A0A077Z560_TRITR Loading...

5 nucleotid domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z560, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 519 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
1M35Very low30.5Very low215 Ų215149.1 Ų149.1100%1.05971%0.708SS**  0114.60-83.3174.1170.700108.9F3M1-F3 HydrophobicContact CB-CD2 4.43Å; M1-F3 HydrophobicContact CB-CE2 4.18Å; M1-F3 WeakPolarHBondContact O-CD2 3.43Å; M1-F3 PolarHBondContact O-N 2.9Å; M1-F3 VanDerWaalsContact O-N 3.11Å
2K27.8Very low30.9Very low219 Ų219145.3 Ų145.395%0.95270%0.701SS**  trans-68.3101.7175.4-76.1-179.3175.3178.20108.7
3F29.4Very low30.9Very low166 Ų166143.3 Ų143.373%0.72869%0.687SS**  trans-75.7124.7-177.5-88.5-88.1000112M1 F5M1-F3 HydrophobicContact CB-CD2 4.43Å; M1-F3 HydrophobicContact CB-CE2 4.18Å; M1-F3 WeakPolarHBondContact O-CD2 3.43Å; M1-F3 PolarHBondContact O-N 2.9Å; M1-F3 VanDerWaalsContact O-N 3.11Å; F3-F5 HydrophobicContact CB-CD2 4.24Å; F3-F5 PolarHBondContact O-N 3.45Å
4G34.8Very low31.7Very low55 Ų55142.8 Ų142.857%0.56768%0.68SS**  trans-73.544-17800000116.3G6 S7G4-G6 PolarHBondContact O-N 3.11Å; G4-S7 PolarHBondContact O-N 3.37Å; G4-S7 PolarHBondContact O-OG 2.89Å; G4-S7 VanDerWaalsContact O-OG 3.1Å
5F29.4Very low32.9Very low150 Ų150135.3 Ų135.366%0.65866%0.656SS**Hα-helixtrans-57-33.4-179.9-106.4-94.7000113.5F3 S7 R8 F9F3-F5 HydrophobicContact CB-CD2 4.24Å; F3-F5 PolarHBondContact O-N 3.45Å; F5-S7 VanDerWaalsContact C-N 3.34Å; F5-S7 PolarHBondContact O-N 3.27Å; F5-R8 PolarHBondContact O-N 2.82Å; F5-F9 PolarHBondContact O-N 2.81Å
6G24.4Very low33.5Very low51 Ų51135.4 Ų135.453%0.52665%0.649SS.*Hα-helixtrans-66.5-27.5-178.100000115.2G4 R10G4-G6 PolarHBondContact O-N 3.11Å; G6-R10 PolarHBondContact O-N 2.75Å
7S33.4Very low34.3Very low79 Ų79137.4 Ų137.455%0.55265%0.65SS**Hα-helixtrans-77.4-34.4-179.172.70000112.7G4 F5 R11G4-S7 PolarHBondContact O-N 3.37Å; G4-S7 PolarHBondContact O-OG 2.89Å; G4-S7 VanDerWaalsContact O-OG 3.1Å; F5-S7 VanDerWaalsContact C-N 3.34Å; F5-S7 PolarHBondContact O-N 3.27Å; S7-R11 PolarHBondContact O-N 3.25Å
8R30.3Very low35.5Very low188 Ų188134.4 Ų134.471%0.70964%0.638SS**Hα-helixtrans-72.5-43.4-179.4-127.4-179.4-171.2-172.92.7111F5 R11 V12F5-R8 PolarHBondContact O-N 2.82Å; R8-R11 PolarHBondContact O-N 2.58Å; R8-V12 WeakPolarHBondContact O-CG2 3.26Å; R8-V12 PolarHBondContact O-N 2.89Å
9F28.3Very low36.6Very low131 Ų131130.4 Ų130.458%0.57562%0.619SS**Hα-helixtrans-61.9-48.3177.3-114.3-100.5000112.1F5 R11 V12 F13F5-F9 PolarHBondContact O-N 2.81Å; F9-R11 VanDerWaalsContact C-N 3.28Å; F9-R11 PolarHBondContact O-N 3.22Å; F9-V12 PolarHBondContact O-N 3.32Å; F9-F13 HydrophobicContact CD1-CD2 4.08Å; F9-F13 AromaticContact CD1-CE2 3.6Å; F9-F13 HydrophobicContact CD1-CE2 3.6Å; F9-F13 AromaticContact CE1-CE2 3.81Å; F9-F13 HydrophobicContact CE1-CE2 3.81Å; F9-F13 WeakPolarHBondContact O-CD2 3.5Å; F9-F13 PolarHBondContact O-N 2.78Å; F9-F13 VanDerWaalsContact O-N 3.11Å
10R29.9Very low37.4Very low209 Ų209128.1 Ų128.179%0.78961%0.61SS**Hα-helixtrans-60.8-34.3177.3-75.6-173.9-173.7-1722.2113.3G6 K14G6-R10 PolarHBondContact O-N 2.75Å; R10-K14 WeakPolarHBondContact O-CB 3.2Å; R10-K14 PolarHBondContact O-N 3.32Å
11R33.2Very low38.4Very low177 Ų177130.3 Ų130.367%0.66861%0.613SS**Hα-helixtrans-68-38.9177.1-122.8-177.8-117177.3-3.2112.5S7 R8 F9 G15S7-R11 PolarHBondContact O-N 3.25Å; R8-R11 PolarHBondContact O-N 2.58Å; F9-R11 VanDerWaalsContact C-N 3.28Å; F9-R11 PolarHBondContact O-N 3.22Å; R11-G15 PolarHBondContact O-N 2.78Å
12V35.2Very low39.6Very low104 Ų104121.2 Ų121.263%0.6357%0.57SS**Hα-helixtrans-65.5-47.4176.6174.10000110.4R8 F9 G15 Y16R8-V12 WeakPolarHBondContact O-CG2 3.26Å; R8-V12 PolarHBondContact O-N 2.89Å; F9-V12 PolarHBondContact O-N 3.32Å; V12-G15 PolarHBondContact O-N 3Å; V12-Y16 PolarHBondContact O-N 2.98Å; V12-Y16 VanDerWaalsContact O-N 3.07Å
13F30.7Very low41.1Very low119 Ų119112.1 Ų112.152%0.52253%0.532SS..Hα-helixtrans-66-41.6178.4-83.2-79.2000113.2F9 G15 Y16 Y17F9-F13 HydrophobicContact CD1-CD2 4.08Å; F9-F13 AromaticContact CD1-CE2 3.6Å; F9-F13 HydrophobicContact CD1-CE2 3.6Å; F9-F13 AromaticContact CE1-CE2 3.81Å; F9-F13 HydrophobicContact CE1-CE2 3.81Å; F9-F13 WeakPolarHBondContact O-CD2 3.5Å; F9-F13 PolarHBondContact O-N 2.78Å; F9-F13 VanDerWaalsContact O-N 3.11Å; F13-G15 PolarHBondContact O-N 3.3Å; F13-Y16 WeakPolarHBondContact O-CB 3.35Å; F13-Y16 PolarHBondContact O-N 3.34Å; F13-Y17 WeakPolarHBondContact O-CD2 3.32Å; F13-Y17 PolarHBondContact O-N 2.79Å; F13-Y17 VanDerWaalsContact O-N 3.17Å
