634%0.344CS..Hα-helixtrans-70.9-44.9177.1-62.3-73.7000110.8D12 L16 L17 G18 I19 L64 K70 Y73 D74D12-Y14 VanDerWaalsContact C-N 3.33Å; D12-Y14 PolarHBondContact O-N 3.01Å; Y14-L16 VanDerWaalsContact C-N 3.33Å; Y14-L16 PolarHBondContact O-N 3.37Å; Y14-L17 CarbonylContact O-C 3.56Å; Y14-L17 PolarHBondContact O-N 3.49Å; Y14-G18 PolarHBondContact O-N 2.9Å; Y14-I19 HydrophobicContact CD1-CD1 4.29Å; Y14-I19 HydrophobicContact CD1-CG1 4.23Å; Y14-I19 PolarHBondContact O-N 3.31Å; Y14-L64 HydrophobicContact CD1-CD1 4.11Å; Y14-L64 HydrophobicContact CD1-CD2 4.21Å; Y14-L64 HydrophobicContact CE1-CD1 4.17Å; Y14-L64 HydrophobicContact CE1-CD2 3.55Å; Y14-L64 HydrophobicContact CE1-CG 4.48Å; Y14-L64 HydrophobicContact CE2-CD2 4.07Å; Y14-L64 VanDerWaalsContact CZ-CD2 3.47Å; Y14-K70 WeakPolarHBondContact OH-CE 3.41Å; Y14-K70 PolarHBondContact OH-NZ 3.36Å; Y14-K70 VanDerWaalsContact OH-NZ 3.09Å; Y14-Y73 AromaticContact CD2-CE1 3.95Å; Y14-Y73 HydrophobicContact CD2-CE1 3.95Å; Y14-Y73 HydrophobicContact CE2-CD1 4.02Å; Y14-Y73 AromaticContact CE2-CE1 3.65Å; Y14-Y73 HydrophobicContact CE2-CE1 3.65Å; Y14-D74 VanDerWaalsContact CE2-OD1 3.27Å; Y14-D74 WeakPolarHBondContact CE2-OD1 3.48Å; Y14-D74 VanDerWaalsContact OH-CG 3.27Å; Y14-D74 PolarHBondContact OH-OD1 2.99Å; Y14-D74 PolarHBondContact OH-OD2 3.44Å; Y14-D74 VanDerWaalsContact OH-OD2 3.13Å
15G90Very high87.2Confident41 Ų4159 Ų5942%0.42334%0.341SS..Hα-helixtrans-60.5-40.4173.500000112.7D12 L17 G18D12-G15 PolarHBondContact O-N 2.86Å; D12-G15 PolarHBondContact OD1-N 3.32Å; G15-L17 VanDerWaalsContact C-N 3.32Å; G15-L17 PolarHBondContact O-N 2.87Å; G15-G18 PolarHBondContact O-N 3.46Å
16L90.8Very high88.1Confident34 Ų3465.3 Ų65.318%0.17836%0.361CS..Hα-helixtrans-61-39.5176.8-169.578.2000112.1D12 Y14 G18 K35 Q56 L57 A60D12-L16 WeakPolarHBondContact O-CB 3.49Å; D12-L16 PolarHBondContact O-N 3.44Å; Y14-L16 VanDerWaalsContact C-N 3.33Å; Y14-L16 PolarHBondContact O-N 3.37Å; L16-G18 VanDerWaalsContact C-N 3.34Å; L16-K35 WeakPolarHBondContact O-CD 3.37Å; L16-K35 PolarHBondContact O-NZ 3.33Å; L16-Q56 VanDerWaalsContact CD2-C 3.45Å; L16-Q56 HydrophobicContact CD2-CB 3.69Å; L16-Q56 WeakPolarHBondContact CD2-O 3.18Å; L16-L57 HydrophobicContact CD2-CD2 4.17Å; L16-L57 HydrophobicContact CD2-CG 4.38Å; L16-L57 HydrophobicContact CG-CD2 4.02Å; L16-A60 HydrophobicContact CD2-CB 4.02Å
17L89.9Confident88.8Confident4 Ų463.5 Ų63.52%0.02136%0.355CS..Hα-helixtrans-82-12.2174.5-73.8169.5000113.4L13 Y14 G15 I19 I28 Y32 K35 L57 A60 L64L13-L17 PolarHBondContact O-N 3.15Å; Y14-L17 CarbonylContact O-C 3.56Å; Y14-L17 PolarHBondContact O-N 3.49Å; G15-L17 VanDerWaalsContact C-N 3.32Å; G15-L17 PolarHBondContact O-N 2.87Å; L17-I19 HydrophobicContact CB-CD1 3.88Å; L17-I19 HydrophobicContact CB-CG1 3.8Å; L17-I19 HydrophobicContact CD1-CD1 3.94Å; L17-I28 HydrophobicContact CD1-CG2 4Å; L17-Y32 HydrophobicContact CD2-CD2 4.42Å; L17-K35 VanDerWaalsContact C-CE 3.48Å; L17-K35 WeakPolarHBondContact O-CE 3.23Å; L17-L57 HydrophobicContact CD2-CD2 3.74Å; L17-L57 HydrophobicContact CG-CD2 4.41Å; L17-A60 HydrophobicContact CD1-CB 4.24Å; L17-A60 HydrophobicContact CG-CB 4.35Å; L17-L64 HydrophobicContact CD1-CD1 3.6Å
18G90.1Very high89.4Confident58 Ų5858.2 Ų58.260%0.59833%0.33SS*.THydrogen-bonded Turntrans70.132.8-178.500000112.9Y14 G15 L16Y14-G18 PolarHBondContact O-N 2.9Å; G15-G18 PolarHBondContact O-N 3.46Å; L16-G18 VanDerWaalsContact C-N 3.34Å
19I93.1Very high89.8Confident34 Ų3462 Ų6217%0.17435%0.345CS..  trans-121.2160.6-177.458.4177.4000110.4Y14 L17 A23 I28 A31Y14-I19 HydrophobicContact CD1-CD1 4.29Å; Y14-I19 HydrophobicContact CD1-CG1 4.23Å; Y14-I19 PolarHBondContact O-N 3.31Å; L17-I19 HydrophobicContact CB-CD1 3.88Å; L17-I19 HydrophobicContact CB-CG1 3.8Å; L17-I19 HydrophobicContact CD1-CD1 3.94Å; I19-A23 HydrophobicContact CB-CB 4.11Å; I19-A23 HydrophobicContact CD1-CB 4.1Å; I19-A23 HydrophobicContact CG1-CB 4.43Å; I19-I28 HydrophobicContact CD1-CB 4.19Å; I19-I28 HydrophobicContact CD1-CG1 3.49Å; I19-I28 VanDerWaalsContact CD1-CG1 3.49Å; I19-I28 HydrophobicContact CD1-CG2 4.48Å; I19-A31 HydrophobicContact CG2-CB 3.48Å; I19-A31 VanDerWaalsContact CG2-CB 3.48Å
20E91Very high90.4Very high139 Ų13965.3 Ų65.365%0.6536%0.358SS*.  trans-78.7155.3174-159.7-177.7-169.200111.1S22 A23E20-S22 WeakPolarHBondContact CB-OG 3.32Å; E20-S22 VanDerWaalsContact CD-OG 3.24Å; E20-S22 WeakPolarHBondContact CG-OG 3.21Å; E20-S22 PolarHBondContact O-N 3.34Å; E20-S22 VanDerWaalsContact O-N 3.16Å; E20-S22 PolarHBondContact OE2-OG 2.67Å; E20-A23 WeakPolarHBondContact O-CB 3.41Å; E20-A23 PolarHBondContact O-N 2.94Å
21S87Confident90.9Very high54 Ų5459.6 Ų59.638%0.37833%0.333SS..THydrogen-bonded Turntrans-64.7-14.9175.849.70000114.4A23S21-A23 VanDerWaalsContact C-N 3.33Å
22S88.6Confident91.4Very high81 Ų8159.3 Ų59.357%0.56633%0.33SS*.THydrogen-bonded Turntrans-81.5-9.3174.158.70000113.2E20E20-S22 WeakPolarHBondContact CB-OG 3.32Å; E20-S22 VanDerWaalsContact CD-OG 3.24Å; E20-S22 WeakPolarHBondContact CG-OG 3.21Å; E20-S22 PolarHBondContact O-N 3.34Å; E20-S22 VanDerWaalsContact O-N 3.16Å; E20-S22 PolarHBondContact OE2-OG 2.67Å
23A90.4Very high91.5Very high12 Ų1262.4 Ų62.410%0.09934%0.336CS..  trans-61.7138.3-172.100000112.7I19 E20 S21 E27 I28I19-A23 HydrophobicContact CB-CB 4.11Å; I19-A23 HydrophobicContact CD1-CB 4.1Å; I19-A23 HydrophobicContact CG1-CB 4.43Å; E20-A23 WeakPolarHBondContact O-CB 3.41Å; E20-A23 PolarHBondContact O-N 2.94Å; S21-A23 VanDerWaalsContact C-N 3.33Å; A23-E27 HydrophobicContact CB-CB 4.26Å; A23-I28 HydrophobicContact CB-CG1 4.35Å
24T92.4Very high91.5Very high74 Ų7468 Ų6845%0.45436%0.361SS..  trans-73.5158.817762.90000111.5K26 E27 I28T24-K26 PolarHBondContact O-N 3.44Å; T24-K26 VanDerWaalsContact O-N 3.12Å; T24-E27 WeakPolarHBondContact CB-OE2 3.4Å; T24-E27 PolarHBondContact N-OE2 2.76Å; T24-E27 WeakPolarHBondContact O-CB 3.14Å; T24-E27 PolarHBondContact O-N 3.12Å; T24-E27 VanDerWaalsContact OG1-CD 3.29Å; T24-E27 WeakPolarHBondContact OG1-CG 3.41Å; T24-E27 PolarHBondContact OG1-N 3.4Å; T24-E27 PolarHBondContact OG1-OE2 3.04Å; T24-I28 WeakPolarHBondContact O-CG1 3.28Å; T24-I28 PolarHBondContact O-N 3.16Å
25T90.6Very high91.5Very high77 Ų7771.2 Ų71.247%0.47238%0.376SS..Hα-helixtrans-57.4-29.8176.653.90000113.1K29T25-K29 WeakPolarHBondContact O-CB 3.31Å; T25-K29 WeakPolarHBondContact O-CG 3.47Å; T25-K29 PolarHBondContact O-N 2.95Å; T25-K29 VanDerWaalsContact O-N 3.08Å
26K91.8Very high91.5Very high171 Ų17169.8 Ų69.874%0.74336%0.36SS*.Hα-helixtrans-66.9-43.2174.1-70.4-177.4-180177.20111.7T24 K30T24-K26 PolarHBondContact O-N 3.44Å; T24-K26 VanDerWaalsContact O-N 3.12Å; K26-K30 WeakPolarHBondContact O-CB 3.49Å; K26-K30 PolarHBondContact O-N 3.17Å
27E92.7Very high91.4Very high101 Ų10173.6 Ų73.647%0.47238%0.38SS..Hα-helixtrans-69-42.1177.8-70.6162.1150.100111.4A23 T24 K29 K30 A31A23-E27 HydrophobicContact CB-CB 4.26Å; T24-E27 WeakPolarHBondContact CB-OE2 3.4Å; T24-E27 PolarHBondContact N-OE2 2.76Å; T24-E27 WeakPolarHBondContact O-CB 3.14Å; T24-E27 PolarHBondContact O-N 3.12Å; T24-E27 VanDerWaalsContact OG1-CD 3.29Å; T24-E27 WeakPolarHBondContact OG1-CG 3.41Å; T24-E27 PolarHBondContact OG1-N 3.4Å; T24-E27 PolarHBondContact OG1-OE2 3.04Å; E27-K29 PolarHBondContact O-N 3.39Å; E27-K30 PolarHBondContact O-N 3.12Å; E27-K30 VanDerWaalsContact O-N 3.14Å; E27-A31 WeakPolarHBondContact O-CB 3.27Å; E27-A31 PolarHBondContact O-N 3.3Å
28I93.2Very high91.2Very high0 Ų078.2 Ų78.20%041%0.408CS..Hα-helixtrans-55.1-51.2173.6-66.4160.2000110.3L17 I19 A23 T24 K30 A31 Y32 L61 L64 T65L17-I28 HydrophobicContact CD1-CG2 4Å; I19-I28 HydrophobicContact CD1-CB 4.19Å; I19-I28 HydrophobicContact CD1-CG1 3.49Å; I19-I28 VanDerWaalsContact CD1-CG1 3.49Å; I19-I28 HydrophobicContact CD1-CG2 4.48Å; A23-I28 HydrophobicContact CB-CG1 4.35Å; T24-I28 WeakPolarHBondContact O-CG1 3.28Å; T24-I28 PolarHBondContact O-N 3.16Å; I28-K30 VanDerWaalsContact C-N 3.32Å; I28-K30 PolarHBondContact O-N 3.32Å; I28-A31 PolarHBondContact O-N 3.27Å; I28-Y32 WeakPolarHBondContact O-CB 3.48Å; I28-Y32 PolarHBondContact O-N 2.64Å; I28-L61 HydrophobicContact CG2-CD1 3.95Å; I28-L64 HydrophobicContact CD1-CB 4.15Å; I28-L64 HydrophobicContact CG2-CB 4.01Å; I28-T65 HydrophobicContact CG2-CG2 4.32Å
29K92.8Very high91.1Very high106 Ų10676.9 Ų76.946%0.46139%0.389SS..Hα-helixtrans-63.6-35.7178.3-74.2178.9-180-174.70112.6T25 E27 R33 L61 T65T25-K29 WeakPolarHBondContact O-CB 3.31Å; T25-K29 WeakPolarHBondContact O-CG 3.47Å; T25-K29 PolarHBondContact O-N 2.95Å; T25-K29 VanDerWaalsContact O-N 3.08Å; E27-K29 PolarHBondContact O-N 3.39Å; K29-R33 WeakPolarHBondContact O-CG 3.34Å; K29-R33 PolarHBondContact O-N 2.84Å; K29-L61 HydrophobicContact CG-CD1 4.07Å; K29-T65 HydrophobicContact CG-CG2 4.18Å
30K94.1Very high90.7Very high120 Ų12078.4 Ų78.452%0.52240%0.396SS..Hα-helixtrans-67.8-47.8177.3-176.4-177.6176.1-174.80111.2K26 E27 I28 R33 Q34K26-K30 WeakPolarHBondContact O-CB 3.49Å; K26-K30 PolarHBondContact O-N 3.17Å; E27-K30 PolarHBondContact O-N 3.12Å; E27-K30 VanDerWaalsContact O-N 3.14Å; I28-K30 VanDerWaalsContact C-N 3.32Å; I28-K30 PolarHBondContact O-N 3.32Å; K30-R33 PolarHBondContact O-N 3.22Å; K30-Q34 PolarHBondContact O-N 3.43Å; K30-Q34 VanDerWaalsContact O-N 3.12Å
31A93.3Very high90.4Very high12 Ų1274.4 Ų74.410%0.09938%0.382CS..Hα-helixtrans-62.6-42.2178.600000111.6I19 E27 I28 R33 Q34 K35I19-A31 HydrophobicContact CG2-CB 3.48Å; I19-A31 VanDerWaalsContact CG2-CB 3.48Å; E27-A31 WeakPolarHBondContact O-CB 3.27Å; E27-A31 PolarHBondContact O-N 3.3Å; I28-A31 PolarHBondContact O-N 3.27Å; A31-R33 PolarHBondContact O-N 2.95Å; A31-Q34 PolarHBondContact O-N 3.37Å; A31-K35 PolarHBondContact O-N 3.48Å
32Y94.6Very high90.4Very high42 Ų4278.4 Ų78.417%0.16540%0.399CS..Hα-helixtrans-56.7-50.4173172.1-97.5000111.7L17 I28 Q34 K35 A36 L57 S58 L61L17-Y32 HydrophobicContact CD2-CD2 4.42Å; I28-Y32 WeakPolarHBondContact O-CB 3.48Å; I28-Y32 PolarHBondContact O-N 2.64Å; Y32-Q34 VanDerWaalsContact C-N 3.29Å; Y32-Q34 PolarHBondContact O-N 2.92Å; Y32-K35 PolarHBondContact O-N 3.07Å; Y32-A36 HydrophobicContact CD1-CB 4.47Å; Y32-A36 HydrophobicContact CE1-CB 4.18Å; Y32-A36 HydrophobicContact CE2-CB 4.37Å; Y32-A36 WeakPolarHBondContact O-CB 3.44Å; Y32-A36 PolarHBondContact O-N 3.3Å; Y32-L57 HydrophobicContact CD2-CB 4.12Å; Y32-L57 WeakPolarHBondContact CD2-O 3.37Å; Y32-L57 HydrophobicContact CE2-CB 4.02Å; Y32-L57 WeakPolarHBondContact CE2-O 3.18Å; Y32-S58 PolarHBondContact OH-OG 3.07Å; Y32-S58 VanDerWaalsContact OH-OG 3.06Å; Y32-L61 HydrophobicContact CD1-CD2 3.6Å; Y32-L61 HydrophobicContact CD2-CB 3.88Å; Y32-L61 HydrophobicContact CD2-CD2 4.08Å; Y32-L61 HydrophobicContact CD2-CG 4.43Å; Y32-L61 HydrophobicContact CE1-CD2 3.73Å; Y32-L61 HydrophobicContact CE2-CB 4.25Å; Y32-L61 HydrophobicContact CE2-CD2 4.22Å; Y32-L61 HydrophobicContact CG-CB 4.17Å; Y32-L61 HydrophobicContact CG-CD1 4.13Å; Y32-L61 HydrophobicContact CG-CD2 3.77Å; Y32-L61 HydrophobicContact CG-CG 4.25Å
33R92.4Very high90.2Very high144 Ų14481.5 Ų81.554%0.54340%0.402SS..Hα-helixtrans-58.6-41.8179.8-74.7-171.3-61.4-93.62.6112.3K29 K30 A31 L37K29-R33 WeakPolarHBondContact O-CG 3.34Å; K29-R33 PolarHBondContact O-N 2.84Å; K30-R33 PolarHBondContact O-N 3.22Å; A31-R33 PolarHBondContact O-N 2.95Å; R33-L37 VanDerWaalsContact O-CG 3.27Å; R33-L37 WeakPolarHBondContact O-CG 3.22Å; R33-L37 PolarHBondContact O-N 3.46Å
34Q91.9Very high89.9Confident119 Ų11983.6 Ų83.656%0.55641%0.411SS*.Hα-helixtrans-64-49.7177.9-73.4179.2-26.400111.5K30 A31 Y32 L37 T38K30-Q34 PolarHBondContact O-N 3.43Å; K30-Q34 VanDerWaalsContact O-N 3.12Å; A31-Q34 PolarHBondContact O-N 3.37Å; Y32-Q34 VanDerWaalsContact C-N 3.29Å; Y32-Q34 PolarHBondContact O-N 2.92Å; Q34-L37 PolarHBondContact O-N 3.45Å; Q34-T38 PolarHBondContact O-N 2.93Å; Q34-T38 PolarHBondContact O-OG1 2.99Å
35K90.6Very high89.3Confident73 Ų7384.8 Ų84.832%0.31742%0.421SS..Hα-helixtrans-69-36.7179.6-72-157.2175.9-169.60113.3L16 L17 A31 Y32 L37 T38 C39 L57L16-K35 WeakPolarHBondContact O-CD 3.37Å; L16-K35 PolarHBondContact O-NZ 3.33Å; L17-K35 VanDerWaalsContact C-CE 3.48Å; L17-K35 WeakPolarHBondContact O-CE 3.23Å; A31-K35 PolarHBondContact O-N 3.48Å; Y32-K35 PolarHBondContact O-N 3.07Å; K35-L37 VanDerWaalsContact C-N 3.3Å; K35-L37 PolarHBondContact O-N 3.46Å; K35-T38 PolarHBondContact O-N 3.06Å; K35-C39 WeakPolarHBondContact O-CB 3.4Å; K35-C39 PolarHBondContact O-N 2.99Å; K35-L57 HydrophobicContact CB-CD1 3.84Å; K35-L57 HydrophobicContact CB-CD2 4.07Å; K35-L57 HydrophobicContact CD-CD2 3.96Å
36A90.1Very high88.8Confident10 Ų1088.6 Ų88.68%0.08344%0.438CS..Hα-helixtrans-62.4-36.7177.300000111.8Y32 H40 F54Y32-A36 HydrophobicContact CD1-CB 4.47Å; Y32-A36 HydrophobicContact CE1-CB 4.18Å; Y32-A36 HydrophobicContact CE2-CB 4.37Å; Y32-A36 WeakPolarHBondContact O-CB 3.44Å; Y32-A36 PolarHBondContact O-N 3.3Å; A36-H40 WeakPolarHBondContact O-CA 3.34Å; A36-H40 WeakPolarHBondContact O-CB 3.48Å; A36-H40 PolarHBondContact O-N 3.03Å; A36-F54 HydrophobicContact CB-CD2 4.34Å; A36-F54 HydrophobicContact CB-CE2 3.87Å
37L88.4Confident88.4Confident114 Ų11483.9 Ų83.960%0.59742%0.421SS*.Hα-helixtrans-66-38.9174.5-74.5168.5000112.2R33 Q34 K35R33-L37 VanDerWaalsContact O-CG 3.27Å; R33-L37 WeakPolarHBondContact O-CG 3.22Å; R33-L37 PolarHBondContact O-N 3.46Å; Q34-L37 PolarHBondContact O-N 3.45Å; K35-L37 VanDerWaalsContact C-N 3.3Å; K35-L37 PolarHBondContact O-N 3.46Å
38T86.4Confident87.8Confident102 Ų10284.2 Ų84.263%0.62643%0.432SS*.Hα-helixtrans-71.3-38.5178-490000111.9Q34 K35 N44Q34-T38 PolarHBondContact O-N 2.93Å; Q34-T38 PolarHBondContact O-OG1 2.99Å; K35-T38 PolarHBondContact O-N 3.06Å; T38-N44 PolarHBondContact O-ND2 3.4Å
39C86.9Confident87.3Confident29 Ų2991 Ų9120%0.19646%0.462CS..THydrogen-bonded Turntrans-98.514.2-176.6-59.70000113.7K35 L57K35-C39 WeakPolarHBondContact O-CB 3.4Å; K35-C39 PolarHBondContact O-N 2.99Å; C39-L57 HydrophobicContact CB-CD1 4.27Å
40H85.9Confident87Confident67 Ų6786.1 Ų86.131%0.3144%0.441SS..  trans-65.2130.3-176.1-163.9-86.3000110.6A36 D42 K43 N44A36-H40 WeakPolarHBondContact O-CA 3.34Å; A36-H40 WeakPolarHBondContact O-CB 3.48Å; A36-H40 PolarHBondContact O-N 3.03Å; H40-D42 VanDerWaalsContact C-N 3.28Å; H40-D42 WeakPolarHBondContact CE1-CB 3.17Å; H40-D42 WeakPolarHBondContact ND1-CB 3.36Å; H40-D42 PolarHBondContact ND1-N 3.45Å; H40-D42 VanDerWaalsContact ND1-N 3.15Å; H40-D42 PolarHBondContact O-N 3.03Å; H40-K43 HydrophobicContact CB-CB 4.41Å; H40-K43 HydrophobicContact CB-CD 4.47Å; H40-K43 PolarHBondContact O-N 2.89Å; H40-K43 VanDerWaalsContact O-N 3.15Å; H40-N44 PolarHBondContact O-N 3.01Å; H40-N44 VanDerWaalsContact O-N 3.14Å; H40-N44 PolarHBondContact O-ND2 3.42Å
41P85.3Confident86.6Confident55 Ų5582.9 Ų82.936%0.35744%0.436SS..THydrogen-bonded Turntrans-62.8-33.7-176.423.5-33.3000112.7K43 N44P41-K43 VanDerWaalsContact C-N 3.34Å; P41-K43 PolarHBondContact O-N 3.25Å; P41-N44 CarbonylContact O-C 3.57Å; P41-N44 PolarHBondContact O-N 2.97Å
42D86.3Confident86.3Confident137 Ų13787.9 Ų87.973%0.73346%0.458SS*.THydrogen-bonded Turntrans-66.8-31.2177.1-165.752.8000113.6H40H40-D42 VanDerWaalsContact C-N 3.28Å; H40-D42 WeakPolarHBondContact CE1-CB 3.17Å; H40-D42 WeakPolarHBondContact ND1-CB 3.36Å; H40-D42 PolarHBondContact ND1-N 3.45Å; H40-D42 VanDerWaalsContact ND1-N 3.15Å; H40-D42 PolarHBondContact O-N 3.03Å
43K84.3Confident85.9Confident147 Ų14789 Ų8964%0.63947%0.467SS*.THydrogen-bonded Turntrans-87.4-14.1177-72.2176175.1-820112.5H40 P41 P45H40-K43 HydrophobicContact CB-CB 4.41Å; H40-K43 HydrophobicContact CB-CD 4.47Å; H40-K43 PolarHBondContact O-N 2.89Å; H40-K43 VanDerWaalsContact O-N 3.15Å; P41-K43 VanDerWaalsContact C-N 3.34Å; P41-K43 PolarHBondContact O-N 3.25Å; K43-P45 VanDerWaalsContact C-CD 3.43Å
44N84.8Confident85.8Confident55 Ų5584.6 Ų84.629%0.29445%0.451SS..  trans-132.256.9-177.8-56.7-84.1000110.9T38 H40 P41 D46 N47 A50T38-N44 PolarHBondContact O-ND2 3.4Å; H40-N44 PolarHBondContact O-N 3.01Å; H40-N44 VanDerWaalsContact O-N 3.14Å; H40-N44 PolarHBondContact O-ND2 3.42Å; P41-N44 CarbonylContact O-C 3.57Å; P41-N44 PolarHBondContact O-N 2.97Å; N44-D46 PolarHBondContact O-N 3.27Å; N44-N47 HydrophobicContact CB-CB 4.3Å; N44-N47 PolarHBondContact O-N 3.22Å; N44-N47 VanDerWaalsContact O-N 3.16Å; N44-A50 HydrophobicContact CB-CB 3.85Å
45P78.2Confident85.6Confident100 Ų10083.6 Ų83.665%0.64945%0.446SS*.THydrogen-bonded Turntrans-63.3-26.6-17425.9-34.4000113K43 N47K43-P45 VanDerWaalsContact C-CD 3.43Å; P45-N47 VanDerWaalsContact C-N 3.34Å
46D81.8Confident85.6Confident156 Ų15682 Ų8283%0.83444%0.44SS*.THydrogen-bonded Turntrans-84.8-5.2-178.8-55.1-46.6000113.7N44 P48N44-D46 PolarHBondContact O-N 3.27Å; D46-P48 WeakPolarHBondContact O-CD 3.38Å
47N82.3Confident85.7Confident72 Ų7281.8 Ų81.839%0.38544%0.437SS..  trans-110.199.1-176.8-172-6.5000111.7N44 P45 K49 A50N44-N47 HydrophobicContact CB-CB 4.3Å; N44-N47 PolarHBondContact O-N 3.22Å; N44-N47 VanDerWaalsContact O-N 3.16Å; P45-N47 VanDerWaalsContact C-N 3.34Å; N47-K49 PolarHBondContact O-N 3.18Å; N47-K49 VanDerWaalsContact O-N 3.15Å; N47-K49 VanDerWaalsContact OD1-CB 3.31Å; N47-K49 WeakPolarHBondContact OD1-CB 3.27Å; N47-K49 PolarHBondContact OD1-N 3.46Å; N47-A50 HydrophobicContact CB-CB 4.1Å; N47-A50 VanDerWaalsContact O-CB 3.27Å; N47-A50 WeakPolarHBondContact O-CB 3.35Å; N47-A50 PolarHBondContact O-N 2.94Å
48P79.7Confident85.8Confident109 Ų10977.9 Ų77.971%0.70842%0.42SS*.Hα-helixtrans-63-23.7178.825-33.7000113D46 A50D46-P48 WeakPolarHBondContact O-CD 3.38Å; P48-A50 VanDerWaalsContact C-N 3.3Å; P48-A50 PolarHBondContact O-N 3.28Å