14K41.2Very low42.5Very low136 Ų136107.2 Ų107.259%0.59152%0.521SS*.Hα-helixtrans-63.4-41.8175.8-169.9174.5-179.7179.80111.8R10 Y16 Y17 D18R10-K14 WeakPolarHBondContact O-CB 3.2Å; R10-K14 PolarHBondContact O-N 3.32Å; K14-Y16 VanDerWaalsContact C-N 3.27Å; K14-Y16 PolarHBondContact O-N 2.97Å; K14-Y17 PolarHBondContact O-N 3.34Å; K14-D18 PolarHBondContact O-N 2.88Å; K14-D18 VanDerWaalsContact O-N 3.08Å
15G50Low43.9Very low31 Ų31108.7 Ų108.732%0.3251%0.514SS..Hα-helixtrans-59.9-35.9174.200000113.2R11 V12 F13 Q19R11-G15 PolarHBondContact O-N 2.78Å; V12-G15 PolarHBondContact O-N 3Å; F13-G15 PolarHBondContact O-N 3.3Å; G15-Q19 VanDerWaalsContact O-CB 3.27Å; G15-Q19 WeakPolarHBondContact O-CB 3.19Å; G15-Q19 WeakPolarHBondContact O-CG 3.49Å; G15-Q19 PolarHBondContact O-N 3.36Å; G15-Q19 PolarHBondContact O-OE1 2.85Å
16Y43Very low45.8Very low136 Ų136101.7 Ų101.753%0.53348%0.483SS..Hα-helixtrans-68.8-40.8177.6-161.3-99000112.8V12 F13 K14 Q19 L20V12-Y16 PolarHBondContact O-N 2.98Å; V12-Y16 VanDerWaalsContact O-N 3.07Å; F13-Y16 WeakPolarHBondContact O-CB 3.35Å; F13-Y16 PolarHBondContact O-N 3.34Å; K14-Y16 VanDerWaalsContact C-N 3.27Å; K14-Y16 PolarHBondContact O-N 2.97Å; Y16-Q19 WeakPolarHBondContact O-CB 3.23Å; Y16-Q19 PolarHBondContact O-N 3.1Å; Y16-L20 HydrophobicContact CD1-CD1 3.83Å; Y16-L20 HydrophobicContact CD1-CG 4.38Å; Y16-L20 HydrophobicContact CE1-CD1 3.72Å; Y16-L20 HydrophobicContact CE1-CG 4.26Å; Y16-L20 WeakPolarHBondContact O-CG 3.46Å; Y16-L20 PolarHBondContact O-N 3.28Å
17Y47.2Very low47.7Very low169 Ų169102.2 Ų102.266%0.66347%0.474SS*.Hα-helixtrans-66.7-43.3175.3-88.2-82.3000112.8F13 K14 Q19 L20 R21F13-Y17 WeakPolarHBondContact O-CD2 3.32Å; F13-Y17 PolarHBondContact O-N 2.79Å; F13-Y17 VanDerWaalsContact O-N 3.17Å; K14-Y17 PolarHBondContact O-N 3.34Å; Y17-Q19 VanDerWaalsContact C-N 3.26Å; Y17-Q19 PolarHBondContact O-N 3.45Å; Y17-L20 PolarHBondContact O-N 2.79Å; Y17-R21 PolarHBondContact O-N 3.35Å; Y17-R21 VanDerWaalsContact O-N 3.14Å
18D55.3Low49.3Very low84 Ų84101.6 Ų101.645%0.44947%0.473SS..Hα-helixtrans-64-35.3176.3-68.3-27.7000111K14 C22K14-D18 PolarHBondContact O-N 2.88Å; K14-D18 VanDerWaalsContact O-N 3.08Å; D18-C22 WeakPolarHBondContact O-CB 3.18Å; D18-C22 PolarHBondContact O-N 2.84Å; D18-C22 VanDerWaalsContact O-N 3.12Å
19Q56.9Low50.9Low59 Ų5997.1 Ų97.128%0.27646%0.46SS..Hα-helixtrans-63.8-46.6173.4-84.6176.5-31.600113.1G15 Y16 Y17 R21 C22 L23 L517G15-Q19 VanDerWaalsContact O-CB 3.27Å; G15-Q19 WeakPolarHBondContact O-CB 3.19Å; G15-Q19 WeakPolarHBondContact O-CG 3.49Å; G15-Q19 PolarHBondContact O-N 3.36Å; G15-Q19 PolarHBondContact O-OE1 2.85Å; Y16-Q19 WeakPolarHBondContact O-CB 3.23Å; Y16-Q19 PolarHBondContact O-N 3.1Å; Y17-Q19 VanDerWaalsContact C-N 3.26Å; Y17-Q19 PolarHBondContact O-N 3.45Å; Q19-R21 VanDerWaalsContact C-N 3.34Å; Q19-R21 PolarHBondContact O-N 2.63Å; Q19-C22 PolarHBondContact O-N 3.27Å; Q19-L23 WeakPolarHBondContact O-CG 3.15Å; Q19-L23 PolarHBondContact O-N 2.63Å; Q19-L517 HydrophobicContact CB-CD2 3.85Å; Q19-L517 HydrophobicContact CG-CD1 4.4Å; Q19-L517 HydrophobicContact CG-CD2 3.94Å
20L51.8Low52.6Low84 Ų8490.9 Ų90.944%0.4443%0.433SS..Hα-helixtrans-63.8-37.2178.3-74169.7000112.9Y16 Y17 L23 A24Y16-L20 HydrophobicContact CD1-CD1 3.83Å; Y16-L20 HydrophobicContact CD1-CG 4.38Å; Y16-L20 HydrophobicContact CE1-CD1 3.72Å; Y16-L20 HydrophobicContact CE1-CG 4.26Å; Y16-L20 WeakPolarHBondContact O-CG 3.46Å; Y16-L20 PolarHBondContact O-N 3.28Å; Y17-L20 PolarHBondContact O-N 2.79Å; L20-L23 HydrophobicContact CD2-CD1 4.5Å; L20-L23 WeakPolarHBondContact O-CB 3.4Å; L20-L23 PolarHBondContact O-N 2.71Å; L20-A24 PolarHBondContact O-N 2.78Å
21R58.8Low54.5Low175 Ų17585.2 Ų85.266%0.6642%0.418SS*.Hα-helixtrans-68.1-41.6176.4-173.3-179.7179.6-178.21.4111.8Y17 Q19 L23 A24 Q25Y17-R21 PolarHBondContact O-N 3.35Å; Y17-R21 VanDerWaalsContact O-N 3.14Å; Q19-R21 VanDerWaalsContact C-N 3.34Å; Q19-R21 PolarHBondContact O-N 2.63Å; R21-L23 VanDerWaalsContact C-N 3.28Å; R21-L23 PolarHBondContact O-N 3.01Å; R21-A24 PolarHBondContact O-N 3.21Å; R21-Q25 WeakPolarHBondContact O-CG 3.42Å; R21-Q25 PolarHBondContact O-N 2.7Å
22C60.2Low56.2Low24 Ų2478.2 Ų78.216%0.16240%0.401CS..Hα-helixtrans-62-39.2175.8-175.90000111.7D18 Q19 Q25 F26 T51D18-C22 WeakPolarHBondContact O-CB 3.18Å; D18-C22 PolarHBondContact O-N 2.84Å; D18-C22 VanDerWaalsContact O-N 3.12Å; Q19-C22 PolarHBondContact O-N 3.27Å; C22-Q25 PolarHBondContact O-N 3.13Å; C22-F26 WeakPolarHBondContact O-CB 3.47Å; C22-F26 PolarHBondContact O-N 2.86Å; C22-T51 WeakPolarHBondContact SG-CG2 3.41Å
23L59.4Low57.6Low28 Ų2881.5 Ų81.515%0.14742%0.415CS..Hα-helixtrans-58.5-53.3175.4-85.8169.3000112.3Q19 L20 R21 Q25 F26 D27 N516 L517Q19-L23 WeakPolarHBondContact O-CG 3.15Å; Q19-L23 PolarHBondContact O-N 2.63Å; L20-L23 HydrophobicContact CD2-CD1 4.5Å; L20-L23 WeakPolarHBondContact O-CB 3.4Å; L20-L23 PolarHBondContact O-N 2.71Å; R21-L23 VanDerWaalsContact C-N 3.28Å; R21-L23 PolarHBondContact O-N 3.01Å; L23-Q25 PolarHBondContact O-N 3.43Å; L23-F26 WeakPolarHBondContact O-CB 3.22Å; L23-F26 PolarHBondContact O-N 3.2Å; L23-F26 VanDerWaalsContact O-N 3.07Å; L23-D27 PolarHBondContact O-N 3.35Å; L23-N516 VanDerWaalsContact CD2-O 3.25Å; L23-N516 WeakPolarHBondContact CD2-O 3.04Å; L23-L517 HydrophobicContact CD1-CD2 3.61Å; L23-L517 HydrophobicContact CD1-CG 4.09Å; L23-L517 VanDerWaalsContact CD2-C 3.43Å; L23-L517 VanDerWaalsContact CD2-CA 3.4Å; L23-L517 HydrophobicContact CD2-CB 4.49Å; L23-L517 HydrophobicContact CD2-CD2 4.2Å; L23-L517 HydrophobicContact CG-CD2 3.69Å; L23-L517 HydrophobicContact CG-CG 4.44Å
24A59.8Low59.5Low62 Ų6281.6 Ų81.651%0.51242%0.421SS..Hα-helixtrans-60.1-34.7179.200000112.9L20 R21 A28L20-A24 PolarHBondContact O-N 2.78Å; R21-A24 PolarHBondContact O-N 3.21Å; A24-A28 WeakPolarHBondContact O-CB 3.21Å; A24-A28 PolarHBondContact O-N 3.29Å; A24-A28 VanDerWaalsContact O-N 3.14Å
25Q64.3Low61Low86 Ų8679.2 Ų79.240%0.40241%0.408SS..Hα-helixtrans-72-38.4175.6-72.9179.7-2900112.4R21 C22 L23 A28 H29 F47R21-Q25 WeakPolarHBondContact O-CG 3.42Å; R21-Q25 PolarHBondContact O-N 2.7Å; C22-Q25 PolarHBondContact O-N 3.13Å; L23-Q25 PolarHBondContact O-N 3.43Å; Q25-A28 PolarHBondContact O-N 3.39Å; Q25-H29 PolarHBondContact O-N 3.14Å; Q25-H29 VanDerWaalsContact O-N 3.13Å; Q25-F47 HydrophobicContact CB-CE2 3.86Å; Q25-F47 HydrophobicContact CB-CZ 3.54Å
26F68Low62.3Low3 Ų378.8 Ų78.81%0.01340%0.399CS..Hα-helixtrans-63.3-50.2174-178.4-109.8000111.1C22 L23 A28 H29 A30 L44 F47 M48 L419 V519C22-F26 WeakPolarHBondContact O-CB 3.47Å; C22-F26 PolarHBondContact O-N 2.86Å; L23-F26 WeakPolarHBondContact O-CB 3.22Å; L23-F26 PolarHBondContact O-N 3.2Å; L23-F26 VanDerWaalsContact O-N 3.07Å; F26-A28 VanDerWaalsContact C-N 3.25Å; F26-A28 PolarHBondContact O-N 3.37Å; F26-H29 PolarHBondContact O-N 3.04Å; F26-H29 VanDerWaalsContact O-N 3.08Å; F26-A30 HydrophobicContact CE1-CB 4.36Å; F26-A30 HydrophobicContact CZ-CB 4.35Å; F26-A30 VanDerWaalsContact O-CB 3.25Å; F26-A30 WeakPolarHBondContact O-CB 3.28Å; F26-A30 PolarHBondContact O-N 3.23Å; F26-L44 HydrophobicContact CD2-CD2 4.25Å; F26-L44 HydrophobicContact CE2-CD2 4.01Å; F26-F47 HydrophobicContact CB-CE1 3.88Å; F26-F47 HydrophobicContact CD2-CD1 4.18Å; F26-F47 HydrophobicContact CD2-CE1 4.2Å; F26-M48 HydrophobicContact CD2-CG 3.92Å; F26-M48 HydrophobicContact CD2-SD 3.24Å; F26-M48 WeakPolarHBondContact CD2-SD 3.11Å; F26-M48 HydrophobicContact CE2-CG 3.65Å; F26-M48 HydrophobicContact CE2-SD 3.45Å; F26-M48 WeakPolarHBondContact CE2-SD 3.28Å; F26-M48 HydrophobicContact CG-SD 4.1Å; F26-M48 HydrophobicContact CZ-SD 4.42Å; F26-L419 HydrophobicContact CE2-CD2 3.87Å; F26-L419 HydrophobicContact CZ-CD2 3.96Å; F26-V519 WeakPolarHBondContact CD1-O 3.19Å; F26-V519 WeakPolarHBondContact CE1-O 3.38Å
27D65.4Low64.3Low63 Ų6374 Ų7434%0.33739%0.385SS..Hα-helixtrans-55-41.4176.2-82.8-44.8000112L23 A30 N31L23-D27 PolarHBondContact O-N 3.35Å; D27-A30 PolarHBondContact O-N 3.23Å; D27-N31 VanDerWaalsContact O-CB 3.26Å; D27-N31 WeakPolarHBondContact O-CB 3.4Å; D27-N31 PolarHBondContact O-N 2.87Å; D27-N31 PolarHBondContact O-ND2 3.33Å
28A65.8Low66.3Low66 Ų6668.4 Ų68.455%0.54537%0.368SS..Hα-helixtrans-65.7-39.9177.800000112.6A24 Q25 F26A24-A28 WeakPolarHBondContact O-CB 3.21Å; A24-A28 PolarHBondContact O-N 3.29Å; A24-A28 VanDerWaalsContact O-N 3.14Å; Q25-A28 PolarHBondContact O-N 3.39Å; F26-A28 VanDerWaalsContact C-N 3.25Å; F26-A28 PolarHBondContact O-N 3.37Å
29H64.9Low67.9Low94 Ų9467.8 Ų67.844%0.43537%0.37SS..Hα-helixtrans-72.8-38.7175.3-77.717000111.9Q25 F26 N31 L44Q25-H29 PolarHBondContact O-N 3.14Å; Q25-H29 VanDerWaalsContact O-N 3.13Å; F26-H29 PolarHBondContact O-N 3.04Å; F26-H29 VanDerWaalsContact O-N 3.08Å; H29-N31 VanDerWaalsContact C-N 3.35Å; H29-L44 HydrophobicContact CB-CD2 3.57Å; H29-L44 HydrophobicContact CB-CG 4.49Å