49K84.1Confident86Confident142 Ų14274.2 Ų74.262%0.61740%0.395SS*.Hα-helixtrans-73.6-21.2175.5-60.2-177.2176.8178.60112.7N47 A51 E52 L53N47-K49 PolarHBondContact O-N 3.18Å; N47-K49 VanDerWaalsContact O-N 3.15Å; N47-K49 VanDerWaalsContact OD1-CB 3.31Å; N47-K49 WeakPolarHBondContact OD1-CB 3.27Å; N47-K49 PolarHBondContact OD1-N 3.46Å; K49-A51 VanDerWaalsContact C-N 3.34Å; K49-E52 PolarHBondContact O-N 3.43Å; K49-L53 WeakPolarHBondContact O-CB 3.08Å; K49-L53 VanDerWaalsContact O-CG 3.29Å; K49-L53 WeakPolarHBondContact O-CG 3.47Å; K49-L53 PolarHBondContact O-N 3.44Å
50A85Confident86.2Confident3 Ų372.8 Ų72.83%0.02539%0.386CS..Hα-helixtrans-64.2-41.5177.900000111N44 N47 P48 F54N44-A50 HydrophobicContact CB-CB 3.85Å; N47-A50 HydrophobicContact CB-CB 4.1Å; N47-A50 VanDerWaalsContact O-CB 3.27Å; N47-A50 WeakPolarHBondContact O-CB 3.35Å; N47-A50 PolarHBondContact O-N 2.94Å; P48-A50 VanDerWaalsContact C-N 3.3Å; P48-A50 PolarHBondContact O-N 3.28Å; A50-F54 WeakPolarHBondContact O-CB 3.36Å; A50-F54 PolarHBondContact O-N 3.07Å
51A85.7Confident86.5Confident52 Ų5271.2 Ų71.243%0.4338%0.38SS..Hα-helixtrans-63.8-42.9175.900000112.3K49 F54 H55K49-A51 VanDerWaalsContact C-N 3.34Å; A51-F54 PolarHBondContact O-N 3.42Å; A51-H55 WeakPolarHBondContact O-CB 3.41Å; A51-H55 PolarHBondContact O-N 3.21Å
52E87.3Confident86.8Confident117 Ų11775.2 Ų75.255%0.54739%0.394SS..Hα-helixtrans-64.7-49177.5-170.1-176.5175.500111.7K49 F54 H55 Q56K49-E52 PolarHBondContact O-N 3.43Å; E52-F54 VanDerWaalsContact C-N 3.32Å; E52-F54 PolarHBondContact O-N 3.39Å; E52-H55 WeakPolarHBondContact O-CB 3.19Å; E52-H55 PolarHBondContact O-N 2.76Å; E52-H55 VanDerWaalsContact O-N 3.15Å; E52-Q56 WeakPolarHBondContact O-CG 3.5Å; E52-Q56 PolarHBondContact O-N 3.41Å; E52-Q56 PolarHBondContact OE1-NE2 2.9Å
53L87.1Confident87Confident67 Ų6769.6 Ų69.635%0.35136%0.364SS..Hα-helixtrans-61-41.1176.7-73.7170.2000111.8K49 H55 Q56 L57K49-L53 WeakPolarHBondContact O-CB 3.08Å; K49-L53 VanDerWaalsContact O-CG 3.29Å; K49-L53 WeakPolarHBondContact O-CG 3.47Å; K49-L53 PolarHBondContact O-N 3.44Å; L53-H55 VanDerWaalsContact C-N 3.31Å; L53-H55 PolarHBondContact O-N 2.9Å; L53-Q56 PolarHBondContact O-N 2.99Å; L53-L57 WeakPolarHBondContact O-CB 3.33Å; L53-L57 WeakPolarHBondContact O-CG 3.42Å; L53-L57 PolarHBondContact O-N 3.25Å
54F89.3Confident87.4Confident51 Ų5162.7 Ų62.722%0.22433%0.334CS..Hα-helixtrans-61.9-40.3175.7-173.8-88.6000111.8A36 A50 A51 E52 L57 S58A36-F54 HydrophobicContact CB-CD2 4.34Å; A36-F54 HydrophobicContact CB-CE2 3.87Å; A50-F54 WeakPolarHBondContact O-CB 3.36Å; A50-F54 PolarHBondContact O-N 3.07Å; A51-F54 PolarHBondContact O-N 3.42Å; E52-F54 VanDerWaalsContact C-N 3.32Å; E52-F54 PolarHBondContact O-N 3.39Å; F54-L57 PolarHBondContact O-N 3.31Å; F54-S58 WeakPolarHBondContact O-CB 3.41Å; F54-S58 PolarHBondContact O-N 3.02Å; F54-S58 PolarHBondContact O-OG 3.34Å
55H88.3Confident87.7Confident98 Ų9862.4 Ų62.445%0.45434%0.335SS..Hα-helixtrans-64.2-46.5175-167.560.5000111.5A51 E52 L53 L57 S58 Q59A51-H55 WeakPolarHBondContact O-CB 3.41Å; A51-H55 PolarHBondContact O-N 3.21Å; E52-H55 WeakPolarHBondContact O-CB 3.19Å; E52-H55 PolarHBondContact O-N 2.76Å; E52-H55 VanDerWaalsContact O-N 3.15Å; L53-H55 VanDerWaalsContact C-N 3.31Å; L53-H55 PolarHBondContact O-N 2.9Å; H55-L57 PolarHBondContact O-N 3.44Å; H55-S58 WeakPolarHBondContact O-CB 3.41Å; H55-S58 PolarHBondContact O-N 3.41Å; H55-S58 VanDerWaalsContact O-N 3.16Å; H55-Q59 PolarHBondContact CD2-NE2 2.89Å; H55-Q59 PolarHBondContact NE2-NE2 3.36Å; H55-Q59 WeakPolarHBondContact O-CG 3.5Å; H55-Q59 PolarHBondContact O-N 3.49Å
56Q90Very high88.4Confident39 Ų3961.5 Ų61.518%0.18232%0.324CS..Hα-helixtrans-61.5-41.3176.5-67.6175.1-100112.2M11 L16 E52 L53 S58 Q59 A60M11-Q56 HydrophobicContact CE-CB 4.08Å; M11-Q56 HydrophobicContact CE-CG 3.74Å; L16-Q56 VanDerWaalsContact CD2-C 3.45Å; L16-Q56 HydrophobicContact CD2-CB 3.69Å; L16-Q56 WeakPolarHBondContact CD2-O 3.18Å; E52-Q56 WeakPolarHBondContact O-CG 3.5Å; E52-Q56 PolarHBondContact O-N 3.41Å; E52-Q56 PolarHBondContact OE1-NE2 2.9Å; L53-Q56 PolarHBondContact O-N 2.99Å; Q56-S58 VanDerWaalsContact C-N 3.28Å; Q56-S58 PolarHBondContact O-N 2.89Å; Q56-Q59 PolarHBondContact O-N 2.66Å; Q56-A60 WeakPolarHBondContact O-CB 3.45Å; Q56-A60 PolarHBondContact O-N 2.98Å
57L91.6Very high88.8Confident5 Ų557.9 Ų57.93%0.02632%0.316CS..Hα-helixtrans-62.2-37.5175.5-75168.4000111.6L16 L17 Y32 K35 C39 L53 F54 H55 A60 L61L16-L57 HydrophobicContact CD2-CD2 4.17Å; L16-L57 HydrophobicContact CD2-CG 4.38Å; L16-L57 HydrophobicContact CG-CD2 4.02Å; L17-L57 HydrophobicContact CD2-CD2 3.74Å; L17-L57 HydrophobicContact CG-CD2 4.41Å; Y32-L57 HydrophobicContact CD2-CB 4.12Å; Y32-L57 WeakPolarHBondContact CD2-O 3.37Å; Y32-L57 HydrophobicContact CE2-CB 4.02Å; Y32-L57 WeakPolarHBondContact CE2-O 3.18Å; K35-L57 HydrophobicContact CB-CD1 3.84Å; K35-L57 HydrophobicContact CB-CD2 4.07Å; K35-L57 HydrophobicContact CD-CD2 3.96Å; C39-L57 HydrophobicContact CB-CD1 4.27Å; L53-L57 WeakPolarHBondContact O-CB 3.33Å; L53-L57 WeakPolarHBondContact O-CG 3.42Å; L53-L57 PolarHBondContact O-N 3.25Å; F54-L57 PolarHBondContact O-N 3.31Å; H55-L57 PolarHBondContact O-N 3.44Å; L57-A60 PolarHBondContact O-N 3.41Å; L57-L61 PolarHBondContact O-N 3.16Å
58S91.1Very high89.2Confident33 Ų3357.7 Ų57.723%0.23132%0.324CS..Hα-helixtrans-70.7-41.4179.2-57.60000111.3Y32 F54 H55 Q56 L61 E62Y32-S58 PolarHBondContact OH-OG 3.07Å; Y32-S58 VanDerWaalsContact OH-OG 3.06Å; F54-S58 WeakPolarHBondContact O-CB 3.41Å; F54-S58 PolarHBondContact O-N 3.02Å; F54-S58 PolarHBondContact O-OG 3.34Å; H55-S58 WeakPolarHBondContact O-CB 3.41Å; H55-S58 PolarHBondContact O-N 3.41Å; H55-S58 VanDerWaalsContact O-N 3.16Å; Q56-S58 VanDerWaalsContact C-N 3.28Å; Q56-S58 PolarHBondContact O-N 2.89Å; S58-L61 PolarHBondContact O-N 3.03Å; S58-E62 PolarHBondContact O-N 2.8Å
59Q90.6Very high89.8Confident24 Ų2453.9 Ų53.911%0.11230%0.302CS..Hα-helixtrans-62.9-41.8172.1-67.7179.713.400112I8 H55 Q56 L61 E62 V63I8-Q59 HydrophobicContact CD1-CB 4.46Å; H55-Q59 PolarHBondContact CD2-NE2 2.89Å; H55-Q59 PolarHBondContact NE2-NE2 3.36Å; H55-Q59 WeakPolarHBondContact O-CG 3.5Å; H55-Q59 PolarHBondContact O-N 3.49Å; Q56-Q59 PolarHBondContact O-N 2.66Å; Q59-L61 VanDerWaalsContact C-N 3.33Å; Q59-L61 PolarHBondContact O-N 2.83Å; Q59-E62 PolarHBondContact O-N 3.46Å; Q59-V63 WeakPolarHBondContact O-CG2 3.41Å; Q59-V63 PolarHBondContact O-N 2.99Å; Q59-V63 VanDerWaalsContact O-N 3.07Å
60A90.9Very high90.1Very high0 Ų049.4 Ų49.40%028%0.283CS..Hα-helixtrans-61.8-41.7176.400000111.8L13 L16 L17 Q56 L57 L64L13-A60 HydrophobicContact CB-CB 4.1Å; L13-A60 HydrophobicContact CD2-CB 3.93Å; L16-A60 HydrophobicContact CD2-CB 4.02Å; L17-A60 HydrophobicContact CD1-CB 4.24Å; L17-A60 HydrophobicContact CG-CB 4.35Å; Q56-A60 WeakPolarHBondContact O-CB 3.45Å; Q56-A60 PolarHBondContact O-N 2.98Å; L57-A60 PolarHBondContact O-N 3.41Å; A60-L64 WeakPolarHBondContact O-CB 3.36Å; A60-L64 WeakPolarHBondContact O-CG 3.36Å; A60-L64 PolarHBondContact O-N 3.45Å
61L92.9Very high90.4Very high34 Ų3452 Ų5218%0.17831%0.305CS..Hα-helixtrans-61.8-47.4174.9-178.571.3000111.5I28 K29 Y32 L57 S58 Q59 V63 L64 T65I28-L61 HydrophobicContact CG2-CD1 3.95Å; K29-L61 HydrophobicContact CG-CD1 4.07Å; Y32-L61 HydrophobicContact CD1-CD2 3.6Å; Y32-L61 HydrophobicContact CD2-CB 3.88Å; Y32-L61 HydrophobicContact CD2-CD2 4.08Å; Y32-L61 HydrophobicContact CD2-CG 4.43Å; Y32-L61 HydrophobicContact CE1-CD2 3.73Å; Y32-L61 HydrophobicContact CE2-CB 4.25Å; Y32-L61 HydrophobicContact CE2-CD2 4.22Å; Y32-L61 HydrophobicContact CG-CB 4.17Å; Y32-L61 HydrophobicContact CG-CD1 4.13Å; Y32-L61 HydrophobicContact CG-CD2 3.77Å; Y32-L61 HydrophobicContact CG-CG 4.25Å; L57-L61 PolarHBondContact O-N 3.16Å; S58-L61 PolarHBondContact O-N 3.03Å; Q59-L61 VanDerWaalsContact C-N 3.33Å; Q59-L61 PolarHBondContact O-N 2.83Å; L61-V63 PolarHBondContact O-N 3.46Å; L61-L64 PolarHBondContact O-N 3.47Å; L61-T65 HydrophobicContact CD1-CG2 3.58Å; L61-T65 HydrophobicContact CG-CG2 4.07Å; L61-T65 VanDerWaalsContact O-CB 3.28Å; L61-T65 WeakPolarHBondContact O-CB 3.14Å; L61-T65 VanDerWaalsContact O-CG2 3.23Å; L61-T65 WeakPolarHBondContact O-CG2 3.49Å; L61-T65 PolarHBondContact O-N 3.15Å; L61-T65 PolarHBondContact O-OG1 3.15Å
62E91.6Very high90.6Very high139 Ų13952 Ų5265%0.6530%0.304SS*.Hα-helixtrans-56.2-50.3-179.5-172.8179.117700111.2S58 Q59 T65 D66S58-E62 PolarHBondContact O-N 2.8Å; Q59-E62 PolarHBondContact O-N 3.46Å; E62-T65 PolarHBondContact O-OG1 3.28Å; E62-D66 PolarHBondContact O-N 3.43Å
63V91.3Very high90.8Very high19 Ų1946.9 Ų46.912%0.11528%0.28CS..Hα-helixtrans-69.1-39.4-178.2175.40000112.3I8 L13 Q59 L61 A69 K70 Y73I8-V63 HydrophobicContact CD1-CG2 4.24Å; I8-V63 HydrophobicContact CG2-CG1 4.36Å; I8-V63 HydrophobicContact CG2-CG2 3.78Å; L13-V63 HydrophobicContact CD1-CB 3.87Å; L13-V63 HydrophobicContact CD1-CG1 3.57Å; L13-V63 HydrophobicContact CD1-CG2 4.49Å; Q59-V63 WeakPolarHBondContact O-CG2 3.41Å; Q59-V63 PolarHBondContact O-N 2.99Å; Q59-V63 VanDerWaalsContact O-N 3.07Å; L61-V63 PolarHBondContact O-N 3.46Å; V63-A69 HydrophobicContact CG1-CB 4.22Å; V63-K70 PolarHBondContact O-N 3.16Å; V63-K70 VanDerWaalsContact O-N 3.15Å; V63-Y73 HydrophobicContact CG1-CG 4.49Å
64L91.3Very high91Very high1 Ų146 Ų461%0.00528%0.275CS..Hα-helixtrans-82.6-14-176.9-66.1176.3000113.7L13 Y14 L17 I28 A60 L61 K70 Y73L13-L64 HydrophobicContact CB-CD1 3.9Å; L13-L64 HydrophobicContact CB-CD2 4.39Å; L13-L64 HydrophobicContact CB-CG 4.19Å; L13-L64 HydrophobicContact CD1-CD2 4.45Å; L13-L64 HydrophobicContact CD1-CG 4.39Å; Y14-L64 HydrophobicContact CD1-CD1 4.11Å; Y14-L64 HydrophobicContact CD1-CD2 4.21Å; Y14-L64 HydrophobicContact CE1-CD1 4.17Å; Y14-L64 HydrophobicContact CE1-CD2 3.55Å; Y14-L64 HydrophobicContact CE1-CG 4.48Å; Y14-L64 HydrophobicContact CE2-CD2 4.07Å; Y14-L64 VanDerWaalsContact CZ-CD2 3.47Å; L17-L64 HydrophobicContact CD1-CD1 3.6Å; I28-L64 HydrophobicContact CD1-CB 4.15Å; I28-L64 HydrophobicContact CG2-CB 4.01Å; A60-L64 WeakPolarHBondContact O-CB 3.36Å; A60-L64 WeakPolarHBondContact O-CG 3.36Å; A60-L64 PolarHBondContact O-N 3.45Å; L61-L64 PolarHBondContact O-N 3.47Å; L64-K70 HydrophobicContact CD2-CG 4.26Å; L64-Y73 HydrophobicContact CD2-CD1 4.49Å
65T91.4Very high91.1Very high50 Ų5051.2 Ų51.231%0.30730%0.298SS..Hα-helixtrans-93.9-25.1176.754.80000113.5I28 K29 L61 E62I28-T65 HydrophobicContact CG2-CG2 4.32Å; K29-T65 HydrophobicContact CG-CG2 4.18Å; L61-T65 HydrophobicContact CD1-CG2 3.58Å; L61-T65 HydrophobicContact CG-CG2 4.07Å; L61-T65 VanDerWaalsContact O-CB 3.28Å; L61-T65 WeakPolarHBondContact O-CB 3.14Å; L61-T65 VanDerWaalsContact O-CG2 3.23Å; L61-T65 WeakPolarHBondContact O-CG2 3.49Å; L61-T65 PolarHBondContact O-N 3.15Å; L61-T65 PolarHBondContact O-OG1 3.15Å; E62-T65 PolarHBondContact O-OG1 3.28Å
66D92.3Very high91.2Very high81 Ų8150.1 Ų50.143%0.43330%0.295SS..SBendtrans-79.6122.7167.3173.322000110.9E62 A68 A69 K70E62-D66 PolarHBondContact O-N 3.43Å; D66-A68 VanDerWaalsContact C-N 3.3Å; D66-A68 PolarHBondContact O-N 3.08Å; D66-A68 PolarHBondContact OD1-N 2.9Å; D66-A69 HydrophobicContact CB-CB 3.92Å; D66-A69 PolarHBondContact O-N 3.29Å; D66-A69 VanDerWaalsContact OD2-CB 3.31Å; D66-A69 WeakPolarHBondContact OD2-CB 3.3Å; D66-A69 PolarHBondContact OD2-N 3.11Å; D66-A69 VanDerWaalsContact OD2-N 3.12Å; D66-K70 WeakPolarHBondContact O-CB 3.46Å; D66-K70 PolarHBondContact O-N 3.48Å
67A90.6Very high91.2Very high80 Ų8053.6 Ų53.666%0.66131%0.306SS*.Hα-helixtrans-61-37.3179.900000112.6A71A67-A71 VanDerWaalsContact O-CB 3.29Å; A67-A71 WeakPolarHBondContact O-CB 3.24Å; A67-A71 PolarHBondContact O-N 3.41Å; A67-A71 VanDerWaalsContact O-N 3.07Å
68A92.1Very high91.1Very high67 Ų6755.6 Ų55.655%0.55432%0.324SS*.Hα-helixtrans-72-48.2-18000000111.2D66 A71 A72D66-A68 VanDerWaalsContact C-N 3.3Å; D66-A68 PolarHBondContact O-N 3.08Å; D66-A68 PolarHBondContact OD1-N 2.9Å; A68-A71 PolarHBondContact O-N 3.16Å; A68-A72 PolarHBondContact O-N 2.69Å
69A90.4Very high91.1Very high30 Ų3056.4 Ų56.425%0.24833%0.333CS..Hα-helixtrans-61.9-43.3176.200000112.5V63 D66 A71 A72 Y73V63-A69 HydrophobicContact CG1-CB 4.22Å; D66-A69 HydrophobicContact CB-CB 3.92Å; D66-A69 PolarHBondContact O-N 3.29Å; D66-A69 VanDerWaalsContact OD2-CB 3.31Å; D66-A69 WeakPolarHBondContact OD2-CB 3.3Å; D66-A69 PolarHBondContact OD2-N 3.11Å; D66-A69 VanDerWaalsContact OD2-N 3.12Å; A69-A71 PolarHBondContact O-N 2.69Å; A69-A72 PolarHBondContact O-N 3.18Å; A69-Y73 WeakPolarHBondContact O-CB 3.44Å; A69-Y73 PolarHBondContact O-N 3.43Å
70K90.8Very high91.1Very high47 Ų4761.2 Ų61.220%0.20435%0.353CS..Hα-helixtrans-59.8-46.9175.8-175-178.2-175.1-64.40111.6Y14 V63 L64 D66 A72 Y73 D74Y14-K70 WeakPolarHBondContact OH-CE 3.41Å; Y14-K70 PolarHBondContact OH-NZ 3.36Å; Y14-K70 VanDerWaalsContact OH-NZ 3.09Å; V63-K70 PolarHBondContact O-N 3.16Å; V63-K70 VanDerWaalsContact O-N 3.15Å; L64-K70 HydrophobicContact CD2-CG 4.26Å; D66-K70 WeakPolarHBondContact O-CB 3.46Å; D66-K70 PolarHBondContact O-N 3.48Å; K70-A72 VanDerWaalsContact C-N 3.33Å; K70-A72 PolarHBondContact O-N 3.36Å; K70-Y73 PolarHBondContact O-N 3.37Å; K70-D74 IonicContact NZ-OD2 2.63Å; K70-D74 PolarHBondContact NZ-OD2 3.44Å; K70-D74 WeakPolarHBondContact O-CB 3.37Å; K70-D74 VanDerWaalsContact O-CG 3.26Å; K70-D74 PolarHBondContact O-N 2.97Å
71A91.3Very high91Very high59 Ų5968.2 Ų68.249%0.48838%0.383SS..Hα-helixtrans-62.2-40.6178.500000112.2A67 A68 A69 K75A67-A71 VanDerWaalsContact O-CB 3.29Å; A67-A71 WeakPolarHBondContact O-CB 3.24Å; A67-A71 PolarHBondContact O-N 3.41Å; A67-A71 VanDerWaalsContact O-N 3.07Å; A68-A71 PolarHBondContact O-N 3.16Å; A69-A71 PolarHBondContact O-N 2.69Å; A71-K75 VanDerWaalsContact O-CB 3.32Å; A71-K75 WeakPolarHBondContact O-CB 3.36Å; A71-K75 PolarHBondContact O-N 3.38Å
72A90.8Very high91Very high51 Ų5173 Ų7342%0.42141%0.405SS..Hα-helixtrans-65.3-44.5176.100000112A68 A69 K70 K75 I76A68-A72 PolarHBondContact O-N 2.69Å; A69-A72 PolarHBondContact O-N 3.18Å; K70-A72 VanDerWaalsContact C-N 3.33Å; K70-A72 PolarHBondContact O-N 3.36Å; A72-K75 PolarHBondContact O-N 2.88Å; A72-I76 WeakPolarHBondContact O-CG1 3.44Å; A72-I76 PolarHBondContact O-N 3.14Å; A72-I76 VanDerWaalsContact O-N 3.07Å
73Y90.6Very high91Very high10 Ų1068.1 Ų68.14%0.03939%0.388CS..Hα-helixtrans-60-50.1175.6177.2-99.7000111.6I8 L9 M11 D12 L13 Y14 V63 L64 A69 K70 K75 I76 R77I8-Y73 WeakPolarHBondContact O-CE2 3.48Å; L9-Y73 HydrophobicContact CD2-CD2 4.19Å; M11-Y73 PolarHBondContact O-OH 3.45Å; D12-Y73 WeakPolarHBondContact CA-OH 3.34Å; L13-Y73 HydrophobicContact CB-CE1 4.26Å; L13-Y73 HydrophobicContact CD1-CD1 4.21Å; L13-Y73 HydrophobicContact CD1-CD2 3.75Å; L13-Y73 HydrophobicContact CD1-CE1 4.09Å; L13-Y73 HydrophobicContact CD1-CE2 3.64Å; L13-Y73 HydrophobicContact CD1-CG 4.05Å; L13-Y73 HydrophobicContact CG-CD2 4.37Å; L13-Y73 HydrophobicContact CG-CE1 4.2Å; L13-Y73 HydrophobicContact CG-CE2 3.74Å; L13-Y73 PolarHBondContact N-OH 3.3Å; L13-Y73 VanDerWaalsContact N-OH 3.07Å; Y14-Y73 AromaticContact CD2-CE1 3.95Å; Y14-Y73 HydrophobicContact CD2-CE1 3.95Å; Y14-Y73 HydrophobicContact CE2-CD1 4.02Å; Y14-Y73 AromaticContact CE2-CE1 3.65Å; Y14-Y73 HydrophobicContact CE2-CE1 3.65Å; V63-Y73 HydrophobicContact CG1-CG 4.49Å; L64-Y73 HydrophobicContact CD2-CD1 4.49Å; A69-Y73 WeakPolarHBondContact O-CB 3.44Å; A69-Y73 PolarHBondContact O-N 3.43Å; K70-Y73 PolarHBondContact O-N 3.37Å; Y73-K75 VanDerWaalsContact C-N 3.32Å; Y73-K75 PolarHBondContact O-N 2.95Å; Y73-I76 PolarHBondContact O-N 3.15Å; Y73-R77 WeakPolarHBondContact O-CB 3.46Å; Y73-R77 PolarHBondContact O-N 2.96Å
74D91.4Very high90.9Very high47 Ų4773.6 Ų73.625%0.25141%0.413SS..Hα-helixtrans-60.4-41.2179.7-72.5-19.1000111.3Y14 K70 R77 A78Y14-D74 VanDerWaalsContact CE2-OD1 3.27Å; Y14-D74 WeakPolarHBondContact CE2-OD1 3.48Å; Y14-D74 VanDerWaalsContact OH-CG 3.27Å; Y14-D74 PolarHBondContact OH-OD1 2.99Å; Y14-D74 PolarHBondContact OH-OD2 3.44Å; Y14-D74 VanDerWaalsContact OH-OD2 3.13Å; K70-D74 IonicContact NZ-OD2 2.63Å; K70-D74 PolarHBondContact NZ-OD2 3.44Å; K70-D74 WeakPolarHBondContact O-CB 3.37Å; K70-D74 VanDerWaalsContact O-CG 3.26Å; K70-D74 PolarHBondContact O-N 2.97Å; D74-R77 PolarHBondContact O-N 2.94Å; D74-A78 WeakPolarHBondContact O-CB 3.48Å; D74-A78 PolarHBondContact O-N 3.44Å
75K91.7Very high90.9Very high161 Ų16178.1 Ų78.170%0.743%0.434SS*.Hα-helixtrans-62.6-44.7176.6-174.3176.9-177.1177.60112.3A71 A72 Y73 A78 A79A71-K75 VanDerWaalsContact O-CB 3.32Å; A71-K75 WeakPolarHBondContact O-CB 3.36Å; A71-K75 PolarHBondContact O-N 3.38Å; A72-K75 PolarHBondContact O-N 2.88Å; Y73-K75 VanDerWaalsContact C-N 3.32Å; Y73-K75 PolarHBondContact O-N 2.95Å; K75-A78 PolarHBondContact O-N 2.89Å; K75-A79 WeakPolarHBondContact O-CB 3.32Å; K75-A79 PolarHBondContact O-N 3.31Å
76I90.3Very high90.9Very high75 Ų7583.3 Ų83.339%0.38545%0.448SS..Hα-helixtrans-68.1-42180-69.4165.9000110.5L9 A72 Y73 A78 A79 K80L9-I76 HydrophobicContact CD1-CD1 3.86Å; L9-I76 HydrophobicContact CD2-CB 4.15Å; L9-I76 HydrophobicContact CD2-CD1 3.42Å; L9-I76 VanDerWaalsContact CD2-CD1 3.42Å; L9-I76 HydrophobicContact CD2-CG1 4.37Å; L9-I76 HydrophobicContact CD2-CG2 4.11Å; L9-I76 HydrophobicContact CG-CD1 4.28Å; A72-I76 WeakPolarHBondContact O-CG1 3.44Å; A72-I76 PolarHBondContact O-N 3.14Å; A72-I76 VanDerWaalsContact O-N 3.07Å; Y73-I76 PolarHBondContact O-N 3.15Å; I76-A78 PolarHBondContact O-N 3.25Å; I76-A79 PolarHBondContact O-N 2.94Å; I76-K80 WeakPolarHBondContact O-CB 3.34Å; I76-K80 PolarHBondContact O-N 3.02Å