30A64.5Low69.3Low0 Ų065.4 Ų65.40%036%0.362CS..Hα-helixtrans-85.6-9.4-171.800000113.7F26 D27 R35 L44F26-A30 HydrophobicContact CE1-CB 4.36Å; F26-A30 HydrophobicContact CZ-CB 4.35Å; F26-A30 VanDerWaalsContact O-CB 3.25Å; F26-A30 WeakPolarHBondContact O-CB 3.28Å; F26-A30 PolarHBondContact O-N 3.23Å; D27-A30 PolarHBondContact O-N 3.23Å; A30-R35 WeakPolarHBondContact O-CD 3.15Å; A30-R35 PolarHBondContact O-NH1 3.17Å; A30-L44 HydrophobicContact CB-CD1 4.33Å; A30-L44 HydrophobicContact CB-CD2 3.72Å
31N68.6Low71.1Confident90 Ų9061.4 Ų61.448%0.48134%0.341SS..THydrogen-bonded Turntrans-112.410.1171.5-62.2-51.3000113.1D27 H29 R35D27-N31 VanDerWaalsContact O-CB 3.26Å; D27-N31 WeakPolarHBondContact O-CB 3.4Å; D27-N31 PolarHBondContact O-N 2.87Å; D27-N31 PolarHBondContact O-ND2 3.33Å; H29-N31 VanDerWaalsContact C-N 3.35Å; N31-R35 PolarHBondContact OD1-NH1 3.05Å
32G69.3Low72.8Confident29 Ų2956.8 Ų56.830%0.29932%0.324SS..SBendtrans-72155174.400000113.2N34 R35G32-N34 PolarHBondContact O-N 2.95Å; G32-R35 WeakPolarHBondContact O-CB 3.36Å; G32-R35 WeakPolarHBondContact O-CG 3.29Å; G32-R35 PolarHBondContact O-N 3.47Å
33D63.8Low74.2Confident174 Ų17458.6 Ų58.693%0.9333%0.331SS*.THydrogen-bonded Turntrans-56.2-22.3-173.3-71.2-26.2000114.8
34N70.7Confident75.6Confident121 Ų12157.3 Ų57.365%0.64733%0.325SS*.THydrogen-bonded Turntrans-106.613.4-178.5-80.2-20000114.5G32 N36 S37 G40G32-N34 PolarHBondContact O-N 2.95Å; N34-N36 PolarHBondContact O-N 3.44Å; N34-S37 WeakPolarHBondContact O-CB 3.45Å; N34-S37 PolarHBondContact O-N 2.82Å; N34-S37 PolarHBondContact O-OG 2.72Å; N34-G40 WeakPolarHBondContact O-CA 3.19Å
35R73.3Confident77.1Confident86 Ų8655.5 Ų55.533%0.32531%0.305SS..THydrogen-bonded Turntrans-54.9-31.1-172.263.4173.9-170.9-1680.1115.2A30 N31 G32A30-R35 WeakPolarHBondContact O-CD 3.15Å; A30-R35 PolarHBondContact O-NH1 3.17Å; N31-R35 PolarHBondContact OD1-NH1 3.05Å; G32-R35 WeakPolarHBondContact O-CB 3.36Å; G32-R35 WeakPolarHBondContact O-CG 3.29Å; G32-R35 PolarHBondContact O-N 3.47Å
36N77.9Confident78.5Confident22 Ų2258.3 Ų58.312%0.11831%0.312CS..THydrogen-bonded Turntrans-99.43.7-176-64.7-20.6000113N34 F423 D426 S428 S433N34-N36 PolarHBondContact O-N 3.44Å; N36-F423 WeakPolarHBondContact OD1-CD1 3.44Å; N36-F423 VanDerWaalsContact OD1-CE1 3.23Å; N36-F423 WeakPolarHBondContact OD1-CE1 3.44Å; N36-D426 PolarHBondContact ND2-OD2 2.94Å; N36-D426 PolarHBondContact OD1-OD2 3.13Å; N36-S428 PolarHBondContact ND2-OG 3.22Å; N36-S433 WeakPolarHBondContact O-CB 3.34Å; N36-S433 PolarHBondContact O-OG 2.95Å
37S84.3Confident79.5Confident34 Ų3459.8 Ų59.824%0.23832%0.318CS..SBendtrans-78.9156.9168.872.60000110.7N34 S39 G40 L41N34-S37 WeakPolarHBondContact O-CB 3.45Å; N34-S37 PolarHBondContact O-N 2.82Å; N34-S37 PolarHBondContact O-OG 2.72Å; S37-S39 PolarHBondContact O-N 3.4Å; S37-G40 PolarHBondContact O-N 3.2Å; S37-G40 VanDerWaalsContact O-N 3.08Å; S37-G40 PolarHBondContact OG-N 2.8Å; S37-G40 VanDerWaalsContact OG-N 3.1Å; S37-L41 WeakPolarHBondContact O-CG 3.38Å; S37-L41 PolarHBondContact O-N 3.11Å
38V88.2Confident80.5Confident52 Ų5257 Ų5732%0.31530%0.303SS..Hα-helixtrans-49.7-43.7173.3173.50000111.9W42 D432 S433 V436V38-W42 PolarHBondContact O-N 2.75Å; V38-D432 HydrophobicContact CG2-CB 3.5Å; V38-D432 VanDerWaalsContact CG2-CB 3.5Å; V38-S433 PolarHBondContact N-OG 2.84Å; V38-V436 HydrophobicContact CB-CG2 4.43Å; V38-V436 HydrophobicContact CG1-CG2 3.94Å; V38-V436 HydrophobicContact CG2-CG2 4.29Å
39S89.1Confident81.8Confident71 Ų7156.6 Ų56.650%0.49729%0.289SS..Hα-helixtrans-64.5-49.1178.5-170.40000111.4S37 L41 W42 D43S37-S39 PolarHBondContact O-N 3.4Å; S39-L41 VanDerWaalsContact C-N 3.32Å; S39-L41 PolarHBondContact O-N 2.82Å; S39-W42 PolarHBondContact O-N 2.79Å; S39-W42 VanDerWaalsContact O-N 3.16Å; S39-D43 WeakPolarHBondContact O-CB 3.47Å; S39-D43 PolarHBondContact O-N 2.9Å; S39-D43 PolarHBondContact OG-OD2 3.38Å
40G87.7Confident83Confident9 Ų955.5 Ų55.59%0.09329%0.289CS..Hα-helixtrans-60.5-41.2-178.200000112.6N34 S37 D43 L44N34-G40 WeakPolarHBondContact O-CA 3.19Å; S37-G40 PolarHBondContact O-N 3.2Å; S37-G40 VanDerWaalsContact O-N 3.08Å; S37-G40 PolarHBondContact OG-N 2.8Å; S37-G40 VanDerWaalsContact OG-N 3.1Å; G40-D43 PolarHBondContact O-N 3.03Å; G40-L44 WeakPolarHBondContact O-CG 3.37Å; G40-L44 PolarHBondContact O-N 2.77Å