77R89.8Confident90.7Very high112 Ų11283.5 Ų83.542%0.42345%0.449SS..Hα-helixtrans-60.3-45.5175.2-175.2179-176.4-111.95.6111.6Y73 D74 K80 K81Y73-R77 WeakPolarHBondContact O-CB 3.46Å; Y73-R77 PolarHBondContact O-N 2.96Å; D74-R77 PolarHBondContact O-N 2.94Å; R77-K80 PolarHBondContact O-N 3.44Å; R77-K81 PolarHBondContact O-N 3.47Å
78A90.4Very high90.7Very high48 Ų4886.4 Ų86.440%0.39745%0.446SS..Hα-helixtrans-62.5-46176.700000111.8D74 K75 I76 K80 K81 Q82D74-A78 WeakPolarHBondContact O-CB 3.48Å; D74-A78 PolarHBondContact O-N 3.44Å; K75-A78 PolarHBondContact O-N 2.89Å; I76-A78 PolarHBondContact O-N 3.25Å; A78-K80 VanDerWaalsContact C-N 3.34Å; A78-K80 PolarHBondContact O-N 3.44Å; A78-K81 PolarHBondContact O-N 2.92Å; A78-Q82 WeakPolarHBondContact O-CB 3.36Å; A78-Q82 WeakPolarHBondContact O-CG 3.44Å; A78-Q82 PolarHBondContact O-N 2.92Å
79A91.5Very high90.6Very high50 Ų5089.2 Ų89.241%0.41345%0.446SS..Hα-helixtrans-61.6-41177.500000112.2K75 I76 Q82 A83K75-A79 WeakPolarHBondContact O-CB 3.32Å; K75-A79 PolarHBondContact O-N 3.31Å; I76-A79 PolarHBondContact O-N 2.94Å; A79-Q82 PolarHBondContact O-N 2.92Å; A79-A83 WeakPolarHBondContact O-CB 3.37Å; A79-A83 PolarHBondContact O-N 2.88Å
80K89.6Confident90.5Very high124 Ų12491.5 Ų91.554%0.53945%0.454SS..Hα-helixtrans-62.2-47.7175.8-172.8-179.5177.7-173.90111.3I76 R77 A78 Q82 A83 E84I76-K80 WeakPolarHBondContact O-CB 3.34Å; I76-K80 PolarHBondContact O-N 3.02Å; R77-K80 PolarHBondContact O-N 3.44Å; A78-K80 VanDerWaalsContact C-N 3.34Å; A78-K80 PolarHBondContact O-N 3.44Å; K80-Q82 PolarHBondContact O-N 3.42Å; K80-A83 PolarHBondContact O-N 3.48Å; K80-E84 WeakPolarHBondContact O-CB 3.2Å; K80-E84 PolarHBondContact O-N 2.97Å
81K89.5Confident90.4Very high147 Ų14793.3 Ų93.364%0.63947%0.466SS*.Hα-helixtrans-60.3-43.9177.4-173.6178.3178.8-178.70111.9R77 A78 E84 E85R77-K81 PolarHBondContact O-N 3.47Å; A78-K81 PolarHBondContact O-N 2.92Å; K81-E84 PolarHBondContact O-N 3.31Å; K81-E85 WeakPolarHBondContact O-CB 3.44Å; K81-E85 PolarHBondContact O-N 3.15Å
82Q91.9Very high90.4Very high136 Ų13694.9 Ų94.964%0.63647%0.466SS*.Hα-helixtrans-64.7-40.5176.5-73.5177.4-4.200112.4A78 A79 K80 E85 R86A78-Q82 WeakPolarHBondContact O-CB 3.36Å; A78-Q82 WeakPolarHBondContact O-CG 3.44Å; A78-Q82 PolarHBondContact O-N 2.92Å; A79-Q82 PolarHBondContact O-N 2.92Å; K80-Q82 PolarHBondContact O-N 3.42Å; Q82-E85 PolarHBondContact O-N 3.11Å; Q82-R86 WeakPolarHBondContact O-CB 3.49Å; Q82-R86 PolarHBondContact O-N 3.09Å
83A92.1Very high90.4Very high36 Ų3699.2 Ų99.230%0.29848%0.475SS..Hα-helixtrans-64.6-42.8177.300000111.9A79 K80 R86 N87A79-A83 WeakPolarHBondContact O-CB 3.37Å; A79-A83 PolarHBondContact O-N 2.88Å; K80-A83 PolarHBondContact O-N 3.48Å; A83-R86 PolarHBondContact O-N 3.39Å; A83-N87 PolarHBondContact O-N 2.93Å
84E89.1Confident90.6Very high134 Ų134106.5 Ų106.563%0.62650%0.503SS*.Hα-helixtrans-62.6-44.4175.7-174173.9-172.300111.5K80 K81 R86 N87 K88K80-E84 WeakPolarHBondContact O-CB 3.2Å; K80-E84 PolarHBondContact O-N 2.97Å; K81-E84 PolarHBondContact O-N 3.31Å; E84-R86 VanDerWaalsContact C-N 3.34Å; E84-R86 PolarHBondContact O-N 3.33Å; E84-N87 PolarHBondContact O-N 3.26Å; E84-K88 WeakPolarHBondContact O-CB 3.42Å; E84-K88 PolarHBondContact O-N 3.18Å
85E91.5Very high90.6Very high95 Ų95111 Ų11144%0.44452%0.52SS..Hα-helixtrans-63.3-40.4176.7-165.8-174152.700112.2K81 Q82 K88 K89K81-E85 WeakPolarHBondContact O-CB 3.44Å; K81-E85 PolarHBondContact O-N 3.15Å; Q82-E85 PolarHBondContact O-N 3.11Å; E85-K88 PolarHBondContact O-N 2.93Å; E85-K89 HydrophobicContact CG-CD 4.44Å; E85-K89 WeakPolarHBondContact O-CB 3.24Å; E85-K89 WeakPolarHBondContact O-CG 3.43Å; E85-K89 PolarHBondContact O-N 3.41Å; E85-K89 WeakPolarHBondContact OE1-CE 3.44Å; E85-K89 IonicContact OE1-NZ 2.88Å; E85-K89 PolarHBondContact OE1-NZ 3.39Å
86R91.1Very high90.8Very high160 Ų160111 Ų11160%0.60452%0.52SS*.Hα-helixtrans-63.1-45.3174.2-177.5-178.464-168.9-2.2111.4Q82 A83 E84 K89 L90Q82-R86 WeakPolarHBondContact O-CB 3.49Å; Q82-R86 PolarHBondContact O-N 3.09Å; A83-R86 PolarHBondContact O-N 3.39Å; E84-R86 VanDerWaalsContact C-N 3.34Å; E84-R86 PolarHBondContact O-N 3.33Å; R86-K89 PolarHBondContact O-N 2.89Å; R86-L90 HydrophobicContact CG-CD1 4.28Å; R86-L90 WeakPolarHBondContact O-CG 3.46Å; R86-L90 PolarHBondContact O-N 3Å
87N87.6Confident91.1Very high85 Ų85112.1 Ų112.146%0.45553%0.526SS..Hα-helixtrans-61.2-45.9177.1-79.30.3000110.9A83 E84 K89 L90 D91A83-N87 PolarHBondContact O-N 2.93Å; E84-N87 PolarHBondContact O-N 3.26Å; N87-K89 PolarHBondContact O-N 3.48Å; N87-L90 WeakPolarHBondContact O-CB 3.29Å; N87-L90 PolarHBondContact O-N 3.15Å; N87-L90 VanDerWaalsContact O-N 3.11Å; N87-D91 PolarHBondContact O-N 3.21Å
88K91.1Very high91.3Very high140 Ų140113.9 Ų113.961%0.60954%0.537SS*.Hα-helixtrans-56.7-47.2175.2-173178.2179.6-1800112.1E84 E85 L90 D91 D92E84-K88 WeakPolarHBondContact O-CB 3.42Å; E84-K88 PolarHBondContact O-N 3.18Å; E85-K88 PolarHBondContact O-N 2.93Å; K88-L90 VanDerWaalsContact C-N 3.32Å; K88-L90 PolarHBondContact O-N 3.16Å; K88-D91 PolarHBondContact O-N 2.86Å; K88-D92 PolarHBondContact O-N 3.26Å
89K90.4Very high91.5Very high126 Ų126116.4 Ų116.455%0.54854%0.543SS..Hα-helixtrans-61-38.8176-77.6170.3170.1164.10112.6E85 R86 N87 K93E85-K89 HydrophobicContact CG-CD 4.44Å; E85-K89 WeakPolarHBondContact O-CB 3.24Å; E85-K89 WeakPolarHBondContact O-CG 3.43Å; E85-K89 PolarHBondContact O-N 3.41Å; E85-K89 WeakPolarHBondContact OE1-CE 3.44Å; E85-K89 IonicContact OE1-NZ 2.88Å; E85-K89 PolarHBondContact OE1-NZ 3.39Å; R86-K89 PolarHBondContact O-N 2.89Å; N87-K89 PolarHBondContact O-N 3.48Å; K89-K93 WeakPolarHBondContact O-CB 3.35Å; K89-K93 PolarHBondContact O-N 2.97Å; K89-K93 VanDerWaalsContact O-N 3.09Å
90L87.9Confident91.6Very high79 Ų79117.5 Ų117.541%0.41454%0.542SS..Hα-helixtrans-66.1-40.8175.3-72.6171.4000111.4R86 N87 K88 K93 R94R86-L90 HydrophobicContact CG-CD1 4.28Å; R86-L90 WeakPolarHBondContact O-CG 3.46Å; R86-L90 PolarHBondContact O-N 3Å; N87-L90 WeakPolarHBondContact O-CB 3.29Å; N87-L90 PolarHBondContact O-N 3.15Å; N87-L90 VanDerWaalsContact O-N 3.11Å; K88-L90 VanDerWaalsContact C-N 3.32Å; K88-L90 PolarHBondContact O-N 3.16Å; L90-K93 PolarHBondContact O-N 2.72Å; L90-R94 WeakPolarHBondContact O-CB 3.31Å; L90-R94 VanDerWaalsContact O-CG 3.24Å; L90-R94 WeakPolarHBondContact O-CG 3.27Å; L90-R94 PolarHBondContact O-N 3.3Å
91D89.1Confident91.9Very high84 Ų84116.8 Ų116.845%0.44954%0.543SS..Hα-helixtrans-67.8-40.9178.9-68.4-26.2000111.9N87 K88 K93 R94 K95N87-D91 PolarHBondContact O-N 3.21Å; K88-D91 PolarHBondContact O-N 2.86Å; D91-K93 VanDerWaalsContact C-N 3.32Å; D91-K93 PolarHBondContact O-N 2.97Å; D91-R94 PolarHBondContact O-N 3.31Å; D91-R94 IonicContact OD1-NH1 2.77Å; D91-K95 WeakPolarHBondContact O-CB 3.33Å; D91-K95 PolarHBondContact O-N 3.48Å
92D91Very high92.1Very high93 Ų93113.7 Ų113.750%0.49753%0.531SS..Hα-helixtrans-60-43.3172.6-70.6-30.4000111.4K88 K95 K96K88-D92 PolarHBondContact O-N 3.26Å; D92-K95 PolarHBondContact O-N 2.97Å; D92-K96 PolarHBondContact O-N 2.85Å
93K91.5Very high92.3Very high142 Ų142108.5 Ų108.562%0.61751%0.512SS*.Hα-helixtrans-64.9-44.3176.7-170.4175.5-177-179.90111.7K89 L90 D91 K96 I97K89-K93 WeakPolarHBondContact O-CB 3.35Å; K89-K93 PolarHBondContact O-N 2.97Å; K89-K93 VanDerWaalsContact O-N 3.09Å; L90-K93 PolarHBondContact O-N 2.72Å; D91-K93 VanDerWaalsContact C-N 3.32Å; D91-K93 PolarHBondContact O-N 2.97Å; K93-K96 PolarHBondContact O-N 3.29Å; K93-I97 HydrophobicContact CG-CD1 4.12Å; K93-I97 WeakPolarHBondContact O-CG1 3.29Å; K93-I97 PolarHBondContact O-N 2.83Å
94R93.4Very high92.4Very high162 Ų162114.3 Ų114.361%0.61153%0.526SS*.Hα-helixtrans-60.8-44.7176.2-75.9168.4174.1-178.3-5.2111.3L90 D91 K96 I97 K98L90-R94 WeakPolarHBondContact O-CB 3.31Å; L90-R94 VanDerWaalsContact O-CG 3.24Å; L90-R94 WeakPolarHBondContact O-CG 3.27Å; L90-R94 PolarHBondContact O-N 3.3Å; D91-R94 PolarHBondContact O-N 3.31Å; D91-R94 IonicContact OD1-NH1 2.77Å; R94-K96 PolarHBondContact O-N 3.44Å; R94-I97 PolarHBondContact O-N 3.43Å; R94-K98 WeakPolarHBondContact O-CB 3.48Å; R94-K98 PolarHBondContact O-N 2.98Å
95K92.8Very high92.7Very high141 Ų141113.1 Ų113.161%0.61352%0.52SS*.Hα-helixtrans-59.9-45.2176.1-174.7179-180-179.40111.4D91 D92 K98 L99D91-K95 WeakPolarHBondContact O-CB 3.33Å; D91-K95 PolarHBondContact O-N 3.48Å; D92-K95 PolarHBondContact O-N 2.97Å; K95-K98 PolarHBondContact O-N 3.21Å; K95-L99 HydrophobicContact CG-CD1 4.23Å; K95-L99 WeakPolarHBondContact O-CG 3.39Å; K95-L99 PolarHBondContact O-N 3.33Å
96K95.4Very high92.9Very high163 Ų163115.7 Ų115.771%0.70953%0.526SS*.Hα-helixtrans-61.4-44.6176.7-173.7177.8179.3179.70112.1D92 K93 R94 L99 D100D92-K96 PolarHBondContact O-N 2.85Å; K93-K96 PolarHBondContact O-N 3.29Å; R94-K96 PolarHBondContact O-N 3.44Å; K96-L99 PolarHBondContact O-N 3.1Å; K96-D100 PolarHBondContact O-N 2.93Å
97I96.2Very high93Very high98 Ų98115.3 Ų115.350%0.50352%0.524SS..Hα-helixtrans-62.6-45.1177.7-69.4166.8000110.6K93 R94 L99 D100 L101K93-I97 HydrophobicContact CG-CD1 4.12Å; K93-I97 WeakPolarHBondContact O-CG1 3.29Å; K93-I97 PolarHBondContact O-N 2.83Å; R94-I97 PolarHBondContact O-N 3.43Å; I97-L99 PolarHBondContact O-N 3.32Å; I97-D100 PolarHBondContact O-N 3.42Å; I97-L101 WeakPolarHBondContact O-CB 3.35Å; I97-L101 PolarHBondContact O-N 2.99Å
98K94.3Very high93.4Very high149 Ų149113.8 Ų113.865%0.64852%0.524SS*.Hα-helixtrans-57.6-48.2177.4-176.4-178.1176.3-177.20111.5R94 K95 D100 L101 E102R94-K98 WeakPolarHBondContact O-CB 3.48Å; R94-K98 PolarHBondContact O-N 2.98Å; K95-K98 PolarHBondContact O-N 3.21Å; K98-D100 PolarHBondContact O-N 3.03Å; K98-L101 PolarHBondContact O-N 3.01Å; K98-E102 WeakPolarHBondContact O-CB 3.39Å; K98-E102 PolarHBondContact O-N 3.45Å
99L93.9Very high93.5Very high100 Ų100112 Ų11252%0.52452%0.517SS..Hα-helixtrans-64-39.6179.5-72.7170.5000112.6K95 K96 I97 A103K95-L99 HydrophobicContact CG-CD1 4.23Å; K95-L99 WeakPolarHBondContact O-CG 3.39Å; K95-L99 PolarHBondContact O-N 3.33Å; K96-L99 PolarHBondContact O-N 3.1Å; I97-L99 PolarHBondContact O-N 3.32Å; L99-A103 VanDerWaalsContact O-CB 3.28Å; L99-A103 WeakPolarHBondContact O-CB 3.38Å; L99-A103 PolarHBondContact O-N 3.33Å
100D95.3Very high93.7Very high74 Ų74108.4 Ų108.440%0.39651%0.511SS..Hα-helixtrans-66.1-41.1176.5-17361.5000111.7K96 I97 K98 A103 R104K96-D100 PolarHBondContact O-N 2.93Å; I97-D100 PolarHBondContact O-N 3.42Å; K98-D100 PolarHBondContact O-N 3.03Å; D100-A103 PolarHBondContact O-N 3.49Å; D100-R104 WeakPolarHBondContact O-CG 3.39Å; D100-R104 PolarHBondContact O-N 3.3Å; D100-R104 IonicContact OD1-NE 3.09Å; D100-R104 IonicContact OD2-CZ 2.72Å; D100-R104 IonicContact OD2-NE 3.59Å; D100-R104 PolarHBondContact OD2-NE 3.4Å; D100-R104 VanDerWaalsContact OD2-NE 3.1Å; D100-R104 IonicContact OD2-NH2 2.69Å; D100-R104 PolarHBondContact OD2-NH2 2.84Å
101L94.5Very high93.8Very high109 Ų109110.7 Ų110.757%0.57152%0.519SS*.Hα-helixtrans-65.1-48178.4-167.6135000111.5I97 K98 A103 R104 E105I97-L101 WeakPolarHBondContact O-CB 3.35Å; I97-L101 PolarHBondContact O-N 2.99Å; K98-L101 PolarHBondContact O-N 3.01Å; L101-A103 VanDerWaalsContact C-N 3.3Å; L101-A103 PolarHBondContact O-N 3.45Å; L101-R104 PolarHBondContact O-N 3.01Å; L101-R104 VanDerWaalsContact O-N 3.11Å; L101-E105 PolarHBondContact O-N 3.17Å
102E94.6Very high94Very high81 Ų81109.7 Ų109.738%0.37952%0.519SS..Hα-helixtrans-61.7-38.3176.6-169.4-172.2148.500111.8K98 R104 E105 R106K98-E102 WeakPolarHBondContact O-CB 3.39Å; K98-E102 PolarHBondContact O-N 3.45Å; E102-R104 VanDerWaalsContact C-N 3.33Å; E102-R104 PolarHBondContact O-N 3.36Å; E102-E105 PolarHBondContact O-N 2.95Å; E102-R106 WeakPolarHBondContact O-CB 3.43Å; E102-R106 PolarHBondContact O-N 2.96Å; E102-R106 IonicContact OE1-NH2 3.94Å; E102-R106 PolarHBondContact OE1-NH2 3.39Å
103A95.9Very high94Very high28 Ų28111.3 Ų111.323%0.23152%0.524CS..Hα-helixtrans-67.4-33.1175.800000112.7L99 D100 L101 R107L99-A103 VanDerWaalsContact O-CB 3.28Å; L99-A103 WeakPolarHBondContact O-CB 3.38Å; L99-A103 PolarHBondContact O-N 3.33Å; D100-A103 PolarHBondContact O-N 3.49Å; L101-A103 VanDerWaalsContact C-N 3.3Å; L101-A103 PolarHBondContact O-N 3.45Å; A103-R107 VanDerWaalsContact O-CG 3.3Å; A103-R107 WeakPolarHBondContact O-CG 3.25Å; A103-R107 PolarHBondContact O-N 3.4Å
104R95Very high94Very high158 Ų158110.4 Ų110.460%0.59652%0.522SS*.Hα-helixtrans-71.7-44.8173.7-72.6179.3-161.4-169.74.7111.5D100 L101 E102 R106 R107 A108D100-R104 WeakPolarHBondContact O-CG 3.39Å; D100-R104 PolarHBondContact O-N 3.3Å; D100-R104 IonicContact OD1-NE 3.09Å; D100-R104 IonicContact OD2-CZ 2.72Å; D100-R104 IonicContact OD2-NE 3.59Å; D100-R104 PolarHBondContact OD2-NE 3.4Å; D100-R104 VanDerWaalsContact OD2-NE 3.1Å; D100-R104 IonicContact OD2-NH2 2.69Å; D100-R104 PolarHBondContact OD2-NH2 2.84Å; L101-R104 PolarHBondContact O-N 3.01Å; L101-R104 VanDerWaalsContact O-N 3.11Å; E102-R104 VanDerWaalsContact C-N 3.33Å; E102-R104 PolarHBondContact O-N 3.36Å; R104-R106 PolarHBondContact O-N 2.91Å; R104-R107 PolarHBondContact O-N 2.95Å; R104-A108 PolarHBondContact O-N 3.11Å
105E94.4Very high94Very high108 Ų108109.3 Ų109.351%0.50552%0.524SS..Hα-helixtrans-58.2-49177.7-173.4170.1-155.700110.8L101 E102 R107 A108 E109L101-E105 PolarHBondContact O-N 3.17Å; E102-E105 PolarHBondContact O-N 2.95Å; E105-R107 VanDerWaalsContact C-N 3.29Å; E105-R107 PolarHBondContact O-N 3.4Å; E105-A108 PolarHBondContact O-N 3.48Å; E105-A108 VanDerWaalsContact O-N 3.09Å; E105-E109 WeakPolarHBondContact O-CG 3.43Å; E105-E109 PolarHBondContact O-N 2.88Å
106R95.3Very high94.1Very high149 Ų149107 Ų10756%0.56252%0.521SS*.Hα-helixtrans-57.9-38.9175.8-172-178.1-58.8149.66.9113.4E102 R104 A110E102-R106 WeakPolarHBondContact O-CB 3.43Å; E102-R106 PolarHBondContact O-N 2.96Å; E102-R106 IonicContact OE1-NH2 3.94Å; E102-R106 PolarHBondContact OE1-NH2 3.39Å; R104-R106 PolarHBondContact O-N 2.91Å; R106-A110 WeakPolarHBondContact O-CB 3.35Å; R106-A110 PolarHBondContact O-N 2.8Å
107R94.4Very high94Very high153 Ų153105.8 Ų105.858%0.57752%0.518SS*.Hα-helixtrans-67.8-42.3176.9-73.8179.3-163.1116.4-3.5111.4A103 R104 E105 A110 Q111A103-R107 VanDerWaalsContact O-CG 3.3Å; A103-R107 WeakPolarHBondContact O-CG 3.25Å; A103-R107 PolarHBondContact O-N 3.4Å; R104-R107 PolarHBondContact O-N 2.95Å; E105-R107 VanDerWaalsContact C-N 3.29Å; E105-R107 PolarHBondContact O-N 3.4Å; R107-A110 PolarHBondContact O-N 2.86Å; R107-Q111 WeakPolarHBondContact O-CG 3.32Å; R107-Q111 PolarHBondContact O-N 2.74Å
108A94.8Very high94Very high53 Ų53105.1 Ų105.144%0.43852%0.515SS..Hα-helixtrans-65.7-41.7177.300000111.5R104 E105 Q111 S112R104-A108 PolarHBondContact O-N 3.11Å; E105-A108 PolarHBondContact O-N 3.48Å; E105-A108 VanDerWaalsContact O-N 3.09Å; A108-Q111 PolarHBondContact O-N 2.84Å; A108-S112 WeakPolarHBondContact O-CB 3.4Å; A108-S112 PolarHBondContact O-N 2.54Å
109E93.8Very high94Very high102 Ų102100.2 Ų100.248%0.47750%0.502SS..Hα-helixtrans-61.1-45.2173.5-74.5179.3163.800111.7E105 Q111 S112 Q113E105-E109 WeakPolarHBondContact O-CG 3.43Å; E105-E109 PolarHBondContact O-N 2.88Å; E109-Q111 PolarHBondContact O-N 3.45Å; E109-S112 PolarHBondContact O-N 3.5Å; E109-Q113 WeakPolarHBondContact O-CB 3.28Å; E109-Q113 VanDerWaalsContact O-CG 3.29Å; E109-Q113 WeakPolarHBondContact O-CG 3.39Å; E109-Q113 PolarHBondContact O-N 3.11Å
110A93.6Very high94.1Very high50 Ų50103.1 Ų103.141%0.41351%0.506SS..Hα-helixtrans-61.7-43.6177.400000112R106 R107 Q113 E114R106-A110 WeakPolarHBondContact O-CB 3.35Å; R106-A110 PolarHBondContact O-N 2.8Å; R107-A110 PolarHBondContact O-N 2.86Å; A110-Q113 PolarHBondContact O-N 3.32Å; A110-E114 WeakPolarHBondContact O-CB 3.41Å; A110-E114 PolarHBondContact O-N 3.38Å
111Q91.2Very high94.1Very high127 Ų127103.5 Ų103.559%0.59351%0.511SS*.Hα-helixtrans-62.4-45.3175.4-74.9178.3-28.700112R107 A108 E109 Q113 E114 E115R107-Q111 WeakPolarHBondContact O-CG 3.32Å; R107-Q111 PolarHBondContact O-N 2.74Å; A108-Q111 PolarHBondContact O-N 2.84Å; E109-Q111 PolarHBondContact O-N 3.45Å; Q111-Q113 VanDerWaalsContact C-N 3.35Å; Q111-Q113 PolarHBondContact O-N 2.91Å; Q111-E114 PolarHBondContact O-N 3.18Å; Q111-E115 WeakPolarHBondContact O-CG 3.42Å; Q111-E115 PolarHBondContact O-N 2.95Å
112S92.9Very high94.2Very high64 Ų64103.1 Ų103.145%0.44851%0.509SS..Hα-helixtrans-60.9-43.3176.1175.50000111.9A108 E109 E114 E115 V116A108-S112 WeakPolarHBondContact O-CB 3.4Å; A108-S112 PolarHBondContact O-N 2.54Å; E109-S112 PolarHBondContact O-N 3.5Å; S112-E114 PolarHBondContact O-N 2.95Å; S112-E115 PolarHBondContact O-N 2.77Å; S112-V116 VanDerWaalsContact O-CG2 3.3Å; S112-V116 WeakPolarHBondContact O-CG2 3.3Å; S112-V116 PolarHBondContact O-N 3.48Å
113Q90.2Very high94.1Very high126 Ų126105.7 Ų105.759%0.58952%0.521SS*.Hα-helixtrans-62.7-41.7175.8-75177.9300112.1E109 A110 Q111 V116 Q117E109-Q113 WeakPolarHBondContact O-CB 3.28Å; E109-Q113 VanDerWaalsContact O-CG 3.29Å; E109-Q113 WeakPolarHBondContact O-CG 3.39Å; E109-Q113 PolarHBondContact O-N 3.11Å; A110-Q113 PolarHBondContact O-N 3.32Å; Q111-Q113 VanDerWaalsContact C-N 3.35Å; Q111-Q113 PolarHBondContact O-N 2.91Å; Q113-V116 PolarHBondContact O-N 2.92Å; Q113-Q117 WeakPolarHBondContact O-CG 3.12Å; Q113-Q117 PolarHBondContact O-N 2.86Å
114E92.5Very high94.1Very high124 Ų124109.6 Ų109.658%0.57953%0.534SS*.Hα-helixtrans-63.3-44.8176-171.1173.8-172.500111.2A110 Q111 S112 V116 Q117 I118A110-E114 WeakPolarHBondContact O-CB 3.41Å; A110-E114 PolarHBondContact O-N 3.38Å; Q111-E114 PolarHBondContact O-N 3.18Å; S112-E114 PolarHBondContact O-N 2.95Å; E114-V116 PolarHBondContact O-N 2.76Å; E114-Q117 PolarHBondContact O-N 3.25Å; E114-I118 HydrophobicContact CG-CD1 4.05Å; E114-I118 VanDerWaalsContact O-CG1 3.27Å; E114-I118 WeakPolarHBondContact O-CG1 3.27Å; E114-I118 PolarHBondContact O-N 3.21Å
115E92.4Very high94Very high138 Ų138106.6 Ų106.665%0.64553%0.527SS*.Hα-helixtrans-59.5-43.8174.6-75.6179.1-179.800112.3Q111 S112 I118 A119Q111-E115 WeakPolarHBondContact O-CG 3.42Å; Q111-E115 PolarHBondContact O-N 2.95Å; S112-E115 PolarHBondContact O-N 2.77Å; E115-I118 PolarHBondContact O-N 3.39Å; E115-A119 WeakPolarHBondContact O-CB 3.28Å; E115-A119 PolarHBondContact O-N 2.96Å
116V94.6Very high94Very high94 Ų94105.4 Ų105.457%0.5752%0.523SS*.Hα-helixtrans-64-41.1176.6170.30000111.3S112 Q113 E114 A119 R120S112-V116 VanDerWaalsContact O-CG2 3.3Å; S112-V116 WeakPolarHBondContact O-CG2 3.3Å; S112-V116 PolarHBondContact O-N 3.48Å; Q113-V116 PolarHBondContact O-N 2.92Å; E114-V116 PolarHBondContact O-N 2.76Å; V116-A119 PolarHBondContact O-N 2.82Å; V116-R120 WeakPolarHBondContact O-CB 3.37Å; V116-R120 PolarHBondContact O-N 2.96Å
117Q94.1Very high93.9Very high137 Ų137101 Ų10164%0.6452%0.518SS*.Hα-helixtrans-64-45.8175.7-75.1-166.91.900111.4Q113 E114 A119 R120 T121Q113-Q117 WeakPolarHBondContact O-CG 3.12Å; Q113-Q117 PolarHBondContact O-N 2.86Å; E114-Q117 PolarHBondContact O-N 3.25Å; Q117-A119 PolarHBondContact O-N 2.9Å; Q117-R120 PolarHBondContact O-N 3.09Å; Q117-T121 WeakPolarHBondContact O-CG2 3.42Å; Q117-T121 PolarHBondContact O-N 2.98Å; Q117-T121 PolarHBondContact O-OG1 2.61Å
118I95.4Very high94Very high84 Ų84100.2 Ų100.243%0.43152%0.516SS..Hα-helixtrans-58.8-49.1175.9-68.7165.2000110.1E114 E115 R120 T121 L122E114-I118 HydrophobicContact CG-CD1 4.05Å; E114-I118 VanDerWaalsContact O-CG1 3.27Å; E114-I118 WeakPolarHBondContact O-CG1 3.27Å; E114-I118 PolarHBondContact O-N 3.21Å; E115-I118 PolarHBondContact O-N 3.39Å; I118-R120 VanDerWaalsContact C-N 3.32Å; I118-R120 PolarHBondContact O-N 2.99Å; I118-T121 WeakPolarHBondContact CA-OG1 3.47Å; I118-T121 PolarHBondContact O-N 3.48Å; I118-T121 PolarHBondContact O-OG1 3.41Å; I118-L122 HydrophobicContact CG2-CD1 3.78Å; I118-L122 HydrophobicContact CG2-CG 4.3Å; I118-L122 WeakPolarHBondContact O-CG 3.35Å; I118-L122 PolarHBondContact O-N 3.4Å
119A94.5Very high93.9Very high45 Ų45102.5 Ų102.537%0.37252%0.52SS..Hα-helixtrans-56.5-46.4178.600000111.8E115 V116 Q117 T121 L122 E123E115-A119 WeakPolarHBondContact O-CB 3.28Å; E115-A119 PolarHBondContact O-N 2.96Å; V116-A119 PolarHBondContact O-N 2.82Å; Q117-A119 PolarHBondContact O-N 2.9Å; A119-T121 PolarHBondContact O-N 3.03Å; A119-L122 PolarHBondContact O-N 3.05Å; A119-E123 WeakPolarHBondContact O-CG 3.29Å; A119-E123 PolarHBondContact O-N 3.24Å
120R95.6Very high93.7Very high162 Ų162106.7 Ų106.761%0.61153%0.531SS*.Hα-helixtrans-60.2-46.6176.2-177.5-179.3175.4161.94.7112.4V116 Q117 I118 L122 E123 E124V116-R120 WeakPolarHBondContact O-CB 3.37Å; V116-R120 PolarHBondContact O-N 2.96Å; Q117-R120 PolarHBondContact O-N 3.09Å; I118-R120 VanDerWaalsContact C-N 3.32Å; I118-R120 PolarHBondContact O-N 2.99Å; R120-L122 VanDerWaalsContact C-N 3.29Å; R120-L122 PolarHBondContact O-N 3.4Å; R120-E123 PolarHBondContact O-N 3.34Å; R120-E124 IonicContact CZ-OE1 3.26Å; R120-E124 IonicContact NE-OE1 3.52Å; R120-E124 PolarHBondContact NE-OE1 2.92Å; R120-E124 VanDerWaalsContact NE-OE1 3.09Å; R120-E124 IonicContact NH2-OE1 2.92Å; R120-E124 WeakPolarHBondContact O-CG 3.36Å; R120-E124 PolarHBondContact O-N 3.25Å
121T96.4Very high93.7Very high82 Ų82110.5 Ų110.550%0.50354%0.54SS..Hα-helixtrans-63-37.4178.457.70000112.2Q117 I118 A119 E125Q117-T121 WeakPolarHBondContact O-CG2 3.42Å; Q117-T121 PolarHBondContact O-N 2.98Å; Q117-T121 PolarHBondContact O-OG1 2.61Å; I118-T121 WeakPolarHBondContact CA-OG1 3.47Å; I118-T121 PolarHBondContact O-N 3.48Å; I118-T121 PolarHBondContact O-OG1 3.41Å; A119-T121 PolarHBondContact O-N 3.03Å; T121-E125 PolarHBondContact O-N 2.85Å; T121-E125 VanDerWaalsContact O-N 3.09Å
122L95.6Very high93.6Very high100 Ų100108.2 Ų108.252%0.52453%0.53SS..Hα-helixtrans-68.2-41175.7-70.9170.9000111.8I118 A119 R120 E125 I126I118-L122 HydrophobicContact CG2-CD1 3.78Å; I118-L122 HydrophobicContact CG2-CG 4.3Å; I118-L122 WeakPolarHBondContact O-CG 3.35Å; I118-L122 PolarHBondContact O-N 3.4Å; A119-L122 PolarHBondContact O-N 3.05Å; R120-L122 VanDerWaalsContact C-N 3.29Å; R120-L122 PolarHBondContact O-N 3.4Å; L122-E125 PolarHBondContact O-N 3.02Å; L122-I126 WeakPolarHBondContact O-CB 3.36Å; L122-I126 VanDerWaalsContact O-CG1 3.24Å; L122-I126 WeakPolarHBondContact O-CG1 3.5Å; L122-I126 PolarHBondContact O-N 3.29Å
123E93.4Very high93.3Very high135 Ų135106.8 Ų106.863%0.63153%0.525SS*.Hα-helixtrans-61.5-43.9175.8-78.1179.9175.200111.9A119 R120 E125 I126 A127A119-E123 WeakPolarHBondContact O-CG 3.29Å; A119-E123 PolarHBondContact O-N 3.24Å; R120-E123 PolarHBondContact O-N 3.34Å; E123-E125 VanDerWaalsContact C-N 3.35Å; E123-E125 PolarHBondContact O-N 2.96Å; E123-I126 PolarHBondContact O-N 3.31Å; E123-A127 WeakPolarHBondContact O-CB 3.1Å; E123-A127 PolarHBondContact O-N 2.87Å
124E95.4Very high93.3Very high110 Ų110103.7 Ų103.751%0.51452%0.517SS..Hα-helixtrans-60.6-43.6175.7-72.5172.4-171.500111.2R120 A127 R128R120-E124 IonicContact CZ-OE1 3.26Å; R120-E124 IonicContact NE-OE1 3.52Å; R120-E124 PolarHBondContact NE-OE1 2.92Å; R120-E124 VanDerWaalsContact NE-OE1 3.09Å; R120-E124 IonicContact NH2-OE1 2.92Å; R120-E124 WeakPolarHBondContact O-CG 3.36Å; R120-E124 PolarHBondContact O-N 3.25Å; E124-A127 PolarHBondContact O-N 2.8Å; E124-R128 PolarHBondContact O-N 3.31Å
125E93.4Very high93.3Very high96 Ų96105.1 Ų105.145%0.44952%0.518SS..Hα-helixtrans-67.8-40.8177.6-166.567.6-175.800112.3T121 L122 E123 A127 R128 L129T121-E125 PolarHBondContact O-N 2.85Å; T121-E125 VanDerWaalsContact O-N 3.09Å; L122-E125 PolarHBondContact O-N 3.02Å; E123-E125 VanDerWaalsContact C-N 3.35Å; E123-E125 PolarHBondContact O-N 2.96Å; E125-A127 VanDerWaalsContact C-N 3.33Å; E125-A127 PolarHBondContact O-N 2.96Å; E125-R128 PolarHBondContact O-N 2.85Å; E125-L129 HydrophobicContact CG-CD1 4.49Å; E125-L129 WeakPolarHBondContact O-CG 3.32Å; E125-L129 PolarHBondContact O-N 3.34Å
126I93.6Very high93Very high82 Ų82104.4 Ų104.442%0.42151%0.514SS..Hα-helixtrans-62.2-43174.8-71.1165.8000110.5L122 E123 R128 L129 R130L122-I126 WeakPolarHBondContact O-CB 3.36Å; L122-I126 VanDerWaalsContact O-CG1 3.24Å; L122-I126 WeakPolarHBondContact O-CG1 3.5Å; L122-I126 PolarHBondContact O-N 3.29Å; E123-I126 PolarHBondContact O-N 3.31Å; I126-R128 VanDerWaalsContact C-N 3.33Å; I126-L129 PolarHBondContact O-N 2.9Å; I126-R130 HydrophobicContact CG2-CG 4.37Å; I126-R130 WeakPolarHBondContact O-CB 3.43Å; I126-R130 VanDerWaalsContact O-CG 3.26Å; I126-R130 WeakPolarHBondContact O-CG 3.31Å; I126-R130 PolarHBondContact O-N 2.93Å
127A95Very high92.5Very high56 Ų56104.2 Ų104.246%0.46351%0.51SS..Hα-helixtrans-61-45.7178.200000110.8E123 E124 E125 R130 E131E123-A127 WeakPolarHBondContact O-CB 3.1Å; E123-A127 PolarHBondContact O-N 2.87Å; E124-A127 PolarHBondContact O-N 2.8Å; E125-A127 VanDerWaalsContact C-N 3.33Å; E125-A127 PolarHBondContact O-N 2.96Å; A127-R130 WeakPolarHBondContact O-CB 3.4Å; A127-R130 PolarHBondContact O-N 3.48Å; A127-E131 PolarHBondContact O-N 3.47Å
128R96.1Very high92.2Very high138 Ų138103.4 Ų103.452%0.52151%0.506SS..Hα-helixtrans-59.3-49.4175.9-176.1-174.1168.7-171.6-1.2112.4E124 E125 I126 R130 E131 E132E124-R128 PolarHBondContact O-N 3.31Å; E125-R128 PolarHBondContact O-N 2.85Å; I126-R128 VanDerWaalsContact C-N 3.33Å; R128-R130 VanDerWaalsContact C-N 3.28Å; R128-R130 PolarHBondContact O-N 3.26Å; R128-E131 PolarHBondContact O-N 2.89Å; R128-E132 IonicContact CZ-OE1 3.67Å; R128-E132 IonicContact NE-OE1 2.67Å; R128-E132 PolarHBondContact NE-OE1 3.32Å; R128-E132 IonicContact NH2-OE1 3.48Å; R128-E132 PolarHBondContact NH2-OE1 3.16Å; R128-E132 WeakPolarHBondContact O-CG 3.17Å; R128-E132 PolarHBondContact O-N 3.37Å
129L93.2Very high91.7Very high100 Ų100104.9 Ų104.952%0.52451%0.511SS..Hα-helixtrans-62.1-36.3178.5-71.8172.9000112.2E125 I126 G133E125-L129 HydrophobicContact CG-CD1 4.49Å; E125-L129 WeakPolarHBondContact O-CG 3.32Å; E125-L129 PolarHBondContact O-N 3.34Å; I126-L129 PolarHBondContact O-N 2.9Å; L129-G133 PolarHBondContact O-N 2.91Å
130R89.4Confident91Very high191 Ų191108.5 Ų108.572%0.72152%0.52SS*.Hα-helixtrans-65.3-42.9174.7-76.7176.1179.7-173.63.2111.9I126 A127 R128 G133 S134I126-R130 HydrophobicContact CG2-CG 4.37Å; I126-R130 WeakPolarHBondContact O-CB 3.43Å; I126-R130 VanDerWaalsContact O-CG 3.26Å; I126-R130 WeakPolarHBondContact O-CG 3.31Å; I126-R130 PolarHBondContact O-N 2.93Å; A127-R130 WeakPolarHBondContact O-CB 3.4Å; A127-R130 PolarHBondContact O-N 3.48Å; R128-R130 VanDerWaalsContact C-N 3.28Å; R128-R130 PolarHBondContact O-N 3.26Å; R130-G133 PolarHBondContact O-N 3.27Å; R130-S134 WeakPolarHBondContact O-CB 3.47Å; R130-S134 PolarHBondContact O-N 2.88Å
131E92.6Very high89.7Confident129 Ų129104.4 Ų104.460%0.60351%0.508SS*.Hα-helixtrans-65.7-45.1177.7-170.8178.4-178.900111.4A127 R128 G133 S134 R135A127-E131 PolarHBondContact O-N 3.47Å; R128-E131 PolarHBondContact O-N 2.89Å; E131-G133 VanDerWaalsContact C-N 3.34Å; E131-G133 PolarHBondContact O-N 3.01Å; E131-S134 PolarHBondContact O-N 2.94Å; E131-R135 PolarHBondContact O-N 3.44Å
132E90.3Very high89.4Confident80 Ų80109.2 Ų109.237%0.37452%0.517SS..Hα-helixtrans-59.4-43.9175.1-72.6179.5-172.300111.3R128 R135 Q136R128-E132 IonicContact CZ-OE1 3.67Å; R128-E132 IonicContact NE-OE1 2.67Å; R128-E132 PolarHBondContact NE-OE1 3.32Å; R128-E132 IonicContact NH2-OE1 3.48Å; R128-E132 PolarHBondContact NH2-OE1 3.16Å; R128-E132 WeakPolarHBondContact O-CG 3.17Å; R128-E132 PolarHBondContact O-N 3.37Å; E132-R135 PolarHBondContact O-N 2.85Å; E132-Q136 WeakPolarHBondContact O-CG 3.43Å; E132-Q136 PolarHBondContact O-N 3.32Å; E132-Q136 VanDerWaalsContact O-N 3.17Å
133G86.3Confident89.1Confident34 Ų34109.7 Ų109.735%0.35152%0.519SS..Hα-helixtrans-64.6-39.1174.700000113.6L129 R130 E131 Q136 L137L129-G133 PolarHBondContact O-N 2.91Å; R130-G133 PolarHBondContact O-N 3.27Å; E131-G133 VanDerWaalsContact C-N 3.34Å; E131-G133 PolarHBondContact O-N 3.01Å; G133-Q136 PolarHBondContact O-N 3.39Å; G133-L137 PolarHBondContact O-N 3.38Å; G133-L137 VanDerWaalsContact O-N 3.14Å
134S89.9Confident88.5Confident60 Ų60107.3 Ų107.342%0.4251%0.51SS..Hα-helixtrans-63.1-43.6176.3-166.80000111.4R130 E131 Q136 L137 E138R130-S134 WeakPolarHBondContact O-CB 3.47Å; R130-S134 PolarHBondContact O-N 2.88Å; E131-S134 PolarHBondContact O-N 2.94Å; S134-Q136 PolarHBondContact O-N 3.01Å; S134-L137 PolarHBondContact O-N 2.83Å; S134-E138 WeakPolarHBondContact O-CG 3.43Å; S134-E138 PolarHBondContact O-N 3.01Å
135R92.9Very high87.5Confident155 Ų155109.8 Ų109.859%0.58552%0.515SS*.Hα-helixtrans-62.1-43.7178.5-176.4178-78.4172.6-1.6111.7E131 E132 L137 E138 E139E131-R135 PolarHBondContact O-N 3.44Å; E132-R135 PolarHBondContact O-N 2.85Å; R135-L137 PolarHBondContact O-N 3.05Å; R135-E138 PolarHBondContact O-N 3.01Å; R135-E139 WeakPolarHBondContact O-CB 3.41Å; R135-E139 WeakPolarHBondContact O-CG 3.25Å; R135-E139 PolarHBondContact O-N 3.33Å
136Q86.2Confident87Confident123 Ų123109.1 Ų109.158%0.57551%0.511SS*.Hα-helixtrans-61-45.6177.5-71.8173.68.300111.8E132 G133 S134 E138 E139 E140E132-Q136 WeakPolarHBondContact O-CG 3.43Å; E132-Q136 PolarHBondContact O-N 3.32Å; E132-Q136 VanDerWaalsContact O-N 3.17Å; G133-Q136 PolarHBondContact O-N 3.39Å; S134-Q136 PolarHBondContact O-N 3.01Å; Q136-E138 PolarHBondContact O-N 3.48Å; Q136-E139 PolarHBondContact O-N 3.33Å; Q136-E140 WeakPolarHBondContact O-CG 3.43Å; Q136-E140 PolarHBondContact O-N 3.44Å
137L83.9Confident86.3Confident90 Ų90111.7 Ų111.747%0.47152%0.521SS..Hα-helixtrans-63.9-41.1178.3-175.167.7000111.9G133 S134 R135 E140 Q141G133-L137 PolarHBondContact O-N 3.38Å; G133-L137 VanDerWaalsContact O-N 3.14Å; S134-L137 PolarHBondContact O-N 2.83Å; R135-L137 PolarHBondContact O-N 3.05Å; L137-E140 PolarHBondContact O-N 2.78Å; L137-Q141 WeakPolarHBondContact O-CB 3.12Å; L137-Q141 VanDerWaalsContact O-CG 3.27Å; L137-Q141 WeakPolarHBondContact O-CG 3.43Å; L137-Q141 PolarHBondContact O-N 3.37Å
138E86.8Confident85.1Confident120 Ų120113.7 Ų113.756%0.56152%0.523SS*.Hα-helixtrans-62.2-42.8175.5-77.5177.7-16900112.1S134 R135 Q136 Q141 R142S134-E138 WeakPolarHBondContact O-CG 3.43Å; S134-E138 PolarHBondContact O-N 3.01Å; R135-E138 PolarHBondContact O-N 3.01Å; Q136-E138 PolarHBondContact O-N 3.48Å; E138-Q141 PolarHBondContact O-N 2.86Å; E138-R142 WeakPolarHBondContact O-CB 3.43Å; E138-R142 PolarHBondContact O-N 3.48Å
139E85.6Confident84.2Confident115 Ų115111.3 Ų111.354%0.53752%0.518SS..Hα-helixtrans-62.1-47.2175.7-74.9176.6-175.300111.5R135 Q136 R142 L143R135-E139 WeakPolarHBondContact O-CB 3.41Å; R135-E139 WeakPolarHBondContact O-CG 3.25Å; R135-E139 PolarHBondContact O-N 3.33Å; Q136-E139 PolarHBondContact O-N 3.33Å; E139-R142 WeakPolarHBondContact O-CB 3.33Å; E139-R142 PolarHBondContact O-N 2.84Å; E139-L143 WeakPolarHBondContact O-CG 3.22Å; E139-L143 PolarHBondContact O-N 3.45Å
140E79.6Confident83.4Confident120 Ų120113.7 Ų113.756%0.56152%0.52SS*.Hα-helixtrans-59.8-48.5175.3-76.2-172.1156.600111.8Q136 L137 R142 L143 I144Q136-E140 WeakPolarHBondContact O-CG 3.43Å; Q136-E140 PolarHBondContact O-N 3.44Å; L137-E140 PolarHBondContact O-N 2.78Å; E140-R142 PolarHBondContact O-N 3.5Å; E140-L143 PolarHBondContact O-N 2.84Å; E140-I144 VanDerWaalsContact O-CG1 3.32Å; E140-I144 WeakPolarHBondContact O-CG1 3.15Å; E140-I144 PolarHBondContact O-N 3.36Å
141Q68.3Low82.4Confident76 Ų76110 Ų11036%0.35551%0.511SS..Hα-helixtrans-60.2-34.6177.4-76.5-175.79.400112.5L137 E138 R145L137-Q141 WeakPolarHBondContact O-CB 3.12Å; L137-Q141 VanDerWaalsContact O-CG 3.27Å; L137-Q141 WeakPolarHBondContact O-CG 3.43Å; L137-Q141 PolarHBondContact O-N 3.37Å; E138-Q141 PolarHBondContact O-N 2.86Å; Q141-R145 WeakPolarHBondContact O-CB 3.3Å; Q141-R145 VanDerWaalsContact O-CG 3.3Å; Q141-R145 WeakPolarHBondContact O-CG 3.29Å; Q141-R145 PolarHBondContact O-N 2.96Å; Q141-R145 PolarHBondContact O-NE 2.77Å; Q141-R145 VanDerWaalsContact OE1-NH2 3.09Å
142R89.8Confident81.2Confident184 Ų184111.5 Ų111.569%0.69451%0.511SS*.Hα-helixtrans-67.8-46.5177.5-175.6-178.7178-151.6-2110.9E138 E139 E140 R145 E146E138-R142 WeakPolarHBondContact O-CB 3.43Å; E138-R142 PolarHBondContact O-N 3.48Å; E139-R142 WeakPolarHBondContact O-CB 3.33Å; E139-R142 PolarHBondContact O-N 2.84Å; E140-R142 PolarHBondContact O-N 3.5Å; R142-R145 PolarHBondContact O-N 3.45Å; R142-E146 PolarHBondContact O-N 3.39Å
143L88.9Confident80.5Confident110 Ų110112.8 Ų112.858%0.57652%0.517SS*.Hα-helixtrans-61.4-44.9177.1-70171.8000111.5E139 E140 R145 E146 Q147E139-L143 WeakPolarHBondContact O-CG 3.22Å; E139-L143 PolarHBondContact O-N 3.45Å; E140-L143 PolarHBondContact O-N 2.84Å; L143-R145 VanDerWaalsContact C-N 3.35Å; L143-R145 PolarHBondContact O-N 2.92Å; L143-E146 PolarHBondContact O-N 3.18Å; L143-Q147 WeakPolarHBondContact O-CB 3.22Å; L143-Q147 PolarHBondContact O-N 3.37Å
144I81.3Confident79.7Confident85 Ų85114.5 Ų114.544%0.43653%0.528SS..Hα-helixtrans-59-46.8176.1-68.4165.8000110.7E140 E146 Q147 I148E140-I144 VanDerWaalsContact O-CG1 3.32Å; E140-I144 WeakPolarHBondContact O-CG1 3.15Å; E140-I144 PolarHBondContact O-N 3.36Å; I144-E146 VanDerWaalsContact C-N 3.32Å; I144-E146 PolarHBondContact O-N 2.88Å; I144-Q147 WeakPolarHBondContact O-CB 3.43Å; I144-Q147 PolarHBondContact O-N 3.24Å; I144-I148 HydrophobicContact CG2-CD1 3.91Å; I144-I148 WeakPolarHBondContact O-CG1 3.3Å; I144-I148 PolarHBondContact O-N 2.95Å
145R73.7Confident78.3Confident162 Ų162118.3 Ų118.361%0.61154%0.539SS*.Hα-helixtrans-59.6-42.5176.8-80.6-176.6-112.1-163.8-5112.2Q141 R142 L143 I148 Q149Q141-R145 WeakPolarHBondContact O-CB 3.3Å; Q141-R145 VanDerWaalsContact O-CG 3.3Å; Q141-R145 WeakPolarHBondContact O-CG 3.29Å; Q141-R145 PolarHBondContact O-N 2.96Å; Q141-R145 PolarHBondContact O-NE 2.77Å; Q141-R145 VanDerWaalsContact OE1-NH2 3.09Å; R142-R145 PolarHBondContact O-N 3.45Å; L143-R145 VanDerWaalsContact C-N 3.35Å; L143-R145 PolarHBondContact O-N 2.92Å; R145-I148 PolarHBondContact O-N 3.07Å; R145-Q149 WeakPolarHBondContact O-CB 3.2Å; R145-Q149 PolarHBondContact O-N 3.06Å
146E84.5Confident76.5Confident82 Ų82117.2 Ų117.238%0.38354%0.541SS..Hα-helixtrans-65.5-39.8177.9-167179.4171.100111.9R142 L143 I144 Q149 R150R142-E146 PolarHBondContact O-N 3.39Å; L143-E146 PolarHBondContact O-N 3.18Å; I144-E146 VanDerWaalsContact C-N 3.32Å; I144-E146 PolarHBondContact O-N 2.88Å; E146-Q149 PolarHBondContact O-N 3.47Å; E146-R150 PolarHBondContact O-N 3.34Å; E146-R150 IonicContact OE1-CZ 2.61Å; E146-R150 IonicContact OE1-NE 3.56Å; E146-R150 IonicContact OE1-NH2 3.87Å; E146-R150 PolarHBondContact OE1-NH2 2.88Å
147Q77.9Confident74.5Confident135 Ų135119.1 Ų119.163%0.63155%0.55SS*.Hα-helixtrans-60.4-48.4175.3-161104.9-9.300111.4L143 I144 Q149 R150 E151L143-Q147 WeakPolarHBondContact O-CB 3.22Å; L143-Q147 PolarHBondContact O-N 3.37Å; I144-Q147 WeakPolarHBondContact O-CB 3.43Å; I144-Q147 PolarHBondContact O-N 3.24Å; Q147-Q149 VanDerWaalsContact C-N 3.31Å; Q147-Q149 PolarHBondContact O-N 3.46Å; Q147-R150 PolarHBondContact O-N 3.32Å; Q147-E151 WeakPolarHBondContact O-CB 3.49Å; Q147-E151 PolarHBondContact O-N 3.25Å