41L89.8Confident84Confident0 Ų057.3 Ų57.30%030%0.3CS..Hα-helixtrans-60-51.3173.7-68.5177.1000111S37 S39 D43 L44 Y45 F423 V436 L437 W440S37-L41 WeakPolarHBondContact O-CG 3.38Å; S37-L41 PolarHBondContact O-N 3.11Å; S39-L41 VanDerWaalsContact C-N 3.32Å; S39-L41 PolarHBondContact O-N 2.82Å; L41-D43 VanDerWaalsContact C-N 3.29Å; L41-D43 PolarHBondContact O-N 2.74Å; L41-L44 WeakPolarHBondContact O-CB 3.03Å; L41-L44 PolarHBondContact O-N 3.48Å; L41-Y45 PolarHBondContact O-N 3.12Å; L41-F423 HydrophobicContact CD2-CB 4.42Å; L41-F423 HydrophobicContact CD2-CD1 3.93Å; L41-F423 HydrophobicContact CD2-CD2 4.14Å; L41-F423 HydrophobicContact CD2-CE1 4.2Å; L41-F423 HydrophobicContact CD2-CE2 4.42Å; L41-F423 HydrophobicContact CD2-CG 3.91Å; L41-F423 HydrophobicContact CD2-CZ 4.45Å; L41-V436 HydrophobicContact CB-CG1 3.92Å; L41-V436 HydrophobicContact CD1-CB 4.03Å; L41-V436 HydrophobicContact CD1-CG1 4.14Å; L41-L437 HydrophobicContact CD1-CD2 4.36Å; L41-L437 HydrophobicContact CD1-CG 4.45Å; L41-L437 HydrophobicContact CD2-CD2 4.42Å; L41-W440 HydrophobicContact CB-CH2 3.77Å; L41-W440 HydrophobicContact CB-CZ2 3.75Å; L41-W440 HydrophobicContact CD2-CH2 3.78Å; L41-W440 HydrophobicContact CD2-CZ3 4.23Å; L41-W440 HydrophobicContact CG-CH2 4.33Å; L41-W440 WeakPolarHBondContact O-CH2 3.24Å; L41-W440 WeakPolarHBondContact O-CZ2 3.4Å
42W93Very high84.9Confident79 Ų7953.3 Ų53.330%0.29928%0.279SS..Hα-helixtrans-64.7-30.4178.7-76.7118.5000113.7V38 S39 Y45 R46 V436 K439 W440V38-W42 PolarHBondContact O-N 2.75Å; S39-W42 PolarHBondContact O-N 2.79Å; S39-W42 VanDerWaalsContact O-N 3.16Å; W42-Y45 AromaticContact CE3-CD1 3.96Å; W42-Y45 HydrophobicContact CE3-CD1 3.96Å; W42-Y45 HydrophobicContact CE3-CD2 4.49Å; W42-Y45 AromaticContact CE3-CG 3.96Å; W42-Y45 HydrophobicContact CE3-CG 3.96Å; W42-Y45 HydrophobicContact CZ3-CD1 4.03Å; W42-Y45 HydrophobicContact CZ3-CD2 4.17Å; W42-Y45 HydrophobicContact CZ3-CE1 4.21Å; W42-Y45 HydrophobicContact CZ3-CE2 4.27Å; W42-Y45 HydrophobicContact CZ3-CG 4.04Å; W42-R46 WeakPolarHBondContact O-CB 3.48Å; W42-R46 VanDerWaalsContact O-CG 3.27Å; W42-R46 WeakPolarHBondContact O-CG 3.47Å; W42-R46 PolarHBondContact O-N 3.16Å; W42-R46 PolarHBondContact O-NE 2.98Å; W42-V436 HydrophobicContact CD2-CG1 4.27Å; W42-V436 HydrophobicContact CZ2-CG1 4.03Å; W42-K439 HydrophobicContact CZ2-CD 4.07Å; W42-W440 AromaticContact CH2-NE1 3.98Å; W42-W440 AromaticContact CZ3-NE1 3.71Å
43D89.9Confident85.6Confident61 Ų6156 Ų5633%0.32629%0.287SS..Hα-helixtrans-65.3-46.6173.4-68.4-28.7000111S39 G40 L41 R46 F47S39-D43 WeakPolarHBondContact O-CB 3.47Å; S39-D43 PolarHBondContact O-N 2.9Å; S39-D43 PolarHBondContact OG-OD2 3.38Å; G40-D43 PolarHBondContact O-N 3.03Å; L41-D43 VanDerWaalsContact C-N 3.29Å; L41-D43 PolarHBondContact O-N 2.74Å; D43-R46 PolarHBondContact O-N 3.32Å; D43-R46 IonicContact OD1-CZ 3.14Å; D43-R46 IonicContact OD1-NE 3.93Å; D43-R46 IonicContact OD1-NH2 3.97Å; D43-R46 PolarHBondContact OD1-NH2 3.29Å; D43-F47 WeakPolarHBondContact O-CB 3.27Å; D43-F47 PolarHBondContact O-N 3.05Å
44L88.9Confident86.6Confident1 Ų154.8 Ų54.81%0.00528%0.275CS..Hα-helixtrans-60-46.6174-75.3167.9000112.1F26 H29 A30 G40 L41 R46 F47 M48 F423F26-L44 HydrophobicContact CD2-CD2 4.25Å; F26-L44 HydrophobicContact CE2-CD2 4.01Å; H29-L44 HydrophobicContact CB-CD2 3.57Å; H29-L44 HydrophobicContact CB-CG 4.49Å; A30-L44 HydrophobicContact CB-CD1 4.33Å; A30-L44 HydrophobicContact CB-CD2 3.72Å; G40-L44 WeakPolarHBondContact O-CG 3.37Å; G40-L44 PolarHBondContact O-N 2.77Å; L41-L44 WeakPolarHBondContact O-CB 3.03Å; L41-L44 PolarHBondContact O-N 3.48Å; L44-R46 VanDerWaalsContact C-N 3.35Å; L44-R46 PolarHBondContact O-N 3.12Å; L44-F47 PolarHBondContact O-N 2.95Å; L44-M48 WeakPolarHBondContact O-CB 3.34Å; L44-M48 VanDerWaalsContact O-CG 3.29Å; L44-M48 WeakPolarHBondContact O-CG 3.19Å; L44-M48 PolarHBondContact O-N 3.32Å; L44-F423 HydrophobicContact CD1-CE1 4.49Å; L44-F423 HydrophobicContact CD1-CE2 3.81Å; L44-F423 HydrophobicContact CD1-CZ 3.5Å