148I70.6Confident72.6Confident98 Ų98121.1 Ų121.150%0.50357%0.568SS.*Hα-helixtrans-61.1-42.3177.4-67.8168.6000110.6I144 R145 E151 R152I144-I148 HydrophobicContact CG2-CD1 3.91Å; I144-I148 WeakPolarHBondContact O-CG1 3.3Å; I144-I148 PolarHBondContact O-N 2.95Å; R145-I148 PolarHBondContact O-N 3.07Å; I148-E151 PolarHBondContact O-N 3.12Å; I148-R152 VanDerWaalsContact O-CB 3.28Å; I148-R152 WeakPolarHBondContact O-CB 3.24Å; I148-R152 PolarHBondContact O-N 3.39Å
149Q76.1Confident70.3Confident89 Ų89119 Ų11942%0.41658%0.579SS.*Hα-helixtrans-63.5-46.9179.6-1756227.200111.4R145 E146 Q147 E151 R152 E153R145-Q149 WeakPolarHBondContact O-CB 3.2Å; R145-Q149 PolarHBondContact O-N 3.06Å; E146-Q149 PolarHBondContact O-N 3.47Å; Q147-Q149 VanDerWaalsContact C-N 3.31Å; Q147-Q149 PolarHBondContact O-N 3.46Å; Q149-E151 PolarHBondContact O-N 2.63Å; Q149-R152 PolarHBondContact O-N 2.98Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.43Å; Q149-E153 PolarHBondContact NE2-OE1 3.37Å; Q149-E153 WeakPolarHBondContact O-CG 3.33Å; Q149-E153 PolarHBondContact O-N 3.12Å
150R76.8Confident67.7Low149 Ų149120 Ų12056%0.56259%0.587SS**Hα-helixtrans-60.8-43.4176.1-76.4-177.9-165.2168.23.5112.5E146 Q147 R152 E153 A154E146-R150 PolarHBondContact O-N 3.34Å; E146-R150 IonicContact OE1-CZ 2.61Å; E146-R150 IonicContact OE1-NE 3.56Å; E146-R150 IonicContact OE1-NH2 3.87Å; E146-R150 PolarHBondContact OE1-NH2 2.88Å; Q147-R150 PolarHBondContact O-N 3.32Å; R150-R152 VanDerWaalsContact C-N 3.32Å; R150-R152 PolarHBondContact O-N 2.87Å; R150-E153 PolarHBondContact O-N 2.82Å; R150-A154 WeakPolarHBondContact O-CB 3.35Å; R150-A154 PolarHBondContact O-N 3.41Å
151E67.9Low65.7Low114 Ų114124.1 Ų124.153%0.53360%0.599SS.*Hα-helixtrans-62.7-41.8177.6-168.7-175.5169.900111.3Q147 I148 Q149 A154 Q155Q147-E151 WeakPolarHBondContact O-CB 3.49Å; Q147-E151 PolarHBondContact O-N 3.25Å; I148-E151 PolarHBondContact O-N 3.12Å; Q149-E151 PolarHBondContact O-N 2.63Å; E151-A154 PolarHBondContact O-N 2.9Å; E151-Q155 WeakPolarHBondContact O-CG 3.27Å; E151-Q155 PolarHBondContact O-N 3.08Å; E151-Q155 PolarHBondContact OE1-NE2 3.39Å
152R68.6Low63.9Low161 Ų161127 Ų12761%0.60862%0.622SS**Hα-helixtrans-68.3-33.9178.1-164.2-176.8-179.6-176.81.5113I148 Q149 R150 Q156I148-R152 VanDerWaalsContact O-CB 3.28Å; I148-R152 WeakPolarHBondContact O-CB 3.24Å; I148-R152 PolarHBondContact O-N 3.39Å; Q149-R152 PolarHBondContact O-N 2.98Å; R150-R152 VanDerWaalsContact C-N 3.32Å; R150-R152 PolarHBondContact O-N 2.87Å; R152-Q156 WeakPolarHBondContact O-CG 3.32Å; R152-Q156 PolarHBondContact O-N 2.73Å; R152-Q156 PolarHBondContact O-NE2 2.87Å
153E74.6Confident61.8Low107 Ų107127.8 Ų127.850%0.563%0.634SS.*Hα-helixtrans-71.7-40173.6-74.8171.8-172.400111.7Q149 R150 Q155 Q156Q149-E153 WeakPolarHBondContact CG-OE1 3.43Å; Q149-E153 PolarHBondContact NE2-OE1 3.37Å; Q149-E153 WeakPolarHBondContact O-CG 3.33Å; Q149-E153 PolarHBondContact O-N 3.12Å; R150-E153 PolarHBondContact O-N 2.82Å; E153-Q155 VanDerWaalsContact C-N 3.28Å; E153-Q155 PolarHBondContact O-N 2.77Å; E153-Q156 PolarHBondContact O-N 3.33Å
154A68.9Low58.9Low69 Ų69134 Ų13457%0.5765%0.649SS**Hα-helixtrans-62.9-33.9174.500000112.6R150 E151 Q156R150-A154 WeakPolarHBondContact O-CB 3.35Å; R150-A154 PolarHBondContact O-N 3.41Å; E151-A154 PolarHBondContact O-N 2.9Å; A154-Q156 VanDerWaalsContact C-N 3.32Å; A154-Q156 PolarHBondContact O-N 2.92Å
155Q60.4Low56.9Low140 Ų140134 Ų13465%0.65467%0.671SS**THydrogen-bonded Turntrans-77.9-9.1176.8-72.9172.72300114.3E151 E153E151-Q155 WeakPolarHBondContact O-CG 3.27Å; E151-Q155 PolarHBondContact O-N 3.08Å; E151-Q155 PolarHBondContact OE1-NE2 3.39Å; E153-Q155 VanDerWaalsContact C-N 3.28Å; E153-Q155 PolarHBondContact O-N 2.77Å
156Q55.4Low54.8Low133 Ų133129.5 Ų129.562%0.62168%0.675SS**THydrogen-bonded Turntrans-95.54.3-177.8-83.9174.372.500114.9R152 E153 A154R152-Q156 WeakPolarHBondContact O-CG 3.32Å; R152-Q156 PolarHBondContact O-N 2.73Å; R152-Q156 PolarHBondContact O-NE2 2.87Å; E153-Q156 PolarHBondContact O-N 3.33Å; A154-Q156 VanDerWaalsContact C-N 3.32Å; A154-Q156 PolarHBondContact O-N 2.92Å
157Q44.3Very low52.2Low163 Ų163133.6 Ų133.676%0.76269%0.694SS**  trans-76.5127.9172.9-70-172.320.700111.8
158P45.4Very low49.8Very low132 Ų132139 Ų13986%0.85771%0.709SS**  trans-87.6122177.233.1-28.6000110.7
159G37.2Very low47.9Very low76 Ų76143.4 Ų143.478%0.78472%0.721SS**  trans163.8100.2165.800000118.4
160N31.9Very low46Very low134 Ų134144.5 Ų144.572%0.71774%0.738SS**  trans77.7111.1150.2-102.94.1000122.2T162N160-T162 PolarHBondContact O-N 3.33Å
161Y37.9Very low44.3Very low208 Ų208145.1 Ų145.182%0.81675%0.747SS**  trans-48118.5156.70.8-90.9000112.1
162T30.5Very low43Very low136 Ų136143.8 Ų143.883%0.83475%0.75SS**  trans-142.1118.3144.224.80000109.4N160 R164N160-T162 PolarHBondContact O-N 3.33Å; T162-R164 PolarHBondContact O-N 3.27Å
163Q44.4Very low42.2Very low201 Ų201143.4 Ų143.494%0.93976%0.76SS**  trans-62.1111.8170.3-172.3161.92.100108.8
164R29.1Very low41.5Very low239 Ų239141.2 Ų141.290%0.90275%0.754SS**  trans-135.1111.6162.9-137.3179.6-162.4-155.73.6108T162 G166T162-R164 PolarHBondContact O-N 3.27Å; R164-G166 PolarHBondContact O-N 2.88Å
165G39.2Very low41.6Very low86 Ų86139.9 Ų139.989%0.88774%0.739SS**  trans-53.8123.3175.300000110.2
166G29.1Very low42.6Very low68 Ų68133.3 Ų133.370%0.70171%0.708SS**  trans-147119170.700000105.9R164 R168R164-G166 PolarHBondContact O-N 2.88Å; G166-R168 PolarHBondContact O-N 3.41Å
167E29.3Very low44Very low167 Ų167129.8 Ų129.878%0.7869%0.691SS**  trans-52.6128-166.7-66.8154.2139.900112.6Y169E167-Y169 HydrophobicContact CB-CE2 4.38Å; E167-Y169 PolarHBondContact O-N 3.27Å
168R28.2Very low46.1Very low248 Ų248122.1 Ų122.194%0.93666%0.655SS**  trans-67.893.2171.1-68.8-178.9-174.6-1790.9108.9G166 S170G166-R168 PolarHBondContact O-N 3.41Å; R168-S170 VanDerWaalsContact C-N 3.32Å; R168-S170 PolarHBondContact O-N 3.09Å; R168-S170 VanDerWaalsContact O-N 3.11Å
169Y30.8Very low48.2Very low192 Ų192120.2 Ų120.275%0.75363%0.633SS**  trans-73.895.3155.2-76.7-84.4000107.7E167 Q171E167-Y169 HydrophobicContact CB-CE2 4.38Å; E167-Y169 PolarHBondContact O-N 3.27Å; Y169-Q171 PolarHBondContact O-N 3.49Å
170S35.9Very low50.7Low111 Ų111116.6 Ų116.678%0.77660%0.596SS**  trans-67.883.5160.7-1740000107.8R168 S172R168-S170 VanDerWaalsContact C-N 3.32Å; R168-S170 PolarHBondContact O-N 3.09Å; R168-S170 VanDerWaalsContact O-N 3.11Å; S170-S172 PolarHBondContact O-N 2.94Å
171Q40.5Very low53.5Low163 Ų163116.8 Ų116.876%0.76259%0.59SS**  trans-7784.1165.5-90-179.3-35.100108Y169 N173Y169-Q171 PolarHBondContact O-N 3.49Å; Q171-N173 PolarHBondContact O-N 3.31Å
172S42.1Very low56.1Low85 Ų85107.5 Ų107.559%0.59455%0.554SS**  trans-60.9116.914944.70000106.5S170 V174S170-S172 PolarHBondContact O-N 2.94Å; S172-V174 PolarHBondContact O-N 2.99Å
173N51.3Low58.6Low154 Ų154109.3 Ų109.382%0.82455%0.55SS**  trans-70.138.2175.6-87.2-9.8000112Q171Q171-N173 PolarHBondContact O-N 3.31Å
174V60.4Low60.5Low60 Ų60101.5 Ų101.536%0.36452%0.517SS..  trans-98.3103.6-179.6-175.50000107.9S172 E253S172-V174 PolarHBondContact O-N 2.99Å; V174-E253 HydrophobicContact CG1-CG 3.82Å
175T70.9Confident62.8Low41 Ų4198.3 Ų98.325%0.25251%0.51SS..  trans-69.4126.4167.245.90000108.6K177 L210 E225T175-K177 PolarHBondContact O-N 3.31Å; T175-L210 HydrophobicContact CG2-CD1 3.65Å; T175-E225 VanDerWaalsContact CB-OE1 3.28Å; T175-E225 WeakPolarHBondContact CB-OE1 3.49Å; T175-E225 PolarHBondContact OG1-OE1 3.04Å
176P80.9Confident64.1Low2 Ų2103.3 Ų103.31%0.01351%0.507CS..  trans-64.2131.3-179.128.5-41000111.6E225 F226 V229 A232 W251 E253P176-E225 WeakPolarHBondContact O-CA 3.42Å; P176-F226 VanDerWaalsContact CD-O 3.26Å; P176-F226 WeakPolarHBondContact CD-O 3.34Å; P176-F226 HydrophobicContact CG-CB 3.94Å; P176-F226 PolarHBondContact O-N 2.87Å; P176-V229 HydrophobicContact CB-CG2 4.38Å; P176-V229 HydrophobicContact CG-CG2 4.24Å; P176-A232 HydrophobicContact CB-CB 3.63Å; P176-A232 HydrophobicContact CG-CB 3.74Å; P176-W251 HydrophobicContact CB-CZ3 3.81Å; P176-E253 WeakPolarHBondContact CA-O 3.43Å
177K85.6Confident66Low60 Ų60107.3 Ų107.326%0.26151%0.513SS..EExtended strand (participates in β ladder)trans-116.2131.8177.8-63174.1-163.8147.60110.4T175 V224 E225 L252 E253T175-K177 PolarHBondContact O-N 3.31Å; K177-V224 CarbonylContact C-O 3.46Å; K177-V224 WeakPolarHBondContact CA-O 3.3Å; K177-E225 HydrophobicContact CG-CB 4.18Å; K177-E225 HydrophobicContact CG-CG 4.05Å; K177-L252 HydrophobicContact CB-CB 4.4Å; K177-L252 WeakPolarHBondContact O-CA 3.37Å; K177-L252 WeakPolarHBondContact O-CB 3.49Å; K177-L252 PolarHBondContact O-N 3.06Å; K177-E253 HydrophobicContact CB-CB 4.04Å; K177-E253 HydrophobicContact CD-CB 4.44Å; K177-E253 WeakPolarHBondContact CD-OE2 3.45Å; K177-E253 WeakPolarHBondContact CE-OE2 3.47Å; K177-E253 HydrophobicContact CG-CB 4.46Å; K177-E253 PolarHBondContact N-O 2.92Å; K177-E253 IonicContact NZ-OE2 3.86Å; K177-E253 PolarHBondContact NZ-OE2 3.35Å; K177-E253 PolarHBondContact O-N 2.97Å; K177-E253 VanDerWaalsContact O-N 3.08Å
178L87Confident68Low1 Ų1101.5 Ų101.51%0.00549%0.487CS..EExtended strand (participates in β ladder)trans-115.8139.5179.7-59.2-179000110V223 V224 F226 A232 A235 V236 I249 W251L178-V223 CarbonylContact O-C 3.54Å; L178-V223 WeakPolarHBondContact O-CA 3.14Å; L178-V224 PolarHBondContact N-O 3.09Å; L178-V224 PolarHBondContact O-N 2.86Å; L178-F226 HydrophobicContact CD1-CD2 4.08Å; L178-F226 HydrophobicContact CD1-CE2 3.78Å; L178-A232 HydrophobicContact CD1-CB 3.98Å; L178-A232 HydrophobicContact CD2-CB 4.38Å; L178-A232 HydrophobicContact CG-CB 4.22Å; L178-A235 HydrophobicContact CD1-CB 4.25Å; L178-V236 HydrophobicContact CD1-CG2 3.79Å; L178-V236 HydrophobicContact CD2-CG2 3.6Å; L178-V236 HydrophobicContact CG-CG2 4.35Å; L178-I249 HydrophobicContact CB-CG2 3.93Å; L178-I249 HydrophobicContact CD1-CG2 3.8Å; L178-I249 HydrophobicContact CD2-CG2 4.35Å; L178-I249 HydrophobicContact CG-CG2 4.25Å; L178-W251 HydrophobicContact CD2-CD2 3.59Å; L178-W251 HydrophobicContact CD2-CE3 3.42Å; L178-W251 VanDerWaalsContact CD2-CE3 3.42Å; L178-W251 HydrophobicContact CD2-CG 4.12Å; L178-W251 HydrophobicContact CD2-CH2 4.38Å; L178-W251 HydrophobicContact CD2-CZ3 3.86Å
179K89.6Confident70Confident93 Ų9398.4 Ų98.440%0.40448%0.483SS..EExtended strand (participates in β ladder)trans-100.2126.4170.9-174.8177.1-172169.60109.6I249 T250 L252K179-I249 WeakPolarHBondContact O-CA 3.41Å; K179-T250 PolarHBondContact N-O 3.2Å; K179-T250 PolarHBondContact O-N 3.49Å; K179-T250 PolarHBondContact O-OG1 3.1Å; K179-L252 HydrophobicContact CB-CB 4.47Å; K179-L252 HydrophobicContact CB-CD1 4.18Å
180L90.5Very high71.9Confident0 Ų095.7 Ų95.70%048%0.481CS..EExtended strand (participates in β ladder)trans-104.7136.4178.2-53.6176.2000109.2W182 L199 L203 S221 A222 V224 L247 K248 I249L180-W182 HydrophobicContact CB-CE3 4.25Å; L180-W182 HydrophobicContact CB-CZ3 3.81Å; L180-L199 HydrophobicContact CD1-CD1 4.36Å; L180-L199 HydrophobicContact CD1-CD2 3.93Å; L180-L203 HydrophobicContact CD1-CD1 3.73Å; L180-S221 VanDerWaalsContact O-CA 3.29Å; L180-S221 WeakPolarHBondContact O-CA 3.42Å; L180-S221 PolarHBondContact O-OG 3.4Å; L180-A222 HydrophobicContact CB-CB 4.29Å; L180-A222 HydrophobicContact CD1-CB 4.34Å; L180-A222 PolarHBondContact N-O 3.35Å; L180-A222 PolarHBondContact O-N 2.91Å; L180-V224 HydrophobicContact CD1-CB 4.44Å; L180-V224 HydrophobicContact CD1-CG2 3.48Å; L180-V224 VanDerWaalsContact CD1-CG2 3.48Å; L180-V224 HydrophobicContact CG-CG2 4.25Å; L180-L247 HydrophobicContact CD2-CD1 4.03Å; L180-K248 CarbonylContact C-O 3.5Å; L180-K248 WeakPolarHBondContact CA-O 3.39Å; L180-I249 HydrophobicContact CD2-CB 4.07Å; L180-I249 HydrophobicContact CD2-CD1 3.76Å; L180-I249 HydrophobicContact CD2-CG1 3.53Å; L180-I249 HydrophobicContact CD2-CG2 3.82Å
181K89.4Confident74Confident137 Ų13791.5 Ų91.560%0.59645%0.45SS*.EExtended strand (participates in β ladder)trans-139.5131.1176.7-169.2172-176.31670111.2G220 K248K181-G220 WeakPolarHBondContact CA-O 3.26Å; K181-K248 PolarHBondContact N-O 3.39Å; K181-K248 PolarHBondContact O-N 3.45Å
182W92.8Very high75.7Confident13 Ų1384.2 Ų84.25%0.04942%0.419CS..  trans-136.8170177.956.793.8000110.5L180 N191 Y194 L199 V214 G220 A222 L247L180-W182 HydrophobicContact CB-CE3 4.25Å; L180-W182 HydrophobicContact CB-CZ3 3.81Å; W182-N191 PolarHBondContact NE1-O 2.95Å; W182-Y194 HydrophobicContact CB-CD2 4.06Å; W182-Y194 HydrophobicContact CB-CE2 3.81Å; W182-Y194 AromaticContact CD1-CD2 3.38Å; W182-Y194 AromaticContact CD1-CE2 3.95Å; W182-Y194 AromaticContact CD2-CD2 3.68Å; W182-Y194 HydrophobicContact CD2-CD2 3.68Å; W182-Y194 HydrophobicContact CD2-CE2 4.27Å; W182-Y194 HydrophobicContact CD2-CG 4.01Å; W182-Y194 AromaticContact CE2-CD2 3.76Å; W182-Y194 AromaticContact CE2-CG 3.92Å; W182-Y194 HydrophobicContact CE3-CD2 4.45Å; W182-Y194 HydrophobicContact CE3-CG 4.45Å; W182-Y194 AromaticContact CG-CD2 3.46Å; W182-Y194 HydrophobicContact CG-CD2 3.46Å; W182-Y194 VanDerWaalsContact CG-CD2 3.46Å; W182-Y194 AromaticContact CG-CE2 3.75Å; W182-Y194 HydrophobicContact CG-CE2 3.75Å; W182-Y194 HydrophobicContact CG-CG 4.27Å; W182-Y194 HydrophobicContact CZ2-CG 4.3Å; W182-Y194 AromaticContact NE1-CD2 3.53Å; W182-L199 HydrophobicContact CH2-CD1 3.74Å; W182-L199 HydrophobicContact CZ3-CD1 4.06Å; W182-L199 HydrophobicContact CZ3-CD2 4.4Å; W182-V214 HydrophobicContact CH2-CG1 4.4Å; W182-V214 HydrophobicContact CZ2-CG1 4.39Å; W182-G220 PolarHBondContact N-O 3.21Å; W182-A222 HydrophobicContact CH2-CB 3.62Å; W182-A222 HydrophobicContact CZ3-CB 3.79Å; W182-L247 HydrophobicContact CB-CB 4.22Å
183K84.8Confident77.5Confident174 Ų17481.8 Ų81.876%0.75741%0.407SS*.  trans-79.7133.1177.5-67.5-176.1177.6178.10109.4N245K183-N245 PolarHBondContact N-OD1 3Å; K183-N245 PolarHBondContact O-ND2 3.27Å; K183-N245 PolarHBondContact O-OD1 3.43Å
184C83.4Confident79Confident37 Ų3774.5 Ų74.525%0.2537%0.368CS..  trans-136.9132.9173.6-174.50000108.5K219C184-K219 HydrophobicContact CB-CB 4.26Å
185K77.7Confident80.1Confident173 Ų17374.1 Ų74.175%0.75237%0.368SS*.  trans-77.1155.2173-64.1-179.8-179.11770109.6D187 D188K185-D187 VanDerWaalsContact C-N 3.26Å; K185-D187 PolarHBondContact O-N 2.89Å; K185-D188 HydrophobicContact CB-CB 4.16Å; K185-D188 WeakPolarHBondContact O-CB 3.42Å; K185-D188 PolarHBondContact O-N 3.29Å
186K65.8Low80.5Confident190 Ų19077.5 Ų77.583%0.82638%0.381SS*.THydrogen-bonded Turntrans-60.4-36.7-175.7-164.9177.4177.7-174.80112.3
187D68.4Low80.6Confident152 Ų15282.3 Ų82.381%0.81341%0.407SS*.THydrogen-bonded Turntrans-99.315.9-178.7-52.6-51000113.6K185 E189K185-D187 VanDerWaalsContact C-N 3.26Å; K185-D187 PolarHBondContact O-N 2.89Å; D187-E189 PolarHBondContact O-N 2.94Å
188D72.1Confident80.5Confident45 Ų4581.6 Ų81.624%0.24141%0.407CS..  trans-84.8111.5178-169.7-11.2000110.2K185 L190 G192 K219K185-D188 HydrophobicContact CB-CB 4.16Å; K185-D188 WeakPolarHBondContact O-CB 3.42Å; K185-D188 PolarHBondContact O-N 3.29Å; D188-L190 VanDerWaalsContact C-N 3.33Å; D188-L190 PolarHBondContact OD1-N 3.27Å; D188-G192 VanDerWaalsContact OD2-CA 3.29Å; D188-G192 WeakPolarHBondContact OD2-CA 3.34Å; D188-G192 PolarHBondContact OD2-N 2.54Å; D188-K219 PolarHBondContact O-NZ 3.34Å
189E70.6Confident80.4Confident184 Ų18481.5 Ų81.586%0.8641%0.407SS*.THydrogen-bonded Turntrans-73.6-25.5176.3-66.8-171.9166.400112.3D187 N191D187-E189 PolarHBondContact O-N 2.94Å; E189-N191 VanDerWaalsContact C-N 3.25Å; E189-N191 PolarHBondContact O-N 3.37Å
190L70.8Confident80Confident134 Ų13480.6 Ų80.670%0.70241%0.406SS*.THydrogen-bonded Turntrans-88.89.5-178.7-62176.2000112.7D188 G192 G193D188-L190 VanDerWaalsContact C-N 3.33Å; D188-L190 PolarHBondContact OD1-N 3.27Å; L190-G192 PolarHBondContact O-N 3.41Å; L190-G192 VanDerWaalsContact O-N 3.17Å; L190-G193 WeakPolarHBondContact O-CA 3.31Å; L190-G193 PolarHBondContact O-N 3.01Å
191N79.1Confident79.8Confident23 Ų2388.5 Ų88.512%0.12344%0.44CS..G310 helixtrans49.842.6177.4-167.430.3000112.5W182 E189 G193 V214 K219 G220W182-N191 PolarHBondContact NE1-O 2.95Å; E189-N191 VanDerWaalsContact C-N 3.25Å; E189-N191 PolarHBondContact O-N 3.37Å; N191-G193 VanDerWaalsContact C-N 3.29Å; N191-G193 PolarHBondContact O-N 3.48Å; N191-V214 VanDerWaalsContact ND2-CG1 3.27Å; N191-V214 WeakPolarHBondContact ND2-CG1 3.44Å; N191-K219 WeakPolarHBondContact OD1-CA 3.4Å; N191-K219 WeakPolarHBondContact OD1-CB 3.45Å; N191-G220 PolarHBondContact OD1-N 3.34Å
192G77.4Confident79.6Confident11 Ų1183.6 Ų83.611%0.11342%0.42CS..G310 helixtrans72.116.6-177.600000115.1D188 L190 Y194 N245D188-G192 VanDerWaalsContact OD2-CA 3.29Å; D188-G192 WeakPolarHBondContact OD2-CA 3.34Å; D188-G192 PolarHBondContact OD2-N 2.54Å; L190-G192 PolarHBondContact O-N 3.41Å; L190-G192 VanDerWaalsContact O-N 3.17Å; G192-Y194 WeakPolarHBondContact O-CD2 3.3Å; G192-N245 PolarHBondContact O-ND2 3.5Å
193G79.5Confident79.2Confident34 Ų3483 Ų8335%0.35142%0.418SS..G310 helixtrans89.52.8179.900000114.8L190 N191 L242L190-G193 WeakPolarHBondContact O-CA 3.31Å; L190-G193 PolarHBondContact O-N 3.01Å; N191-G193 VanDerWaalsContact C-N 3.29Å; N191-G193 PolarHBondContact O-N 3.48Å; G193-L242 WeakPolarHBondContact O-CD1 3.36Å