45Y91.5Very high87.1Confident24 Ų2453.5 Ų53.59%0.09426%0.261CS..Hα-helixtrans-55.1-50.2175.1175.4-81.2000111.5L41 W42 M48 K49 W412 L416 W440 E443L41-Y45 PolarHBondContact O-N 3.12Å; W42-Y45 AromaticContact CE3-CD1 3.96Å; W42-Y45 HydrophobicContact CE3-CD1 3.96Å; W42-Y45 HydrophobicContact CE3-CD2 4.49Å; W42-Y45 AromaticContact CE3-CG 3.96Å; W42-Y45 HydrophobicContact CE3-CG 3.96Å; W42-Y45 HydrophobicContact CZ3-CD1 4.03Å; W42-Y45 HydrophobicContact CZ3-CD2 4.17Å; W42-Y45 HydrophobicContact CZ3-CE1 4.21Å; W42-Y45 HydrophobicContact CZ3-CE2 4.27Å; W42-Y45 HydrophobicContact CZ3-CG 4.04Å; Y45-M48 PolarHBondContact O-N 2.91Å; Y45-K49 HydrophobicContact CE1-CD 3.65Å; Y45-K49 VanDerWaalsContact O-CB 3.29Å; Y45-K49 WeakPolarHBondContact O-CB 3.39Å; Y45-K49 PolarHBondContact O-N 3.44Å; Y45-K49 PolarHBondContact OH-NZ 3.28Å; Y45-W412 HydrophobicContact CD2-CH2 4.02Å; Y45-W412 AromaticContact CD2-CZ2 3.95Å; Y45-W412 HydrophobicContact CD2-CZ2 3.95Å; Y45-W412 HydrophobicContact CE1-CZ2 4.46Å; Y45-W412 AromaticContact CE2-CH2 3.99Å; Y45-W412 HydrophobicContact CE2-CH2 3.99Å; Y45-W412 AromaticContact CE2-CZ2 3.45Å; Y45-W412 HydrophobicContact CE2-CZ2 3.45Å; Y45-W412 VanDerWaalsContact CE2-CZ2 3.45Å; Y45-W412 HydrophobicContact CG-CH2 4.47Å; Y45-W412 AromaticContact CZ-CZ2 3.72Å; Y45-L416 HydrophobicContact CD2-CD1 4.32Å; Y45-L416 HydrophobicContact CE2-CD1 4.29Å; Y45-W440 AromaticContact CD2-CD1 3.8Å; Y45-W440 HydrophobicContact CD2-CD2 4.44Å; Y45-W440 AromaticContact CD2-CE2 3.84Å; Y45-W440 HydrophobicContact CD2-CG 4.43Å; Y45-W440 HydrophobicContact CD2-CZ2 4.37Å; Y45-W440 AromaticContact CD2-NE1 3.4Å; Y45-W440 HydrophobicContact CG-CZ2 4.5Å; Y45-E443 WeakPolarHBondContact CE2-OE2 3.35Å; Y45-E443 VanDerWaalsContact CZ-OE2 3.27Å; Y45-E443 PolarHBondContact OH-OE1 3.04Å; Y45-E443 PolarHBondContact OH-OE2 3.42Å
46R93.1Very high87.4Confident145 Ų14556 Ų5655%0.54728%0.28SS..Hα-helixtrans-65.4-42.1-178.1-76.9-174.2-71.3173.2-9.2111.9W42 D43 L44 T50W42-R46 WeakPolarHBondContact O-CB 3.48Å; W42-R46 VanDerWaalsContact O-CG 3.27Å; W42-R46 WeakPolarHBondContact O-CG 3.47Å; W42-R46 PolarHBondContact O-N 3.16Å; W42-R46 PolarHBondContact O-NE 2.98Å; D43-R46 PolarHBondContact O-N 3.32Å; D43-R46 IonicContact OD1-CZ 3.14Å; D43-R46 IonicContact OD1-NE 3.93Å; D43-R46 IonicContact OD1-NH2 3.97Å; D43-R46 PolarHBondContact OD1-NH2 3.29Å; L44-R46 VanDerWaalsContact C-N 3.35Å; L44-R46 PolarHBondContact O-N 3.12Å; R46-T50 WeakPolarHBondContact O-CB 3.26Å; R46-T50 PolarHBondContact O-N 3.14Å; R46-T50 PolarHBondContact O-OG1 3.37Å
47F88.9Confident87.5Confident35 Ų3557.6 Ų57.615%0.15429%0.289CS..Hα-helixtrans-58.3-53.1174.8174.8-94.7000110.6Q25 F26 D43 L44 K49 T50 T51Q25-F47 HydrophobicContact CB-CE2 3.86Å; Q25-F47 HydrophobicContact CB-CZ 3.54Å; F26-F47 HydrophobicContact CB-CE1 3.88Å; F26-F47 HydrophobicContact CD2-CD1 4.18Å; F26-F47 HydrophobicContact CD2-CE1 4.2Å; D43-F47 WeakPolarHBondContact O-CB 3.27Å; D43-F47 PolarHBondContact O-N 3.05Å; L44-F47 PolarHBondContact O-N 2.95Å; F47-K49 PolarHBondContact O-N 3.17Å; F47-T50 PolarHBondContact O-N 2.98Å; F47-T51 PolarHBondContact O-N 3.32Å; F47-T51 PolarHBondContact O-OG1 2.74Å
48M88.1Confident87.4Confident3 Ų363.4 Ų63.42%0.01531%0.312CS..Hα-helixtrans-62.2-42-178.8-73.1-53.6-60.800112.8F26 L44 Y45 T51 V52 W412 A415 L419 Y518F26-M48 HydrophobicContact CD2-CG 3.92Å; F26-M48 HydrophobicContact CD2-SD 3.24Å; F26-M48 WeakPolarHBondContact CD2-SD 3.11Å; F26-M48 HydrophobicContact CE2-CG 3.65Å; F26-M48 HydrophobicContact CE2-SD 3.45Å; F26-M48 WeakPolarHBondContact CE2-SD 3.28Å; F26-M48 HydrophobicContact CG-SD 4.1Å; F26-M48 HydrophobicContact CZ-SD 4.42Å; L44-M48 WeakPolarHBondContact O-CB 3.34Å; L44-M48 VanDerWaalsContact O-CG 3.29Å; L44-M48 WeakPolarHBondContact O-CG 3.19Å; L44-M48 PolarHBondContact O-N 3.32Å; Y45-M48 PolarHBondContact O-N 2.91Å; M48-T51 WeakPolarHBondContact O-CB 3.41Å; M48-T51 PolarHBondContact O-N 3.08Å; M48-V52 WeakPolarHBondContact O-CG2 3.34Å; M48-V52 PolarHBondContact O-N 3.38Å; M48-W412 HydrophobicContact CB-CH2 4.48Å; M48-W412 HydrophobicContact CB-CZ3 3.95Å; M48-A415 HydrophobicContact CE-CB 3.96Å; M48-L419 HydrophobicContact CB-CD1 4.05Å; M48-L419 HydrophobicContact CG-CD1 3.98Å; M48-L419 HydrophobicContact CG-CD2 4.13Å; M48-L419 HydrophobicContact CG-CG 4.29Å; M48-Y518 HydrophobicContact CE-CD1 3.35Å; M48-Y518 HydrophobicContact CE-CE1 3.43Å; M48-Y518 VanDerWaalsContact CE-CE1 3.43Å
49K91.5Very high87.4Confident59 Ų5964.3 Ų64.326%0.25732%0.321SS..Hα-helixtrans-62.9-46.1177.9-167.5156.3-174156.20111.6Y45 F47 T51 V52 D53 W412 E443Y45-K49 HydrophobicContact CE1-CD 3.65Å; Y45-K49 VanDerWaalsContact O-CB 3.29Å; Y45-K49 WeakPolarHBondContact O-CB 3.39Å; Y45-K49 PolarHBondContact O-N 3.44Å; Y45-K49 PolarHBondContact OH-NZ 3.28Å; F47-K49 PolarHBondContact O-N 3.17Å; K49-T51 VanDerWaalsContact C-N 3.34Å; K49-T51 PolarHBondContact O-N 2.66Å; K49-V52 PolarHBondContact O-N 3.32Å; K49-D53 PolarHBondContact O-N 2.98Å; K49-W412 HydrophobicContact CB-CE3 4.36Å; K49-W412 HydrophobicContact CB-CH2 3.89Å; K49-W412 HydrophobicContact CB-CZ2 4.34Å; K49-W412 HydrophobicContact CB-CZ3 3.9Å; K49-W412 HydrophobicContact CD-CH2 4.43Å; K49-W412 HydrophobicContact CD-CZ2 4.05Å; K49-W412 HydrophobicContact CG-CH2 4.44Å; K49-W412 HydrophobicContact CG-CZ2 4.43Å; K49-W412 HydrophobicContact CG-CZ3 4.47Å; K49-E443 IonicContact NZ-OE1 2.59Å; K49-E443 PolarHBondContact NZ-OE1 2.98Å
50T90Very high87.5Confident70 Ų7064.8 Ų64.843%0.42932%0.322SS..Hα-helixtrans-59.8-44.5176.3-56.80000111.5R46 F47 V52 D53 Q54R46-T50 WeakPolarHBondContact O-CB 3.26Å; R46-T50 PolarHBondContact O-N 3.14Å; R46-T50 PolarHBondContact O-OG1 3.37Å; F47-T50 PolarHBondContact O-N 2.98Å; T50-V52 PolarHBondContact O-N 3.49Å; T50-D53 PolarHBondContact O-N 2.93Å; T50-Q54 HydrophobicContact CG2-CG 4.47Å; T50-Q54 WeakPolarHBondContact O-CB 2.96Å; T50-Q54 VanDerWaalsContact O-CG 3.31Å; T50-Q54 WeakPolarHBondContact O-CG 3.39Å; T50-Q54 PolarHBondContact O-N 3.33Å
51T86.8Confident87.8Confident38 Ų3867.6 Ų67.623%0.23334%0.337CS..Hα-helixtrans-58.6-47.9175.7-68.90000111.8C22 F47 M48 K49 D53 Q54 R55C22-T51 WeakPolarHBondContact SG-CG2 3.41Å; F47-T51 PolarHBondContact O-N 3.32Å; F47-T51 PolarHBondContact O-OG1 2.74Å; M48-T51 WeakPolarHBondContact O-CB 3.41Å; M48-T51 PolarHBondContact O-N 3.08Å; K49-T51 VanDerWaalsContact C-N 3.34Å; K49-T51 PolarHBondContact O-N 2.66Å; T51-D53 VanDerWaalsContact C-N 3.32Å; T51-D53 PolarHBondContact O-N 3.3Å; T51-Q54 PolarHBondContact O-N 3.04Å; T51-R55 PolarHBondContact O-N 2.91Å
52V86.4Confident88.1Confident6 Ų671.5 Ų71.54%0.03636%0.358CS..Hα-helixtrans-63.2-40.6179.2169.50000111.1M48 K49 T50 Q54 R55 A411 W412 A415M48-V52 WeakPolarHBondContact O-CG2 3.34Å; M48-V52 PolarHBondContact O-N 3.38Å; K49-V52 PolarHBondContact O-N 3.32Å; T50-V52 PolarHBondContact O-N 3.49Å; V52-Q54 VanDerWaalsContact C-N 3.34Å; V52-Q54 PolarHBondContact O-N 2.87Å; V52-R55 VanDerWaalsContact O-CB 3.32Å; V52-R55 WeakPolarHBondContact O-CB 3.34Å; V52-R55 PolarHBondContact O-N 3.41Å; V52-A411 HydrophobicContact CG1-CB 3.8Å; V52-W412 HydrophobicContact CB-CE3 4.39Å; V52-W412 HydrophobicContact CG1-CB 4.08Å; V52-W412 HydrophobicContact CG2-CE3 4.15Å; V52-A415 HydrophobicContact CG2-CB 3.85Å
53D85.7Confident88.3Confident86 Ų8668.9 Ų68.946%0.4635%0.351SS..Hα-helixtrans-67.2-33.9179.2-74.4-26.2000112.8K49 T50 T51 R408K49-D53 PolarHBondContact O-N 2.98Å; T50-D53 PolarHBondContact O-N 2.93Å; T51-D53 VanDerWaalsContact C-N 3.32Å; T51-D53 PolarHBondContact O-N 3.3Å; D53-R408 PolarHBondContact O-NH1 3.4Å
54Q84.7Confident88.5Confident148 Ų14868.4 Ų68.469%0.69235%0.351SS*.Hα-helixtrans-82.4-12.9177-68.2177.74.400113.6T50 T51 V52 L56T50-Q54 HydrophobicContact CG2-CG 4.47Å; T50-Q54 WeakPolarHBondContact O-CB 2.96Å; T50-Q54 VanDerWaalsContact O-CG 3.31Å; T50-Q54 WeakPolarHBondContact O-CG 3.39Å; T50-Q54 PolarHBondContact O-N 3.33Å; T51-Q54 PolarHBondContact O-N 3.04Å; V52-Q54 VanDerWaalsContact C-N 3.34Å; V52-Q54 PolarHBondContact O-N 2.87Å; Q54-L56 PolarHBondContact O-N 3.39Å
55R80Confident88.9Confident94 Ų9469.7 Ų69.736%0.35536%0.36SS..SBendtrans-60.8126.5-177.9-172.9175.7178.6177.8-0.2111.3T51 V52 L57T51-R55 PolarHBondContact O-N 2.91Å; V52-R55 VanDerWaalsContact O-CB 3.32Å; V52-R55 WeakPolarHBondContact O-CB 3.34Å; V52-R55 PolarHBondContact O-N 3.41Å; R55-L57 PolarHBondContact O-N 3.05Å
56L81Confident89.2Confident139 Ų13969.1 Ų69.173%0.72836%0.359SS*.PPolyproline II helixtrans-65.1119.2171.4-69.9173.8000110.1Q54Q54-L56 PolarHBondContact O-N 3.39Å
57L79.6Confident89.3Confident56 Ų5664.6 Ų64.629%0.29334%0.343SS..PPolyproline II helixtrans-67.5134.9176.1-61.2-177.8000110.1R55 D404 R407 R408R55-L57 PolarHBondContact O-N 3.05Å; L57-D404 HydrophobicContact CD1-CB 4.33Å; L57-D404 WeakPolarHBondContact CD1-OD1 3.3Å; L57-R407 HydrophobicContact CD1-CB 4.15Å; L57-R407 HydrophobicContact CD2-CB 3.98Å; L57-R408 HydrophobicContact CD2-CG 4.44Å
58Q81.1Confident89.7Confident156 Ų15664.1 Ų64.173%0.72935%0.346SS*.PPolyproline II helixtrans-63.9161.6172.8-65.2-1751.700110.9R407Q58-R407 PolarHBondContact O-NH1 2.88Å