194Y82.8Confident79.1Confident1 Ų179.8 Ų79.80%0.00441%0.406CS..  trans-108.396.3-175.9-68.5-78.4000111.5W182 G192 V198 L199 L202 G241 L242 N245 L247W182-Y194 HydrophobicContact CB-CD2 4.06Å; W182-Y194 HydrophobicContact CB-CE2 3.81Å; W182-Y194 AromaticContact CD1-CD2 3.38Å; W182-Y194 AromaticContact CD1-CE2 3.95Å; W182-Y194 AromaticContact CD2-CD2 3.68Å; W182-Y194 HydrophobicContact CD2-CD2 3.68Å; W182-Y194 HydrophobicContact CD2-CE2 4.27Å; W182-Y194 HydrophobicContact CD2-CG 4.01Å; W182-Y194 AromaticContact CE2-CD2 3.76Å; W182-Y194 AromaticContact CE2-CG 3.92Å; W182-Y194 HydrophobicContact CE3-CD2 4.45Å; W182-Y194 HydrophobicContact CE3-CG 4.45Å; W182-Y194 AromaticContact CG-CD2 3.46Å; W182-Y194 HydrophobicContact CG-CD2 3.46Å; W182-Y194 VanDerWaalsContact CG-CD2 3.46Å; W182-Y194 AromaticContact CG-CE2 3.75Å; W182-Y194 HydrophobicContact CG-CE2 3.75Å; W182-Y194 HydrophobicContact CG-CG 4.27Å; W182-Y194 HydrophobicContact CZ2-CG 4.3Å; W182-Y194 AromaticContact NE1-CD2 3.53Å; G192-Y194 WeakPolarHBondContact O-CD2 3.3Å; Y194-V198 HydrophobicContact CD1-CG1 4.31Å; Y194-L199 HydrophobicContact CD1-CD2 3.5Å; Y194-L199 HydrophobicContact CD1-CG 4.17Å; Y194-L199 HydrophobicContact CE1-CD2 4.14Å; Y194-L199 HydrophobicContact CG-CD2 4.25Å; Y194-L202 HydrophobicContact CD1-CD1 4.47Å; Y194-L202 HydrophobicContact CE1-CD1 3.97Å; Y194-G241 VanDerWaalsContact OH-CA 3.28Å; Y194-G241 WeakPolarHBondContact OH-CA 3.48Å; Y194-L242 HydrophobicContact CD1-CD1 4.14Å; Y194-L242 HydrophobicContact CD1-CG 4.34Å; Y194-L242 HydrophobicContact CD2-CD1 4.37Å; Y194-L242 HydrophobicContact CE1-CB 4.34Å; Y194-L242 HydrophobicContact CE1-CD1 3.87Å; Y194-L242 HydrophobicContact CE1-CG 3.65Å; Y194-L242 HydrophobicContact CE2-CD1 4.14Å; Y194-L242 HydrophobicContact CE2-CG 4.43Å; Y194-L242 HydrophobicContact CG-CD1 4.41Å; Y194-L242 PolarHBondContact OH-N 3.41Å; Y194-N245 HydrophobicContact CE2-CB 4.24Å; Y194-N245 VanDerWaalsContact CE2-O 3.25Å; Y194-N245 WeakPolarHBondContact CE2-O 3.1Å; Y194-N245 VanDerWaalsContact CZ-O 3.3Å; Y194-N245 PolarHBondContact OH-O 3.03Å; Y194-L247 HydrophobicContact CD1-CD2 4.46Å; Y194-L247 HydrophobicContact CE1-CD2 3.65Å
195S82.8Confident79.1Confident51 Ų5183.8 Ų83.836%0.35742%0.419SS..  trans-88.3167.1164.172.50000111D197 V198 L199S195-D197 PolarHBondContact O-N 2.89Å; S195-V198 PolarHBondContact O-N 3.49Å; S195-V198 WeakPolarHBondContact OG-CG2 3.49Å; S195-V198 PolarHBondContact OG-N 3.09Å; S195-L199 WeakPolarHBondContact O-CG 3.31Å; S195-L199 PolarHBondContact O-N 3.29Å
196Q78.8Confident79.3Confident113 Ų11377.5 Ų77.553%0.52839%0.391SS..Hα-helixtrans-54-43173.3-178.2174.7-20.500111.5L199 L200 V212 V214Q196-L199 PolarHBondContact O-N 3.32Å; Q196-L200 WeakPolarHBondContact O-CB 3.37Å; Q196-L200 PolarHBondContact O-N 3.38Å; Q196-V212 HydrophobicContact CG-CB 4.19Å; Q196-V212 HydrophobicContact CG-CG1 4.07Å; Q196-V214 HydrophobicContact CB-CG2 4.22Å
197D82.9Confident79.8Confident103 Ų10369.6 Ų69.655%0.55136%0.363SS*.Hα-helixtrans-66.6-38.4179.7-54.9-58.4000113.2S195 K201S195-D197 PolarHBondContact O-N 2.89Å; D197-K201 VanDerWaalsContact O-CG 3.31Å; D197-K201 WeakPolarHBondContact O-CG 3.42Å; D197-K201 PolarHBondContact O-N 3.36Å
198V85.3Confident80Confident44 Ų4467.5 Ų67.527%0.26735%0.352SS..Hα-helixtrans-66.7-44.4177.8172.30000110.1Y194 S195 K201 L202 L242Y194-V198 HydrophobicContact CD1-CG1 4.31Å; S195-V198 PolarHBondContact O-N 3.49Å; S195-V198 WeakPolarHBondContact OG-CG2 3.49Å; S195-V198 PolarHBondContact OG-N 3.09Å; V198-K201 PolarHBondContact O-N 2.86Å; V198-L202 HydrophobicContact CG1-CD1 3.99Å; V198-L202 WeakPolarHBondContact O-CG 3.41Å; V198-L202 PolarHBondContact O-N 3.07Å; V198-L242 HydrophobicContact CG1-CD1 4.4Å; V198-L242 HydrophobicContact CG1-CD2 4.26Å
199L84.1Confident80.2Confident0 Ų066.4 Ų66.40%035%0.346CS..Hα-helixtrans-64.6-40.9177.3-69.8173.3000111.9L180 W182 Y194 S195 Q196 L202 L203 V212 V214 A222 L247L180-L199 HydrophobicContact CD1-CD1 4.36Å; L180-L199 HydrophobicContact CD1-CD2 3.93Å; W182-L199 HydrophobicContact CH2-CD1 3.74Å; W182-L199 HydrophobicContact CZ3-CD1 4.06Å; W182-L199 HydrophobicContact CZ3-CD2 4.4Å; Y194-L199 HydrophobicContact CD1-CD2 3.5Å; Y194-L199 HydrophobicContact CD1-CG 4.17Å; Y194-L199 HydrophobicContact CE1-CD2 4.14Å; Y194-L199 HydrophobicContact CG-CD2 4.25Å; S195-L199 WeakPolarHBondContact O-CG 3.31Å; S195-L199 PolarHBondContact O-N 3.29Å; Q196-L199 PolarHBondContact O-N 3.32Å; L199-L202 PolarHBondContact O-N 3.3Å; L199-L203 VanDerWaalsContact O-CB 3.3Å; L199-L203 WeakPolarHBondContact O-CB 3.32Å; L199-L203 WeakPolarHBondContact O-CD1 3.37Å; L199-L203 VanDerWaalsContact O-CG 3.24Å; L199-L203 WeakPolarHBondContact O-CG 3.46Å; L199-L203 PolarHBondContact O-N 2.92Å; L199-V212 HydrophobicContact CB-CG1 4.01Å; L199-V212 HydrophobicContact CD1-CG1 4.26Å; L199-V214 HydrophobicContact CD1-CG2 3.87Å; L199-A222 HydrophobicContact CD1-CB 3.74Å; L199-L247 HydrophobicContact CD2-CD2 4.24Å
200L82.1Confident80.2Confident73 Ų7361.8 Ų61.838%0.38233%0.327SS..Hα-helixtrans-60.7-48.5175.9-168.274.5000110.9Q196 L202 L203 H204 V209 V212Q196-L200 WeakPolarHBondContact O-CB 3.37Å; Q196-L200 PolarHBondContact O-N 3.38Å; L200-L202 VanDerWaalsContact C-N 3.34Å; L200-L202 PolarHBondContact O-N 3.26Å; L200-L203 PolarHBondContact O-N 2.81Å; L200-H204 VanDerWaalsContact O-CB 3.22Å; L200-H204 WeakPolarHBondContact O-CB 3.26Å; L200-H204 PolarHBondContact O-N 3.31Å; L200-V209 HydrophobicContact CD1-CB 4.02Å; L200-V209 HydrophobicContact CD1-CG1 3.94Å; L200-V212 HydrophobicContact CD1-CG2 3.84Å
201K85.6Confident80.3Confident167 Ų16759.6 Ų59.673%0.72632%0.316SS*.Hα-helixtrans-60.5-40.3178-74.2174.7-174.9177.40113.1D197 V198D197-K201 VanDerWaalsContact O-CG 3.31Å; D197-K201 WeakPolarHBondContact O-CG 3.42Å; D197-K201 PolarHBondContact O-N 3.36Å; V198-K201 PolarHBondContact O-N 2.86Å
202L85.1Confident80.4Confident34 Ų3459 Ų5918%0.17831%0.313CS..Hα-helixtrans-67.4-39.8178.5-74.6170.1000112Y194 V198 L199 L200 K205 L242Y194-L202 HydrophobicContact CD1-CD1 4.47Å; Y194-L202 HydrophobicContact CE1-CD1 3.97Å; V198-L202 HydrophobicContact CG1-CD1 3.99Å; V198-L202 WeakPolarHBondContact O-CG 3.41Å; V198-L202 PolarHBondContact O-N 3.07Å; L199-L202 PolarHBondContact O-N 3.3Å; L200-L202 VanDerWaalsContact C-N 3.34Å; L200-L202 PolarHBondContact O-N 3.26Å; L202-K205 WeakPolarHBondContact O-CD 3.24Å; L202-K205 VanDerWaalsContact O-CE 3.22Å; L202-K205 WeakPolarHBondContact O-CE 3.46Å; L202-K205 WeakPolarHBondContact O-CG 3.47Å; L202-L242 HydrophobicContact CD1-CD2 4.46Å
203L84.1Confident80.7Confident0 Ų063.8 Ų63.80%034%0.335CS..Hα-helixtrans-90.6-27.3-169.9-67169.5000113.5L180 L199 L200 K205 Y206 V209 V224 F226 A235 E239 I249L180-L203 HydrophobicContact CD1-CD1 3.73Å; L199-L203 VanDerWaalsContact O-CB 3.3Å; L199-L203 WeakPolarHBondContact O-CB 3.32Å; L199-L203 WeakPolarHBondContact O-CD1 3.37Å; L199-L203 VanDerWaalsContact O-CG 3.24Å; L199-L203 WeakPolarHBondContact O-CG 3.46Å; L199-L203 PolarHBondContact O-N 2.92Å; L200-L203 PolarHBondContact O-N 2.81Å; L203-K205 PolarHBondContact O-N 3.44Å; L203-K205 VanDerWaalsContact O-N 3.12Å; L203-Y206 PolarHBondContact O-N 3.44Å; L203-V209 HydrophobicContact CB-CG2 3.97Å; L203-V224 HydrophobicContact CD1-CB 4.19Å; L203-V224 HydrophobicContact CD1-CG1 3.93Å; L203-V224 HydrophobicContact CD1-CG2 3.71Å; L203-F226 HydrophobicContact CB-CE1 4.45Å; L203-F226 HydrophobicContact CB-CZ 3.8Å; L203-F226 HydrophobicContact CD2-CZ 4.09Å; L203-F226 HydrophobicContact CG-CZ 4.38Å; L203-A235 HydrophobicContact CD2-CB 4.14Å; L203-E239 HydrophobicContact CD2-CG 4.26Å; L203-I249 HydrophobicContact CD2-CD1 4.49Å
204H82.8Confident80.9Confident107 Ų10763.9 Ų63.950%0.49533%0.329SS..G310 helixtrans-61.6-20.6177.4-161.675000113.1L200 Y206 G207 D208L200-H204 VanDerWaalsContact O-CB 3.22Å; L200-H204 WeakPolarHBondContact O-CB 3.26Å; L200-H204 PolarHBondContact O-N 3.31Å; H204-Y206 PolarHBondContact O-N 3.45Å; H204-G207 PolarHBondContact O-N 3.43Å; H204-D208 IonicContact CE1-OD1 3.1Å
205K83.4Confident80.8Confident121 Ų12165.7 Ų65.753%0.52634%0.342SS..G310 helixtrans-67.4-16.8175.579.9-163.9-178.6-169.50113.9L202 L203 E239L202-K205 WeakPolarHBondContact O-CD 3.24Å; L202-K205 VanDerWaalsContact O-CE 3.22Å; L202-K205 WeakPolarHBondContact O-CE 3.46Å; L202-K205 WeakPolarHBondContact O-CG 3.47Å; L203-K205 PolarHBondContact O-N 3.44Å; L203-K205 VanDerWaalsContact O-N 3.12Å; K205-E239 WeakPolarHBondContact CE-OE2 3.14Å; K205-E239 IonicContact NZ-OE1 3.93Å; K205-E239 IonicContact NZ-OE2 3.18Å; K205-E239 PolarHBondContact NZ-OE2 3.14Å
206Y81.9Confident80.4Confident41 Ų4168.9 Ų68.916%0.16136%0.364CS..G310 helixtrans-99.6-14178.4-58.4-69.6000113.3L203 H204 A231 L234 A235 N238 E239L203-Y206 PolarHBondContact O-N 3.44Å; H204-Y206 PolarHBondContact O-N 3.45Å; Y206-A231 WeakPolarHBondContact O-CA 3.41Å; Y206-A231 VanDerWaalsContact O-CB 3.3Å; Y206-A231 WeakPolarHBondContact O-CB 3.41Å; Y206-L234 HydrophobicContact CD1-CB 3.95Å; Y206-L234 HydrophobicContact CG-CB 4.44Å; Y206-A235 HydrophobicContact CD2-CB 3.79Å; Y206-A235 HydrophobicContact CE2-CB 4.36Å; Y206-A235 HydrophobicContact CG-CB 4.12Å; Y206-N238 HydrophobicContact CE1-CB 3.66Å; Y206-N238 VanDerWaalsContact OH-C 3.22Å; Y206-N238 PolarHBondContact OH-O 2.95Å; Y206-E239 HydrophobicContact CE2-CB 3.68Å; Y206-E239 HydrophobicContact CE2-CG 4.2Å; Y206-E239 WeakPolarHBondContact CE2-OE2 3.16Å; Y206-E239 WeakPolarHBondContact OH-CA 3.46Å; Y206-E239 PolarHBondContact OH-N 3.17Å
207G76.8Confident79.9Confident24 Ų2472.9 Ų72.925%0.24738%0.38CS..SBendtrans149.4-176.6177.300000112.6H204 V209H204-G207 PolarHBondContact O-N 3.43Å; G207-V209 PolarHBondContact O-N 2.92Å
208D71.9Confident79.6Confident107 Ų10775.5 Ų75.557%0.57239%0.386SS*.  trans-67.7124.7-175-62-41.6000111.8H204 A227H204-D208 IonicContact CE1-OD1 3.1Å; D208-A227 HydrophobicContact CB-CB 3.88Å; D208-A227 PolarHBondContact O-N 3.45Å
209V77.4Confident79.4Confident22 Ų2278.7 Ų78.713%0.13340%0.397CS..EExtended strand (participates in β ladder)trans-101.6121.6178.11800000107.8L200 L203 G207 V212 V224 F226L200-V209 HydrophobicContact CD1-CB 4.02Å; L200-V209 HydrophobicContact CD1-CG1 3.94Å; L203-V209 HydrophobicContact CB-CG2 3.97Å; G207-V209 PolarHBondContact O-N 2.92Å; V209-V212 HydrophobicContact CG1-CG2 3.53Å; V209-V224 HydrophobicContact CG1-CG1 3.58Å; V209-F226 HydrophobicContact CG2-CD1 3.95Å; V209-F226 HydrophobicContact CG2-CE1 3.6Å; V209-F226 HydrophobicContact CG2-CZ 3.99Å
210L68.8Low79.4Confident88 Ų8878.9 Ų78.946%0.46140%0.399SS..EExtended strand (participates in β ladder)trans-83.2-46.3-178.7-63.4178.2000111.3T175 E225 A227T175-L210 HydrophobicContact CG2-CD1 3.65Å; L210-E225 HydrophobicContact CB-CB 4.42Å; L210-E225 HydrophobicContact CB-CG 4.19Å; L210-E225 HydrophobicContact CD1-CG 4.29Å; L210-E225 PolarHBondContact N-O 3.23Å; L210-A227 HydrophobicContact CD1-CB 4.26Å; L210-A227 HydrophobicContact CD2-CB 4.01Å; L210-A227 HydrophobicContact CG-CB 4.01Å
211N74.2Confident79.6Confident87 Ų8776.5 Ų76.547%0.46539%0.388SS..EExtended strand (participates in β ladder)trans-142.8144.4-177.9-73.7-50.6000112V224 E225N211-V224 CarbonylContact O-C 3.57Å; N211-V224 VanDerWaalsContact O-CA 3.31Å; N211-V224 WeakPolarHBondContact O-CA 3.26Å; N211-E225 HydrophobicContact CB-CB 4.06Å; N211-E225 PolarHBondContact N-O 2.86Å; N211-E225 PolarHBondContact ND2-OE2 3.47Å; N211-E225 PolarHBondContact O-N 3.19Å
212V81.9Confident79.7Confident10 Ų1068.6 Ų68.66%0.06135%0.354CS..EExtended strand (participates in β ladder)trans-133.6116.9171178.20000108.5Q196 L199 L200 V209 V224Q196-V212 HydrophobicContact CG-CB 4.19Å; Q196-V212 HydrophobicContact CG-CG1 4.07Å; L199-V212 HydrophobicContact CB-CG1 4.01Å; L199-V212 HydrophobicContact CD1-CG1 4.26Å; L200-V212 HydrophobicContact CD1-CG2 3.84Å; V209-V212 HydrophobicContact CG1-CG2 3.53Å; V212-V224 HydrophobicContact CB-CG2 4.26Å; V212-V224 HydrophobicContact CG1-CG2 3.96Å; V212-V224 HydrophobicContact CG2-CG1 4.07Å; V212-V224 HydrophobicContact CG2-CG2 3.95Å
213I83Confident79.8Confident112 Ų11269.4 Ų69.457%0.57436%0.36SS*.EExtended strand (participates in β ladder)trans-119.7113.1-179.4-58173.3000109A222 V223I213-A222 CarbonylContact O-C 3.58Å; I213-A222 WeakPolarHBondContact O-CA 3.49Å; I213-A222 VanDerWaalsContact O-CB 3.25Å; I213-A222 WeakPolarHBondContact O-CB 3.37Å; I213-V223 PolarHBondContact N-O 2.88Å; I213-V223 PolarHBondContact O-N 3.49Å
214V83.6Confident79.8Confident36 Ų3669.4 Ų69.422%0.21836%0.36CS..EExtended strand (participates in β ladder)trans-88131.9172.4-174.80000109.5W182 N191 Q196 L199 S216 A222W182-V214 HydrophobicContact CH2-CG1 4.4Å; W182-V214 HydrophobicContact CZ2-CG1 4.39Å; N191-V214 VanDerWaalsContact ND2-CG1 3.27Å; N191-V214 WeakPolarHBondContact ND2-CG1 3.44Å; Q196-V214 HydrophobicContact CB-CG2 4.22Å; L199-V214 HydrophobicContact CD1-CG2 3.87Å; V214-S216 PolarHBondContact O-N 2.96Å; V214-A222 HydrophobicContact CG2-CB 4.19Å
215S79.6Confident79.8Confident40 Ų4066.1 Ų66.128%0.2835%0.345SS..  trans-72.3116.4-176.2-171.60000111.9K217 K218 S221S215-K217 VanDerWaalsContact C-N 3.34Å; S215-K218 WeakPolarHBondContact CB-O 3.38Å; S215-K218 PolarHBondContact OG-N 2.85Å; S215-S221 WeakPolarHBondContact CB-O 3.28Å; S215-S221 PolarHBondContact N-O 3.43Å
216S74.6Confident79.4Confident118 Ų11860.3 Ų60.383%0.82532%0.32SS*.SBendtrans-72.5-26.3171.956.40000113.2V214V214-S216 PolarHBondContact O-N 2.96Å
217K69.9Low78.9Confident197 Ų19760.8 Ų60.886%0.85733%0.332SS*.SBendtrans-84.7-29.3-179-63.7-175.8-179.7179.30113.5S215S215-K217 VanDerWaalsContact C-N 3.34Å
218K75.8Confident78.7Confident158 Ų15862.4 Ų62.469%0.68734%0.339SS*.SBendtrans-134.496.7-179-68.2-176.1-178.8177.20109.8S215S215-K218 WeakPolarHBondContact CB-O 3.38Å; S215-K218 PolarHBondContact OG-N 2.85Å
219K80.5Confident78.9Confident111 Ų11160 Ų6048%0.48333%0.328SS..THydrogen-bonded Turntrans-52.9142.7173.1-66.5-171.1177.2-174.80110.7C184 D188 N191C184-K219 HydrophobicContact CB-CB 4.26Å; D188-K219 PolarHBondContact O-NZ 3.34Å; N191-K219 WeakPolarHBondContact OD1-CA 3.4Å; N191-K219 WeakPolarHBondContact OD1-CB 3.45Å
220G83.7Confident78.7Confident4 Ų468 Ų684%0.04136%0.356CS..THydrogen-bonded Turntrans88.616.3-177.700000116.3K181 W182 N191K181-G220 WeakPolarHBondContact CA-O 3.26Å; W182-G220 PolarHBondContact N-O 3.21Å; N191-G220 PolarHBondContact OD1-N 3.34Å
221S86.2Confident79.2Confident22 Ų2264 Ų6415%0.15434%0.337CS..EExtended strand (participates in β ladder)trans-142.9142.2179.8-165.90000113L180 S215L180-S221 VanDerWaalsContact O-CA 3.29Å; L180-S221 WeakPolarHBondContact O-CA 3.42Å; L180-S221 PolarHBondContact O-OG 3.4Å; S215-S221 WeakPolarHBondContact CB-O 3.28Å; S215-S221 PolarHBondContact N-O 3.43Å
222A87.9Confident79.6Confident2 Ų259.9 Ų59.92%0.01731%0.314CS..EExtended strand (participates in β ladder)trans-140.1163.7168.300000112L180 W182 L199 I213 V214L180-A222 HydrophobicContact CB-CB 4.29Å; L180-A222 HydrophobicContact CD1-CB 4.34Å; L180-A222 PolarHBondContact N-O 3.35Å; L180-A222 PolarHBondContact O-N 2.91Å; W182-A222 HydrophobicContact CH2-CB 3.62Å; W182-A222 HydrophobicContact CZ3-CB 3.79Å; L199-A222 HydrophobicContact CD1-CB 3.74Å; I213-A222 CarbonylContact O-C 3.58Å; I213-A222 WeakPolarHBondContact O-CA 3.49Å; I213-A222 VanDerWaalsContact O-CB 3.25Å; I213-A222 WeakPolarHBondContact O-CB 3.37Å; V214-A222 HydrophobicContact CG2-CB 4.19Å
223V87.2Confident79.7Confident50 Ų5062.5 Ų62.530%0.30333%0.326SS..EExtended strand (participates in β ladder)trans-121.1135.8169.1179.80000108.1L178 I213 L252L178-V223 CarbonylContact O-C 3.54Å; L178-V223 WeakPolarHBondContact O-CA 3.14Å; I213-V223 PolarHBondContact N-O 2.88Å; I213-V223 PolarHBondContact O-N 3.49Å; V223-L252 HydrophobicContact CG1-CD1 4.42Å; V223-L252 HydrophobicContact CG2-CD1 4.26Å
224V84.9Confident79.5Confident1 Ų160.5 Ų60.51%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-129.4137.8-179.2178.30000110K177 L178 L180 L203 V209 N211 V212 F226K177-V224 CarbonylContact C-O 3.46Å; K177-V224 WeakPolarHBondContact CA-O 3.3Å; L178-V224 PolarHBondContact N-O 3.09Å; L178-V224 PolarHBondContact O-N 2.86Å; L180-V224 HydrophobicContact CD1-CB 4.44Å; L180-V224 HydrophobicContact CD1-CG2 3.48Å; L180-V224 VanDerWaalsContact CD1-CG2 3.48Å; L180-V224 HydrophobicContact CG-CG2 4.25Å; L203-V224 HydrophobicContact CD1-CB 4.19Å; L203-V224 HydrophobicContact CD1-CG1 3.93Å; L203-V224 HydrophobicContact CD1-CG2 3.71Å; V209-V224 HydrophobicContact CG1-CG1 3.58Å; N211-V224 CarbonylContact O-C 3.57Å; N211-V224 VanDerWaalsContact O-CA 3.31Å; N211-V224 WeakPolarHBondContact O-CA 3.26Å; V212-V224 HydrophobicContact CB-CG2 4.26Å; V212-V224 HydrophobicContact CG1-CG2 3.96Å; V212-V224 HydrophobicContact CG2-CG1 4.07Å; V212-V224 HydrophobicContact CG2-CG2 3.95Å; V224-F226 HydrophobicContact CG1-CD2 3.98Å; V224-F226 HydrophobicContact CG1-CE2 3.68Å; V224-F226 HydrophobicContact CG1-CZ 4.43Å
225E82.1Confident79.6Confident37 Ų3758.8 Ų58.817%0.17331%0.305CS..EExtended strand (participates in β ladder)trans-113.9127.2178.4-174.6-179.7-177.300109.3T175 P176 K177 L210 N211T175-E225 VanDerWaalsContact CB-OE1 3.28Å; T175-E225 WeakPolarHBondContact CB-OE1 3.49Å; T175-E225 PolarHBondContact OG1-OE1 3.04Å; P176-E225 WeakPolarHBondContact O-CA 3.42Å; K177-E225 HydrophobicContact CG-CB 4.18Å; K177-E225 HydrophobicContact CG-CG 4.05Å; L210-E225 HydrophobicContact CB-CB 4.42Å; L210-E225 HydrophobicContact CB-CG 4.19Å; L210-E225 HydrophobicContact CD1-CG 4.29Å; L210-E225 PolarHBondContact N-O 3.23Å; N211-E225 HydrophobicContact CB-CB 4.06Å; N211-E225 PolarHBondContact N-O 2.86Å; N211-E225 PolarHBondContact ND2-OE2 3.47Å; N211-E225 PolarHBondContact O-N 3.19Å
226F76.3Confident80Confident0 Ų058.9 Ų58.90%031%0.305CS..EExtended strand (participates in β ladder)trans-105150.9177.2-78.9-97.2000110.8P176 L178 L203 V209 V224 S228 A231 A232 A235P176-F226 VanDerWaalsContact CD-O 3.26Å; P176-F226 WeakPolarHBondContact CD-O 3.34Å; P176-F226 HydrophobicContact CG-CB 3.94Å; P176-F226 PolarHBondContact O-N 2.87Å; L178-F226 HydrophobicContact CD1-CD2 4.08Å; L178-F226 HydrophobicContact CD1-CE2 3.78Å; L203-F226 HydrophobicContact CB-CE1 4.45Å; L203-F226 HydrophobicContact CB-CZ 3.8Å; L203-F226 HydrophobicContact CD2-CZ 4.09Å; L203-F226 HydrophobicContact CG-CZ 4.38Å; V209-F226 HydrophobicContact CG2-CD1 3.95Å; V209-F226 HydrophobicContact CG2-CE1 3.6Å; V209-F226 HydrophobicContact CG2-CZ 3.99Å; V224-F226 HydrophobicContact CG1-CD2 3.98Å; V224-F226 HydrophobicContact CG1-CE2 3.68Å; V224-F226 HydrophobicContact CG1-CZ 4.43Å; F226-S228 PolarHBondContact O-N 2.85Å; F226-A231 HydrophobicContact CD1-CB 3.68Å; F226-A231 HydrophobicContact CE1-CB 4.26Å; F226-A231 HydrophobicContact CG-CB 4.41Å; F226-A232 HydrophobicContact CB-CB 4.15Å; F226-A232 HydrophobicContact CD2-CB 4.11Å; F226-A232 HydrophobicContact CG-CB 4.23Å; F226-A235 HydrophobicContact CE2-CB 4.22Å; F226-A235 HydrophobicContact CZ-CB 3.78Å
227A70.8Confident80.5Confident50 Ų5060.1 Ų60.141%0.41330%0.295SS..SBendtrans-70.8-19.7175.100000112.9D208 L210D208-A227 HydrophobicContact CB-CB 3.88Å; D208-A227 PolarHBondContact O-N 3.45Å; L210-A227 HydrophobicContact CD1-CB 4.26Å; L210-A227 HydrophobicContact CD2-CB 4.01Å; L210-A227 HydrophobicContact CG-CB 4.01Å
228S72.6Confident81.1Confident58 Ų5855.3 Ų55.341%0.40628%0.279SS..  trans-139.7137.1-176-178.70000112.7F226 R230 A231 A232F226-S228 PolarHBondContact O-N 2.85Å; S228-R230 PolarHBondContact O-N 2.81Å; S228-R230 PolarHBondContact OG-N 2.61Å; S228-A231 WeakPolarHBondContact O-CB 3.4Å; S228-A231 PolarHBondContact O-N 3.49Å; S228-A231 VanDerWaalsContact O-N 3.1Å; S228-A232 PolarHBondContact O-N 2.94Å; S228-A232 VanDerWaalsContact O-N 3.12Å
229V75.3Confident81.6Confident56 Ų5648.6 Ų48.634%0.33925%0.25SC..Hα-helixtrans-57-36.8174.9-178.60000111.4P176 A231 A232 E233 W251 P256P176-V229 HydrophobicContact CB-CG2 4.38Å; P176-V229 HydrophobicContact CG-CG2 4.24Å; V229-A231 PolarHBondContact O-N 2.83Å; V229-A232 PolarHBondContact O-N 3.5Å; V229-E233 WeakPolarHBondContact O-CB 3.22Å; V229-E233 PolarHBondContact O-N 3.43Å; V229-W251 HydrophobicContact CG1-CH2 4.45Å; V229-P256 HydrophobicContact CG1-CB 4.32Å
230R73.8Confident81.7Confident190 Ų19047 Ų4772%0.71725%0.253SS*.Hα-helixtrans-64.9-39.5177.5-172.2178.8-179.9176.20.1112.1S228 E233 L234S228-R230 PolarHBondContact O-N 2.81Å; S228-R230 PolarHBondContact OG-N 2.61Å; R230-E233 PolarHBondContact O-N 3.24Å; R230-L234 VanDerWaalsContact O-CG 3.31Å; R230-L234 WeakPolarHBondContact O-CG 3.46Å; R230-L234 PolarHBondContact O-N 3Å
231A79.5Confident81.7Confident6 Ų647.5 Ų47.55%0.0526%0.258CS..Hα-helixtrans-67.2-43.3177.100000111.2Y206 F226 S228 V229 E233 L234 A235Y206-A231 WeakPolarHBondContact O-CA 3.41Å; Y206-A231 VanDerWaalsContact O-CB 3.3Å; Y206-A231 WeakPolarHBondContact O-CB 3.41Å; F226-A231 HydrophobicContact CD1-CB 3.68Å; F226-A231 HydrophobicContact CE1-CB 4.26Å; F226-A231 HydrophobicContact CG-CB 4.41Å; S228-A231 WeakPolarHBondContact O-CB 3.4Å; S228-A231 PolarHBondContact O-N 3.49Å; S228-A231 VanDerWaalsContact O-N 3.1Å; V229-A231 PolarHBondContact O-N 2.83Å; A231-E233 PolarHBondContact O-N 3.4Å; A231-L234 PolarHBondContact O-N 3.46Å; A231-A235 PolarHBondContact O-N 3.46Å
232A82.6Confident81.6Confident0 Ų049.4 Ų49.40%027%0.266CS..Hα-helixtrans-61.9-41.2174.900000112.2P176 L178 F226 S228 V229 A235 V236 W251P176-A232 HydrophobicContact CB-CB 3.63Å; P176-A232 HydrophobicContact CG-CB 3.74Å; L178-A232 HydrophobicContact CD1-CB 3.98Å; L178-A232 HydrophobicContact CD2-CB 4.38Å; L178-A232 HydrophobicContact CG-CB 4.22Å; F226-A232 HydrophobicContact CB-CB 4.15Å; F226-A232 HydrophobicContact CD2-CB 4.11Å; F226-A232 HydrophobicContact CG-CB 4.23Å; S228-A232 PolarHBondContact O-N 2.94Å; S228-A232 VanDerWaalsContact O-N 3.12Å; V229-A232 PolarHBondContact O-N 3.5Å; A232-A235 PolarHBondContact O-N 3.3Å; A232-V236 VanDerWaalsContact O-CG2 3.32Å; A232-V236 WeakPolarHBondContact O-CG2 3.41Å; A232-V236 PolarHBondContact O-N 3Å; A232-W251 HydrophobicContact CB-CH2 3.58Å; A232-W251 HydrophobicContact CB-CZ3 3.7Å
233E83.2Confident80.9Confident64 Ų6455.8 Ų55.830%0.29931%0.31SS..Hα-helixtrans-64.9-43177.6-169-172.2179.900112.5V229 R230 A231 A235 V236 K237 W251V229-E233 WeakPolarHBondContact O-CB 3.22Å; V229-E233 PolarHBondContact O-N 3.43Å; R230-E233 PolarHBondContact O-N 3.24Å; A231-E233 PolarHBondContact O-N 3.4Å; E233-A235 VanDerWaalsContact C-N 3.32Å; E233-A235 PolarHBondContact O-N 2.93Å; E233-V236 PolarHBondContact O-N 3.39Å; E233-K237 HydrophobicContact CG-CD 4.2Å; E233-K237 WeakPolarHBondContact O-CB 3.42Å; E233-K237 WeakPolarHBondContact O-CG 3.34Å; E233-K237 PolarHBondContact O-N 2.96Å; E233-K237 WeakPolarHBondContact OE1-CE 3.49Å; E233-K237 IonicContact OE1-NZ 2.98Å; E233-K237 PolarHBondContact OE1-NZ 2.98Å; E233-W251 HydrophobicContact CB-CH2 4.25Å; E233-W251 HydrophobicContact CB-CZ2 4.05Å; E233-W251 HydrophobicContact CG-CZ2 4.42Å
234L79.9Confident80.5Confident70 Ų7057 Ų5737%0.36633%0.333SS..Hα-helixtrans-63.3-39.1175.7-72173.5000111.8Y206 R230 A231 K237 N238Y206-L234 HydrophobicContact CD1-CB 3.95Å; Y206-L234 HydrophobicContact CG-CB 4.44Å; R230-L234 VanDerWaalsContact O-CG 3.31Å; R230-L234 WeakPolarHBondContact O-CG 3.46Å; R230-L234 PolarHBondContact O-N 3Å; A231-L234 PolarHBondContact O-N 3.46Å; L234-K237 PolarHBondContact O-N 2.89Å; L234-N238 WeakPolarHBondContact O-CB 3.21Å; L234-N238 PolarHBondContact O-N 3.39Å; L234-N238 PolarHBondContact O-ND2 3.34Å
235A86.1Confident80.4Confident0 Ų058.1 Ų58.10%034%0.339CS..Hα-helixtrans-63-48175.400000111.4L178 L203 Y206 F226 A231 A232 E233 K237 N238 E239L178-A235 HydrophobicContact CD1-CB 4.25Å; L203-A235 HydrophobicContact CD2-CB 4.14Å; Y206-A235 HydrophobicContact CD2-CB 3.79Å; Y206-A235 HydrophobicContact CE2-CB 4.36Å; Y206-A235 HydrophobicContact CG-CB 4.12Å; F226-A235 HydrophobicContact CE2-CB 4.22Å; F226-A235 HydrophobicContact CZ-CB 3.78Å; A231-A235 PolarHBondContact O-N 3.46Å; A232-A235 PolarHBondContact O-N 3.3Å; E233-A235 VanDerWaalsContact C-N 3.32Å; E233-A235 PolarHBondContact O-N 2.93Å; A235-K237 VanDerWaalsContact C-N 3.29Å; A235-K237 PolarHBondContact O-N 3.45Å; A235-N238 PolarHBondContact O-N 3.07Å; A235-E239 WeakPolarHBondContact O-CB 3.35Å; A235-E239 PolarHBondContact O-N 3.04Å
236V87.6Confident80.6Confident43 Ų4360.6 Ų60.626%0.26136%0.358SS..Hα-helixtrans-59.2-39.7178173.70000112.1L178 A232 E233 I249 W251L178-V236 HydrophobicContact CD1-CG2 3.79Å; L178-V236 HydrophobicContact CD2-CG2 3.6Å; L178-V236 HydrophobicContact CG-CG2 4.35Å; A232-V236 VanDerWaalsContact O-CG2 3.32Å; A232-V236 WeakPolarHBondContact O-CG2 3.41Å; A232-V236 PolarHBondContact O-N 3Å; E233-V236 PolarHBondContact O-N 3.39Å; V236-I249 HydrophobicContact CB-CG2 4.42Å; V236-I249 HydrophobicContact CG2-CB 4.37Å; V236-I249 HydrophobicContact CG2-CG2 3.6Å; V236-W251 HydrophobicContact CG2-CD2 4.44Å; V236-W251 HydrophobicContact CG2-CZ2 4.09Å
237K83.7Confident81.2Confident143 Ų14361.2 Ų61.262%0.62236%0.362SS*.Hα-helixtrans-76.8-35.9-176.5-75.9176.1173.2173.30113.5E233 L234 A235E233-K237 HydrophobicContact CG-CD 4.2Å; E233-K237 WeakPolarHBondContact O-CB 3.42Å; E233-K237 WeakPolarHBondContact O-CG 3.34Å; E233-K237 PolarHBondContact O-N 2.96Å; E233-K237 WeakPolarHBondContact OE1-CE 3.49Å; E233-K237 IonicContact OE1-NZ 2.98Å; E233-K237 PolarHBondContact OE1-NZ 2.98Å; L234-K237 PolarHBondContact O-N 2.89Å; A235-K237 VanDerWaalsContact C-N 3.29Å; A235-K237 PolarHBondContact O-N 3.45Å
238N83.1Confident82Confident97 Ų9765.8 Ų65.852%0.51937%0.372SS..Hα-helixtrans-117.2-15.1-164.4-58.7-69.4000114.5Y206 L234 A235Y206-N238 HydrophobicContact CE1-CB 3.66Å; Y206-N238 VanDerWaalsContact OH-C 3.22Å; Y206-N238 PolarHBondContact OH-O 2.95Å; L234-N238 WeakPolarHBondContact O-CB 3.21Å; L234-N238 PolarHBondContact O-N 3.39Å; L234-N238 PolarHBondContact O-ND2 3.34Å; A235-N238 PolarHBondContact O-N 3.07Å
239E86.8Confident82.8Confident17 Ų1764 Ų648%0.07936%0.358CS..  trans-90.4129.2-178.6-172.155.1-88.800111.2L203 K205 Y206 A235 G241 L247 I249L203-E239 HydrophobicContact CD2-CG 4.26Å; K205-E239 WeakPolarHBondContact CE-OE2 3.14Å; K205-E239 IonicContact NZ-OE1 3.93Å; K205-E239 IonicContact NZ-OE2 3.18Å; K205-E239 PolarHBondContact NZ-OE2 3.14Å; Y206-E239 HydrophobicContact CE2-CB 3.68Å; Y206-E239 HydrophobicContact CE2-CG 4.2Å; Y206-E239 WeakPolarHBondContact CE2-OE2 3.16Å; Y206-E239 WeakPolarHBondContact OH-CA 3.46Å; Y206-E239 PolarHBondContact OH-N 3.17Å; A235-E239 WeakPolarHBondContact O-CB 3.35Å; A235-E239 PolarHBondContact O-N 3.04Å; E239-G241 PolarHBondContact OE1-N 3.42Å; E239-L247 HydrophobicContact CG-CD1 4.41Å; E239-L247 HydrophobicContact CG-CD2 4.47Å; E239-I249 HydrophobicContact CB-CD1 3.76Å; E239-I249 HydrophobicContact CG-CD1 4.12Å
240S82.1Confident83.3Confident78 Ų7864 Ų6455%0.54536%0.358SS..  trans-120.4-4.3176.452.40000112.4P246 L247S240-P246 CarbonylContact O-C 3.19Å; S240-P246 WeakPolarHBondContact O-CA 3.18Å; S240-P246 WeakPolarHBondContact O-CB 3.38Å; S240-L247 PolarHBondContact O-N 3.11Å
241G85.3Confident83.8Confident14 Ų1457.5 Ų57.514%0.14433%0.334CS..EExtended strand (participates in β ladder)trans83.7-159.4178.100000113.5Y194 E239 L247Y194-G241 VanDerWaalsContact OH-CA 3.28Å; Y194-G241 WeakPolarHBondContact OH-CA 3.48Å; E239-G241 PolarHBondContact OE1-N 3.42Å; G241-L247 VanDerWaalsContact CA-CD2 3.47Å
242L83.5Confident83.8Confident61 Ų6161.7 Ų61.732%0.31936%0.355SS..EExtended strand (participates in β ladder)trans-64.6135.2175.2-61.2174.3000110.7G193 Y194 V198 L202 G244 N245G193-L242 WeakPolarHBondContact O-CD1 3.36Å; Y194-L242 HydrophobicContact CD1-CD1 4.14Å; Y194-L242 HydrophobicContact CD1-CG 4.34Å; Y194-L242 HydrophobicContact CD2-CD1 4.37Å; Y194-L242 HydrophobicContact CE1-CB 4.34Å; Y194-L242 HydrophobicContact CE1-CD1 3.87Å; Y194-L242 HydrophobicContact CE1-CG 3.65Å; Y194-L242 HydrophobicContact CE2-CD1 4.14Å; Y194-L242 HydrophobicContact CE2-CG 4.43Å; Y194-L242 HydrophobicContact CG-CD1 4.41Å; Y194-L242 PolarHBondContact OH-N 3.41Å; V198-L242 HydrophobicContact CG1-CD1 4.4Å; V198-L242 HydrophobicContact CG1-CD2 4.26Å; L202-L242 HydrophobicContact CD1-CD2 4.46Å; L242-G244 PolarHBondContact O-N 2.95Å; L242-G244 VanDerWaalsContact O-N 3.11Å; L242-N245 CarbonylContact O-C 3.2Å; L242-N245 PolarHBondContact O-N 3.25Å
243S73.6Confident83.3Confident136 Ų13664.9 Ų64.995%0.95137%0.37SS*.THydrogen-bonded Turntrans-56.6-29.1-177.952.30000114.3
244G77.2Confident82.4Confident76 Ų7663 Ų6378%0.78437%0.367SS*.THydrogen-bonded Turntrans-86.7-11.7176.800000115.3L242L242-G244 PolarHBondContact O-N 2.95Å; L242-G244 VanDerWaalsContact O-N 3.11Å
245N84.2Confident81.8Confident24 Ų2465.6 Ų65.613%0.12838%0.377CS..EExtended strand (participates in β ladder)trans-156.984.8-177.8-174.918.3000110.3K183 G192 Y194 L242K183-N245 PolarHBondContact N-OD1 3Å; K183-N245 PolarHBondContact O-ND2 3.27Å; K183-N245 PolarHBondContact O-OD1 3.43Å; G192-N245 PolarHBondContact O-ND2 3.5Å; Y194-N245 HydrophobicContact CE2-CB 4.24Å; Y194-N245 VanDerWaalsContact CE2-O 3.25Å; Y194-N245 WeakPolarHBondContact CE2-O 3.1Å; Y194-N245 VanDerWaalsContact CZ-O 3.3Å; Y194-N245 PolarHBondContact OH-O 3.03Å; L242-N245 CarbonylContact O-C 3.2Å; L242-N245 PolarHBondContact O-N 3.25Å
246P86.3Confident80.7Confident90 Ų9067.6 Ų67.658%0.58439%0.39SS*.EExtended strand (participates in β ladder)trans-64.3145.6-173.926-34.5000111.8S240S240-P246 CarbonylContact O-C 3.19Å; S240-P246 WeakPolarHBondContact O-CA 3.18Å; S240-P246 WeakPolarHBondContact O-CB 3.38Å
247L88.7Confident78.9Confident13 Ų1374.3 Ų74.37%0.06842%0.419CS..  trans-101.6147.7176.270.583000110.7L180 W182 Y194 L199 E239 S240 G241 I249L180-L247 HydrophobicContact CD2-CD1 4.03Å; W182-L247 HydrophobicContact CB-CB 4.22Å; Y194-L247 HydrophobicContact CD1-CD2 4.46Å; Y194-L247 HydrophobicContact CE1-CD2 3.65Å; L199-L247 HydrophobicContact CD2-CD2 4.24Å; E239-L247 HydrophobicContact CG-CD1 4.41Å; E239-L247 HydrophobicContact CG-CD2 4.47Å; S240-L247 PolarHBondContact O-N 3.11Å; G241-L247 VanDerWaalsContact CA-CD2 3.47Å; L247-I249 HydrophobicContact CD1-CD1 3.64Å; L247-I249 HydrophobicContact CD1-CG1 3.21Å
248K87.7Confident77Confident145 Ų14573.4 Ų73.463%0.6343%0.425SS*.EExtended strand (participates in β ladder)trans-106126.7173.7-177.1171.8-177.9173.10109.2L180 K181L180-K248 CarbonylContact C-O 3.5Å; L180-K248 WeakPolarHBondContact CA-O 3.39Å; K181-K248 PolarHBondContact N-O 3.39Å; K181-K248 PolarHBondContact O-N 3.45Å
249I89.3Confident74.8Confident20 Ų2075.8 Ų75.810%0.10344%0.443CS..EExtended strand (participates in β ladder)trans-105132177.6-46.7-165.1000109.3L178 K179 L180 L203 V236 E239 L247L178-I249 HydrophobicContact CB-CG2 3.93Å; L178-I249 HydrophobicContact CD1-CG2 3.8Å; L178-I249 HydrophobicContact CD2-CG2 4.35Å; L178-I249 HydrophobicContact CG-CG2 4.25Å; K179-I249 WeakPolarHBondContact O-CA 3.41Å; L180-I249 HydrophobicContact CD2-CB 4.07Å; L180-I249 HydrophobicContact CD2-CD1 3.76Å; L180-I249 HydrophobicContact CD2-CG1 3.53Å; L180-I249 HydrophobicContact CD2-CG2 3.82Å; L203-I249 HydrophobicContact CD2-CD1 4.49Å; V236-I249 HydrophobicContact CB-CG2 4.42Å; V236-I249 HydrophobicContact CG2-CB 4.37Å; V236-I249 HydrophobicContact CG2-CG2 3.6Å; E239-I249 HydrophobicContact CB-CD1 3.76Å; E239-I249 HydrophobicContact CG-CD1 4.12Å; L247-I249 HydrophobicContact CD1-CD1 3.64Å; L247-I249 HydrophobicContact CD1-CG1 3.21Å
250T85.6Confident72.3Confident58 Ų5879.3 Ų79.336%0.35648%0.475SS..EExtended strand (participates in β ladder)trans-133.2141.5174.3510000109.8K179 L252K179-T250 PolarHBondContact N-O 3.2Å; K179-T250 PolarHBondContact O-N 3.49Å; K179-T250 PolarHBondContact O-OG1 3.1Å; T250-L252 PolarHBondContact O-N 3.42Å
251W84.4Confident70Confident52 Ų5280.3 Ų80.320%0.19749%0.488CS..EExtended strand (participates in β ladder)trans-62.4135.9171.8-66.695.8000110.7P176 L178 V229 A232 E233 V236 G254 Q255 P256P176-W251 HydrophobicContact CB-CZ3 3.81Å; L178-W251 HydrophobicContact CD2-CD2 3.59Å; L178-W251 HydrophobicContact CD2-CE3 3.42Å; L178-W251 VanDerWaalsContact CD2-CE3 3.42Å; L178-W251 HydrophobicContact CD2-CG 4.12Å; L178-W251 HydrophobicContact CD2-CH2 4.38Å; L178-W251 HydrophobicContact CD2-CZ3 3.86Å; V229-W251 HydrophobicContact CG1-CH2 4.45Å; A232-W251 HydrophobicContact CB-CH2 3.58Å; A232-W251 HydrophobicContact CB-CZ3 3.7Å; E233-W251 HydrophobicContact CB-CH2 4.25Å; E233-W251 HydrophobicContact CB-CZ2 4.05Å; E233-W251 HydrophobicContact CG-CZ2 4.42Å; V236-W251 HydrophobicContact CG2-CD2 4.44Å; V236-W251 HydrophobicContact CG2-CZ2 4.09Å; W251-G254 VanDerWaalsContact CZ3-O 3.26Å; W251-G254 WeakPolarHBondContact CZ3-O 3.47Å; W251-Q255 HydrophobicContact CB-CB 3.91Å; W251-Q255 HydrophobicContact CB-CG 4.13Å; W251-Q255 HydrophobicContact CD2-CB 3.92Å; W251-Q255 HydrophobicContact CD2-CG 3.97Å; W251-Q255 HydrophobicContact CE3-CB 4.1Å; W251-Q255 HydrophobicContact CG-CB 3.84Å; W251-Q255 HydrophobicContact CG-CG 3.72Å; W251-P256 VanDerWaalsContact CH2-CD 3.49Å; W251-P256 HydrophobicContact CH2-CG 4.36Å; W251-P256 VanDerWaalsContact CZ2-CD 3.43Å; W251-P256 HydrophobicContact CZ2-CG 4.09Å
252L78.8Confident67.3Low95 Ų9584 Ų8450%0.49752%0.517SS..EExtended strand (participates in β ladder)trans-110.9-42.4171.7-165.8155.9000109.5K177 K179 V223 T250K177-L252 HydrophobicContact CB-CB 4.4Å; K177-L252 WeakPolarHBondContact O-CA 3.37Å; K177-L252 WeakPolarHBondContact O-CB 3.49Å; K177-L252 PolarHBondContact O-N 3.06Å; K179-L252 HydrophobicContact CB-CB 4.47Å; K179-L252 HydrophobicContact CB-CD1 4.18Å; V223-L252 HydrophobicContact CG1-CD1 4.42Å; V223-L252 HydrophobicContact CG2-CD1 4.26Å; T250-L252 PolarHBondContact O-N 3.42Å
253E72.8Confident64.7Low67 Ų6786.9 Ų86.931%0.31354%0.542SS..EExtended strand (participates in β ladder)trans-150.6151.2179.7-158.2176.6179.300110.2V174 P176 K177V174-E253 HydrophobicContact CG1-CG 3.82Å; P176-E253 WeakPolarHBondContact CA-O 3.43Å; K177-E253 HydrophobicContact CB-CB 4.04Å; K177-E253 HydrophobicContact CD-CB 4.44Å; K177-E253 WeakPolarHBondContact CD-OE2 3.45Å; K177-E253 WeakPolarHBondContact CE-OE2 3.47Å; K177-E253 HydrophobicContact CG-CB 4.46Å; K177-E253 PolarHBondContact N-O 2.92Å; K177-E253 IonicContact NZ-OE2 3.86Å; K177-E253 PolarHBondContact NZ-OE2 3.35Å; K177-E253 PolarHBondContact O-N 2.97Å; K177-E253 VanDerWaalsContact O-N 3.08Å
254G63.3Low62.7Low23 Ų2388.9 Ų88.924%0.23754%0.537CS..  trans71.928.2177.900000114.9W251W251-G254 VanDerWaalsContact CZ3-O 3.26Å; W251-G254 WeakPolarHBondContact CZ3-O 3.47Å
255Q67.3Low60.3Low125 Ų12591.8 Ų91.858%0.58454%0.539SS*.  trans-63.3132173.9-174.6175-1500110.1W251 E257W251-Q255 HydrophobicContact CB-CB 3.91Å; W251-Q255 HydrophobicContact CB-CG 4.13Å; W251-Q255 HydrophobicContact CD2-CB 3.92Å; W251-Q255 HydrophobicContact CD2-CG 3.97Å; W251-Q255 HydrophobicContact CE3-CB 4.1Å; W251-Q255 HydrophobicContact CG-CB 3.84Å; W251-Q255 HydrophobicContact CG-CG 3.72Å; Q255-E257 PolarHBondContact O-N 3.01Å
256P63Low57.6Low42 Ų4294 Ų9427%0.27357%0.567SS.*  trans-62.5127.1176.623.1-31.5000110.4V229 W251 V258V229-P256 HydrophobicContact CG1-CB 4.32Å; W251-P256 VanDerWaalsContact CH2-CD 3.49Å; W251-P256 HydrophobicContact CH2-CG 4.36Å; W251-P256 VanDerWaalsContact CZ2-CD 3.43Å; W251-P256 HydrophobicContact CZ2-CG 4.09Å; P256-V258 PolarHBondContact O-N 2.95Å
257E51.2Low54.7Low185 Ų18598.6 Ų98.686%0.86458%0.581SS**  trans-68.3101.1175.6-163.5175.9-169.100108.6Q255 V259Q255-E257 PolarHBondContact O-N 3.01Å; E257-V259 PolarHBondContact O-N 2.9Å; E257-V259 VanDerWaalsContact O-N 3.07Å
258V43.8Very low51.7Low124 Ų124107 Ų10775%0.75262%0.617SS**  trans-71.3100.6173.7-101.60000108.4P256 A260P256-V258 PolarHBondContact O-N 2.95Å; V258-A260 PolarHBondContact O-N 3.44Å
259V36.4Very low48.7Very low146 Ų146107.8 Ų107.889%0.88563%0.625SS**  trans-65.684.3163.1-98.40000109E257E257-V259 PolarHBondContact O-N 2.9Å; E257-V259 VanDerWaalsContact O-N 3.07Å
260A34.5Very low45.7Very low92 Ų92111.7 Ų111.776%0.7665%0.654SS**  trans-86.4119.5165.400000108.7V258V258-A260 PolarHBondContact O-N 3.44Å
261A32.3Very low43Very low98 Ų98114.8 Ų114.881%0.8168%0.678SS**  trans-67.2145.4-179.500000113
262A29.3Very low40.6Very low93 Ų93121.5 Ų121.577%0.76971%0.712SS**  trans71.3112.8157.500000119.4
263S29.3Very low38.4Very low120 Ų120119.9 Ų119.984%0.83972%0.718SS**  163.7143.3104.9-64.40000111.3
264Q31.8Very low36.6Very low179 Ų179122.3 Ų122.384%0.83674%0.742SS**  trans-64.3149.2-172.9-61.2163.7900114.1
265T27.2Very low35.4Very low136 Ų136126.3 Ų126.383%0.83476%0.758SS**  143.4130.4122.655.20000113
266G26.8Very low34.3Very low70 Ų70124.6 Ų124.672%0.72276%0.759SS**  trans88.4104132.800000119.8
267H25.7Very low33.4Very low188 Ų188127.9 Ų127.987%0.8778%0.775SS**  trans76.899.5140.8-92.166.2000120.8
268F24.5Very low32.8Very low188 Ų188126.9 Ų126.983%0.82577%0.77SS**  37.3115.2119.2-125.1-102.2000118.2
269M25Very low32.6Very low162 Ų162130.4 Ų130.480%0.79877%0.77SS**  179138106.7-90.2-168.994.100112.1
270S26.1Very low32.9Very low102 Ų102126 Ų12671%0.71374%0.742SS**  trans74.382.4155.2-51.60000118.2Q272S270-Q272 PolarHBondContact O-N 3.4Å; S270-Q272 VanDerWaalsContact O-N 3.09Å
271S29.1Very low33.3Very low123 Ų123129.5 Ų129.586%0.8674%0.736SS**  trans-72.290.1159.859.70000110.8G273S271-G273 VanDerWaalsContact C-N 3.33Å
272Q35Very low34.2Very low194 Ų194129.9 Ų129.991%0.90772%0.721SS**  trans-90.183.5144.8-79.6-161.9-4500107S270 S274S270-Q272 PolarHBondContact O-N 3.4Å; S270-Q272 VanDerWaalsContact O-N 3.09Å; Q272-S274 PolarHBondContact O-N 3.08Å
273G31.8Very low35.1Very low61 Ų61129.6 Ų129.663%0.62971%0.71SS**  trans-68.3115.9174.300000109.6S271 L275S271-G273 VanDerWaalsContact C-N 3.33Å; G273-L275 PolarHBondContact O-N 3.28Å
274S35.9Very low36.3Very low117 Ų117126.5 Ų126.582%0.81869%0.686SS**  trans-62.4117.5173.7-154.40000109Q272 S276Q272-S274 PolarHBondContact O-N 3.08Å; S274-S276 PolarHBondContact O-N 3.28Å
275L37.9Very low37.6Very low107 Ų107121.5 Ų121.556%0.5667%0.668SS**  trans-74.5106.9-178.2-61.5165000109.3G273 D280G273-L275 PolarHBondContact O-N 3.28Å; L275-D280 HydrophobicContact CB-CB 4.13Å; L275-D280 HydrophobicContact CD2-CB 4.02Å
276S42.8Very low38.8Very low89 Ų89121.3 Ų121.362%0.62266%0.659SS**  trans-137.768.6168.856.80000108.9S274S274-S276 PolarHBondContact O-N 3.28Å
277N45.2Very low40.3Very low112 Ų112123.4 Ų123.460%0.59965%0.651SS**SBendtrans-138.8142.9159.1-105.5-10.1000108.8R279 D280 Y281N277-R279 PolarHBondContact O-N 3.46Å; N277-D280 WeakPolarHBondContact O-CA 3.27Å; N277-D280 WeakPolarHBondContact O-CB 3.41Å; N277-D280 PolarHBondContact O-N 3.11Å; N277-Y281 PolarHBondContact O-N 3.11Å
278E38.4Very low41.7Very low163 Ų163122.9 Ų122.976%0.76264%0.642SS**Hα-helixtrans-59.4-30.1-178.7-156.2154.5152.400112.5D280 Y281 E282E278-D280 VanDerWaalsContact C-N 3.27Å; E278-D280 PolarHBondContact O-N 3.05Å; E278-Y281 PolarHBondContact O-N 2.97Å; E278-E282 PolarHBondContact O-N 3.29Å
279R38.8Very low43.1Very low198 Ų198119.6 Ų119.675%0.74763%0.63SS**Hα-helixtrans-60.8-30.8169.5-99.4179.4175.2154.31.3113.8N277 T283N277-R279 PolarHBondContact O-N 3.46Å; R279-T283 WeakPolarHBondContact O-CB 3.4Å; R279-T283 PolarHBondContact O-N 3.48Å; R279-T283 PolarHBondContact O-OG1 2.94Å
280D42.5Very low44.7Very low55 Ų55121.3 Ų121.329%0.29463%0.628SS.*Hα-helixtrans-77.9-34.1178.6-61.3-35.7000110.8L275 N277 E278 T283 V284L275-D280 HydrophobicContact CB-CB 4.13Å; L275-D280 HydrophobicContact CD2-CB 4.02Å; N277-D280 WeakPolarHBondContact O-CA 3.27Å; N277-D280 WeakPolarHBondContact O-CB 3.41Å; N277-D280 PolarHBondContact O-N 3.11Å; E278-D280 VanDerWaalsContact C-N 3.27Å; E278-D280 PolarHBondContact O-N 3.05Å; D280-T283 PolarHBondContact O-N 3.48Å; D280-V284 VanDerWaalsContact O-CB 3.3Å; D280-V284 WeakPolarHBondContact O-CB 3.5Å; D280-V284 WeakPolarHBondContact O-CG2 3.5Å; D280-V284 PolarHBondContact O-N 3.34Å
281Y44.8Very low46Very low165 Ų165121.5 Ų121.565%0.64762%0.617SS**Hα-helixtrans-67.8-45171.5-88.1-89.9000111.5N277 E278 T283 V284 V285N277-Y281 PolarHBondContact O-N 3.11Å; E278-Y281 PolarHBondContact O-N 2.97Å; Y281-T283 VanDerWaalsContact C-N 3.34Å; Y281-T283 PolarHBondContact O-N 3.35Å; Y281-V284 PolarHBondContact O-N 3.49Å; Y281-V285 WeakPolarHBondContact O-CB 3.45Å; Y281-V285 WeakPolarHBondContact O-CG2 3.49Å; Y281-V285 PolarHBondContact O-N 2.93Å
282E51.4Low47.4Very low105 Ų105118.1 Ų118.149%0.49160%0.597SS.*Hα-helixtrans-60.8-42.8172-73-172.3154.700111.5E278 V284 V285 M286E278-E282 PolarHBondContact O-N 3.29Å; E282-V284 PolarHBondContact O-N 2.95Å; E282-V285 PolarHBondContact O-N 2.89Å; E282-M286 WeakPolarHBondContact O-CB 3.35Å; E282-M286 WeakPolarHBondContact O-CG 3.28Å; E282-M286 PolarHBondContact O-N 2.95Å
283T47.6Very low49.1Very low87 Ų87111.3 Ų111.353%0.53457%0.574SS.*Hα-helixtrans-64-41.1177.9-61.50000111.5R279 D280 Y281 M287R279-T283 WeakPolarHBondContact O-CB 3.4Å; R279-T283 PolarHBondContact O-N 3.48Å; R279-T283 PolarHBondContact O-OG1 2.94Å; D280-T283 PolarHBondContact O-N 3.48Å; Y281-T283 VanDerWaalsContact C-N 3.34Å; Y281-T283 PolarHBondContact O-N 3.35Å; T283-M287 WeakPolarHBondContact O-CB 3.48Å; T283-M287 PolarHBondContact O-N 2.96Å
284V53.8Low50.7Low55 Ų55114.3 Ų114.333%0.33357%0.572SS.*Hα-helixtrans-70.8-39.8177.9169.10000111.7D280 Y281 E282 M287 R288D280-V284 VanDerWaalsContact O-CB 3.3Å; D280-V284 WeakPolarHBondContact O-CB 3.5Å; D280-V284 WeakPolarHBondContact O-CG2 3.5Å; D280-V284 PolarHBondContact O-N 3.34Å; Y281-V284 PolarHBondContact O-N 3.49Å; E282-V284 PolarHBondContact O-N 2.95Å; V284-M287 PolarHBondContact O-N 3.21Å; V284-R288 WeakPolarHBondContact O-CB 3.36Å; V284-R288 WeakPolarHBondContact O-CG 3.35Å; V284-R288 PolarHBondContact O-N 2.97Å
285V58.7Low51.9Low75 Ų75117.8 Ų117.846%0.45557%0.567SS.*Hα-helixtrans-68-43.9176.7171.30000110.6Y281 E282 M287 R288 M289Y281-V285 WeakPolarHBondContact O-CB 3.45Å; Y281-V285 WeakPolarHBondContact O-CG2 3.49Å; Y281-V285 PolarHBondContact O-N 2.93Å; E282-V285 PolarHBondContact O-N 2.89Å; V285-M287 PolarHBondContact O-N 2.88Å; V285-R288 PolarHBondContact O-N 2.94Å; V285-M289 WeakPolarHBondContact O-CG 3.27Å; V285-M289 PolarHBondContact O-N 3.16Å
286M54.1Low53.4Low131 Ų131119.3 Ų119.365%0.64557%0.571SS**Hα-helixtrans-65.1-38.2175.6-71-70.1-82.200112E282 M289 R290E282-M286 WeakPolarHBondContact O-CB 3.35Å; E282-M286 WeakPolarHBondContact O-CG 3.28Å; E282-M286 PolarHBondContact O-N 2.95Å; M286-M289 PolarHBondContact O-N 3.43Å; M286-R290 WeakPolarHBondContact O-CB 3.38Å; M286-R290 PolarHBondContact O-N 3.44Å
287M57.6Low55.2Low115 Ų115124.3 Ų124.357%0.56758%0.576SS**Hα-helixtrans-64.3-42.1173.6-172.8177.9-175.100111.4T283 V284 V285 R290 Q291T283-M287 WeakPolarHBondContact O-CB 3.48Å; T283-M287 PolarHBondContact O-N 2.96Å; V284-M287 PolarHBondContact O-N 3.21Å; V285-M287 PolarHBondContact O-N 2.88Å; M287-R290 PolarHBondContact O-N 3.21Å; M287-Q291 WeakPolarHBondContact O-CG 3.42Å; M287-Q291 PolarHBondContact O-N 3.03Å
288R54.3Low56.4Low177 Ų177123.8 Ų123.867%0.66857%0.573SS**Hα-helixtrans-67.6-38.2175.5-78.1-179.3178.3178.61.2112.7V284 V285 Q291 A292V284-R288 WeakPolarHBondContact O-CB 3.36Å; V284-R288 WeakPolarHBondContact O-CG 3.35Å; V284-R288 PolarHBondContact O-N 2.97Å; V285-R288 PolarHBondContact O-N 2.94Å; R288-Q291 PolarHBondContact O-N 3.42Å; R288-A292 WeakPolarHBondContact O-CB 3.44Å; R288-A292 PolarHBondContact O-N 3.31Å
289M53.8Low57.9Low119 Ų119120.5 Ų120.559%0.58656%0.559SS**Hα-helixtrans-67.1-40.7174.7-78.1-166.4163.100112V285 M286 A292 A293V285-M289 WeakPolarHBondContact O-CG 3.27Å; V285-M289 PolarHBondContact O-N 3.16Å; M286-M289 PolarHBondContact O-N 3.43Å; M289-A292 PolarHBondContact O-N 2.94Å; M289-A293 WeakPolarHBondContact O-CB 3.37Å; M289-A293 PolarHBondContact O-N 3.22Å
290R59.8Low59.7Low198 Ų198116.7 Ų116.775%0.74755%0.55SS**Hα-helixtrans-60.7-46.2173.4-179.2-178.5-87.5-168.7-5.9111.3M286 M287 A292 A293 E294M286-R290 WeakPolarHBondContact O-CB 3.38Å; M286-R290 PolarHBondContact O-N 3.44Å; M287-R290 PolarHBondContact O-N 3.21Å; R290-A292 VanDerWaalsContact C-N 3.33Å; R290-A292 PolarHBondContact O-N 3.42Å; R290-A293 PolarHBondContact O-N 2.99Å; R290-E294 WeakPolarHBondContact O-CB 3.44Å; R290-E294 PolarHBondContact O-N 3.25Å
291Q51.8Low61.4Low105 Ų105119.5 Ų119.549%0.49156%0.561SS.*Hα-helixtrans-64.2-35.7177-75.9178.8-9.800112.9M287 R288 R295M287-Q291 WeakPolarHBondContact O-CG 3.42Å; M287-Q291 PolarHBondContact O-N 3.03Å; R288-Q291 PolarHBondContact O-N 3.42Å; Q291-R295 WeakPolarHBondContact O-CB 3.44Å; Q291-R295 PolarHBondContact O-N 3.03Å; Q291-R295 VanDerWaalsContact O-N 3.07Å
292A59.1Low62.7Low52 Ų52117.1 Ų117.143%0.4356%0.558SS.*Hα-helixtrans-68.7-42.7176.300000112.2R288 M289 R290 R295 Q296R288-A292 WeakPolarHBondContact O-CB 3.44Å; R288-A292 PolarHBondContact O-N 3.31Å; M289-A292 PolarHBondContact O-N 2.94Å; R290-A292 VanDerWaalsContact C-N 3.33Å; R290-A292 PolarHBondContact O-N 3.42Å; A292-R295 PolarHBondContact O-N 3.27Å; A292-Q296 PolarHBondContact O-N 2.93Å
293A70.7Confident63.5Low52 Ų52117.6 Ų117.643%0.4356%0.56SS.*Hα-helixtrans-66-38.5176.800000112.4M289 R290 Q296 R297M289-A293 WeakPolarHBondContact O-CB 3.37Å; M289-A293 PolarHBondContact O-N 3.22Å; R290-A293 PolarHBondContact O-N 2.99Å; A293-Q296 PolarHBondContact O-N 2.9Å; A293-R297 PolarHBondContact O-N 3.33Å
294E65.1Low65.1Low124 Ų124120.9 Ų120.958%0.57956%0.563SS**Hα-helixtrans-67.5-38.9176.4-162.3172.8-16200111.6R290 R297 L298R290-E294 WeakPolarHBondContact O-CB 3.44Å; R290-E294 PolarHBondContact O-N 3.25Å; E294-R297 PolarHBondContact O-N 3.46Å; E294-L298 PolarHBondContact O-N 3.26Å; E294-L298 VanDerWaalsContact O-N 3.11Å
295R60.9Low66Low190 Ų190123.9 Ų123.972%0.71757%0.573SS**Hα-helixtrans-63-41171-95.7-173.4166.6-164-4.4113Q291 A292 L298 I299Q291-R295 WeakPolarHBondContact O-CB 3.44Å; Q291-R295 PolarHBondContact O-N 3.03Å; Q291-R295 VanDerWaalsContact O-N 3.07Å; A292-R295 PolarHBondContact O-N 3.27Å; R295-L298 PolarHBondContact O-N 3.21Å; R295-I299 WeakPolarHBondContact O-CD1 3.32Å; R295-I299 WeakPolarHBondContact O-CG1 3.36Å; R295-I299 PolarHBondContact O-N 3.45Å
296Q69.5Low66.7Low138 Ų138124.9 Ų124.965%0.64558%0.576SS**Hα-helixtrans-63.9-41.9177.1-86.9176.9-29.800111.8A292 A293 L298 I299 E300A292-Q296 PolarHBondContact O-N 2.93Å; A293-Q296 PolarHBondContact O-N 2.9Å; Q296-L298 PolarHBondContact O-N 3.24Å; Q296-I299 PolarHBondContact O-N 3.44Å; Q296-E300 WeakPolarHBondContact O-CB 3.46Å; Q296-E300 PolarHBondContact O-N 2.94Å
297R80.9Confident67.6Low195 Ų195124.2 Ų124.274%0.73658%0.575SS**Hα-helixtrans-60-45.3174.5-90.8-169.8175-177.4-1.8113A293 E294 I299 E300 E301A293-R297 PolarHBondContact O-N 3.33Å; E294-R297 PolarHBondContact O-N 3.46Å; R297-I299 VanDerWaalsContact C-N 3.3Å; R297-I299 PolarHBondContact O-N 2.99Å; R297-E300 PolarHBondContact O-N 3.43Å; R297-E301 WeakPolarHBondContact O-CB 3.4Å; R297-E301 PolarHBondContact O-N 3.45Å
298L70.3Confident68.3Low101 Ų101124.3 Ų124.353%0.52957%0.574SS.*Hα-helixtrans-64.1-35.3178-80.7162.2000112.5E294 R295 Q296 M302E294-L298 PolarHBondContact O-N 3.26Å; E294-L298 VanDerWaalsContact O-N 3.11Å; R295-L298 PolarHBondContact O-N 3.21Å; Q296-L298 PolarHBondContact O-N 3.24Å; L298-M302 WeakPolarHBondContact O-CB 3.34Å; L298-M302 PolarHBondContact O-N 2.99Å
299I70Confident69Low93 Ų93122.3 Ų122.348%0.47757%0.572SS.*Hα-helixtrans-68.3-41.6175.3-69.1163.9000110.7R295 Q296 R297 Q303R295-I299 WeakPolarHBondContact O-CD1 3.32Å; R295-I299 WeakPolarHBondContact O-CG1 3.36Å; R295-I299 PolarHBondContact O-N 3.45Å; Q296-I299 PolarHBondContact O-N 3.44Å; R297-I299 VanDerWaalsContact C-N 3.3Å; R297-I299 PolarHBondContact O-N 2.99Å; I299-Q303 WeakPolarHBondContact O-CB 3.48Å; I299-Q303 VanDerWaalsContact O-CG 3.27Å; I299-Q303 WeakPolarHBondContact O-CG 3.5Å; I299-Q303 PolarHBondContact O-N 3.22Å
300E76.8Confident69.6Low118 Ų118120 Ų12055%0.55157%0.572SS**Hα-helixtrans-68.9-34.1178.3-165.7176.4-173.900112.1Q296 R297 R304Q296-E300 WeakPolarHBondContact O-CB 3.46Å; Q296-E300 PolarHBondContact O-N 2.94Å; R297-E300 PolarHBondContact O-N 3.43Å; E300-R304 WeakPolarHBondContact O-CB 3.28Å; E300-R304 PolarHBondContact O-N 3.39Å
301E78.6Confident69.9Low114 Ų114114.5 Ų114.553%0.53357%0.569SS.*Hα-helixtrans-69.2-46.9174.5-167.4168.1-156.200111.4R297 Q303 R304 E305R297-E301 WeakPolarHBondContact O-CB 3.4Å; R297-E301 PolarHBondContact O-N 3.45Å; E301-Q303 VanDerWaalsContact C-N 3.34Å; E301-Q303 PolarHBondContact O-N 2.67Å; E301-R304 PolarHBondContact O-N 3.49Å; E301-E305 WeakPolarHBondContact O-CG 3.3Å; E301-E305 PolarHBondContact O-N 3.36Å
302M71.2Confident70.3Confident116 Ų116118.2 Ų118.257%0.57159%0.586SS**Hα-helixtrans-59.3-42.3172.6-90.8-175.156.300112.7L298 R304 E305 D306L298-M302 WeakPolarHBondContact O-CB 3.34Å; L298-M302 PolarHBondContact O-N 2.99Å; M302-R304 VanDerWaalsContact C-N 3.29Å; M302-R304 PolarHBondContact O-N 3.26Å; M302-E305 PolarHBondContact O-N 2.97Å; M302-D306 WeakPolarHBondContact O-CB 3.43Å; M302-D306 PolarHBondContact O-N 2.96Å
303Q69.9Low69.8Low114 Ų114123 Ų12353%0.53362%0.616SS.*Hα-helixtrans-64.9-36.1178.2-78176.9-20.800111.9I299 E301 D307I299-Q303 WeakPolarHBondContact O-CB 3.48Å; I299-Q303 VanDerWaalsContact O-CG 3.27Å; I299-Q303 WeakPolarHBondContact O-CG 3.5Å; I299-Q303 PolarHBondContact O-N 3.22Å; E301-Q303 VanDerWaalsContact C-N 3.34Å; E301-Q303 PolarHBondContact O-N 2.67Å; Q303-D307 WeakPolarHBondContact O-CB 3.39Å; Q303-D307 PolarHBondContact O-N 3.05Å
304R79.4Confident69.8Low157 Ų157126.6 Ų126.659%0.59263%0.626SS**Hα-helixtrans-70.3-39.8176-172.5-179.8-74.6171.5-1.8111.9E300 E301 M302 D307 E308E300-R304 WeakPolarHBondContact O-CB 3.28Å; E300-R304 PolarHBondContact O-N 3.39Å; E301-R304 PolarHBondContact O-N 3.49Å; M302-R304 VanDerWaalsContact C-N 3.29Å; M302-R304 PolarHBondContact O-N 3.26Å; R304-D307 PolarHBondContact O-N 2.92Å; R304-E308 WeakPolarHBondContact O-CB 3.42Å; R304-E308 WeakPolarHBondContact O-CG 3.46Å; R304-E308 PolarHBondContact O-N 2.91Å
305E73.7Confident70Confident118 Ų118126.7 Ų126.755%0.55163%0.628SS**Hα-helixtrans-64.4-43.9174.8-72.8-179.3159.400111.5E301 M302 D307 E308 E309E301-E305 WeakPolarHBondContact O-CG 3.3Å; E301-E305 PolarHBondContact O-N 3.36Å; M302-E305 PolarHBondContact O-N 2.97Å; E305-D307 VanDerWaalsContact C-N 3.33Å; E305-D307 PolarHBondContact O-N 3.37Å; E305-E308 PolarHBondContact O-N 3.37Å; E305-E309 WeakPolarHBondContact O-CB 3.42Å; E305-E309 PolarHBondContact O-N 3.49Å
306D72.6Confident70.5Confident95 Ų95123.2 Ų123.251%0.50862%0.623SS.*Hα-helixtrans-62.1-38.7175-77.4-16.5000111.8M302 A310M302-D306 WeakPolarHBondContact O-CB 3.43Å; M302-D306 PolarHBondContact O-N 2.96Å; D306-A310 VanDerWaalsContact O-CB 3.28Å; D306-A310 WeakPolarHBondContact O-CB 3.38Å; D306-A310 PolarHBondContact O-N 3.47Å; D306-A310 VanDerWaalsContact O-N 3.08Å
307D73.1Confident70.6Confident118 Ų118122.3 Ų122.363%0.63162%0.622SS**Hα-helixtrans-71.3-33.4177.2-76.6-22.1000112.6Q303 R304 E305 A311Q303-D307 WeakPolarHBondContact O-CB 3.39Å; Q303-D307 PolarHBondContact O-N 3.05Å; R304-D307 PolarHBondContact O-N 2.92Å; E305-D307 VanDerWaalsContact C-N 3.33Å; E305-D307 PolarHBondContact O-N 3.37Å; D307-A311 WeakPolarHBondContact O-CB 3.36Å; D307-A311 PolarHBondContact O-N 3.45Å
308E73.4Confident69.9Low117 Ų117117.8 Ų117.855%0.54762%0.615SS.*Hα-helixtrans-73.7-40.8175-76.8176.8-17500111.6R304 E305 A310 A311 E312R304-E308 WeakPolarHBondContact O-CB 3.42Å; R304-E308 WeakPolarHBondContact O-CG 3.46Å; R304-E308 PolarHBondContact O-N 2.91Å; E305-E308 PolarHBondContact O-N 3.37Å; E308-A310 VanDerWaalsContact C-N 3.32Å; E308-A310 PolarHBondContact O-N 2.78Å; E308-A311 PolarHBondContact O-N 3.49Å; E308-A311 VanDerWaalsContact O-N 3.11Å; E308-E312 PolarHBondContact O-N 2.98Å; E308-E312 VanDerWaalsContact O-N 3.16Å
309E68.4Low69.9Low135 Ų135118.9 Ų118.963%0.63162%0.621SS**Hα-helixtrans-68.2-31.8177.1-152.3176.7-15900111.9E305 A311 S313E305-E309 WeakPolarHBondContact O-CB 3.42Å; E305-E309 PolarHBondContact O-N 3.49Å; E309-A311 VanDerWaalsContact C-N 3.34Å; E309-S313 PolarHBondContact O-OG 3.18Å
310A66.2Low69.9Low70 Ų70120.7 Ų120.758%0.57963%0.631SS**Hα-helixtrans-73.3-21.1171.400000113.9D306 E308D306-A310 VanDerWaalsContact O-CB 3.28Å; D306-A310 WeakPolarHBondContact O-CB 3.38Å; D306-A310 PolarHBondContact O-N 3.47Å; D306-A310 VanDerWaalsContact O-N 3.08Å; E308-A310 VanDerWaalsContact C-N 3.32Å; E308-A310 PolarHBondContact O-N 2.78Å
311A66.4Low69.4Low83 Ų83120.9 Ų120.969%0.68664%0.637SS**Hα-helixtrans-89.1-21.3177.600000113.4D307 E308 E309D307-A311 WeakPolarHBondContact O-CB 3.36Å; D307-A311 PolarHBondContact O-N 3.45Å; E308-A311 PolarHBondContact O-N 3.49Å; E308-A311 VanDerWaalsContact O-N 3.11Å; E309-A311 VanDerWaalsContact C-N 3.34Å
312E59.4Low68.6Low182 Ų182121.5 Ų121.585%0.8565%0.646SS**  trans-91.3-6.4175.4-69.7-169.815800114.2E308E308-E312 PolarHBondContact O-N 2.98Å; E308-E312 VanDerWaalsContact O-N 3.16Å
313S49.3Very low68.4Low153 Ų153122 Ų122100%1.0765%0.653SS**  trans-94.90176-61.30000113.2E309E309-S313 PolarHBondContact O-OG 3.18Å

Retrieved 313 of 313 residues in 215.9 ms (Link to these results)

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