59S88Confident90Very high70 Ų7064.9 Ų64.949%0.4935%0.35SS..PPolyproline II helixtrans-53.1138.1174.8-69.40000111.1
60P92Very high90.1Very high81 Ų8165.6 Ų65.653%0.52636%0.356SS..PPolyproline II helixtrans-61.4152.1178.226.2-34.2000111.4N402P60-N402 WeakPolarHBondContact CA-OD1 3.23Å; P60-N402 HydrophobicContact CB-CB 4.01Å; P60-N402 VanDerWaalsContact CB-CG 3.44Å; P60-N402 WeakPolarHBondContact CB-OD1 3.42Å
61V94.5Very high90.4Very high68 Ų6867.1 Ų67.141%0.41236%0.359SS..PPolyproline II helixtrans-73.2134.5175.5177.50000109P63 F67 I398 N402V61-P63 VanDerWaalsContact O-CD 3.28Å; V61-P63 WeakPolarHBondContact O-CD 3.31Å; V61-F67 HydrophobicContact CG1-CE1 3.89Å; V61-F67 HydrophobicContact CG1-CZ 3.75Å; V61-I398 HydrophobicContact CB-CG2 3.88Å; V61-I398 HydrophobicContact CG1-CD1 4.37Å; V61-I398 HydrophobicContact CG1-CG2 3.91Å; V61-I398 WeakPolarHBondContact O-CG2 3.47Å; V61-N402 PolarHBondContact N-OD1 3.45Å; V61-N402 PolarHBondContact O-ND2 2.9Å
62N96.2Very high90.8Very high82 Ų8265.3 Ų65.344%0.43935%0.348SS..PPolyproline II helixtrans-73.5119.7177.8-179.85.6000110.6T64 S65N62-T64 PolarHBondContact ND2-OG1 3.3Å; N62-T64 VanDerWaalsContact ND2-OG1 3.11Å; N62-T64 PolarHBondContact O-N 3.42Å; N62-T64 VanDerWaalsContact O-N 3.12Å; N62-T64 PolarHBondContact OD1-N 3.3Å; N62-T64 PolarHBondContact OD1-OG1 2.95Å; N62-T64 VanDerWaalsContact OD1-OG1 3.07Å; N62-S65 WeakPolarHBondContact O-CB 3.47Å; N62-S65 PolarHBondContact O-N 3.02Å
63P96Very high91.3Very high24 Ų2466.5 Ų66.516%0.15635%0.354CS..THydrogen-bonded Turntrans-66-9.5179.1-1830.5000115.7V61 T395 I398 R399 S485V61-P63 VanDerWaalsContact O-CD 3.28Å; V61-P63 WeakPolarHBondContact O-CD 3.31Å; P63-T395 HydrophobicContact CB-CG2 4Å; P63-T395 PolarHBondContact O-OG1 3.34Å; P63-I398 HydrophobicContact CB-CB 4.35Å; P63-I398 HydrophobicContact CB-CG2 4.15Å; P63-I398 HydrophobicContact CG-CB 4.49Å; P63-I398 HydrophobicContact CG-CG2 3.88Å; P63-R399 HydrophobicContact CG-CG 3.97Å; P63-S485 PolarHBondContact O-OG 3.37Å
64T95.6Very high91.8Very high52 Ų5262.7 Ų62.732%0.31933%0.333SS..THydrogen-bonded Turntrans-106.215.7178.374.20000112.6N62 N489N62-T64 PolarHBondContact ND2-OG1 3.3Å; N62-T64 VanDerWaalsContact ND2-OG1 3.11Å; N62-T64 PolarHBondContact O-N 3.42Å; N62-T64 VanDerWaalsContact O-N 3.12Å; N62-T64 PolarHBondContact OD1-N 3.3Å; N62-T64 PolarHBondContact OD1-OG1 2.95Å; N62-T64 VanDerWaalsContact OD1-OG1 3.07Å; T64-N489 WeakPolarHBondContact CB-OD1 3.2Å; T64-N489 VanDerWaalsContact O-CB 3.31Å; T64-N489 WeakPolarHBondContact O-CB 3.47Å
65S96Very high92.3Very high27 Ų2758.8 Ų58.819%0.18932%0.322CS..  trans-79.8155.8176.3-75.90000112.6N62 F67 T484 Y493N62-S65 WeakPolarHBondContact O-CB 3.47Å; N62-S65 PolarHBondContact O-N 3.02Å; S65-F67 WeakPolarHBondContact O-CE2 3.31Å; S65-T484 PolarHBondContact O-OG1 3.35Å; S65-Y493 WeakPolarHBondContact CA-OH 3.23Å
66V97.2Very high93.1Very high13 Ų1360.2 Ų60.28%0.07933%0.333CS..  trans-95.9128.2165.4177.30000107.9V482 T484 N489 L490 Y493 F499V66-V482 HydrophobicContact CG1-CB 3.79Å; V66-V482 HydrophobicContact CG1-CG1 4.12Å; V66-V482 HydrophobicContact CG1-CG2 4.29Å; V66-T484 HydrophobicContact CG2-CG2 4.31Å; V66-N489 HydrophobicContact CG2-CB 4.47Å; V66-L490 HydrophobicContact CG2-CD2 3.89Å; V66-L490 HydrophobicContact CG2-CG 4.4Å; V66-Y493 HydrophobicContact CB-CE2 4.02Å; V66-Y493 HydrophobicContact CG2-CD2 4.15Å; V66-Y493 HydrophobicContact CG2-CE2 3.6Å; V66-Y493 PolarHBondContact N-OH 3.03Å; V66-F499 HydrophobicContact CB-CD1 4.47Å; V66-F499 HydrophobicContact CB-CE1 3.68Å; V66-F499 HydrophobicContact CB-CZ 3.92Å; V66-F499 HydrophobicContact CG1-CD1 4.22Å; V66-F499 HydrophobicContact CG1-CE1 3.76Å; V66-F499 HydrophobicContact CG1-CE2 4.33Å; V66-F499 HydrophobicContact CG1-CZ 3.82Å; V66-F499 HydrophobicContact CG2-CZ 4.34Å
67F96.7Very high93.8Very high49 Ų4953.8 Ų53.822%0.21530%0.299CS..EExtended strand (participates in β ladder)trans-106.4136.3-177.8-61.2-87.1000109.4V61 S65 L394 I398 V482 Y483V61-F67 HydrophobicContact CG1-CE1 3.89Å; V61-F67 HydrophobicContact CG1-CZ 3.75Å; S65-F67 WeakPolarHBondContact O-CE2 3.31Å; F67-L394 HydrophobicContact CD2-CD2 3.83Å; F67-L394 HydrophobicContact CE2-CD2 3.79Å; F67-L394 HydrophobicContact CE2-CG 4.49Å; F67-I398 HydrophobicContact CE2-CD1 3.63Å; F67-I398 HydrophobicContact CZ-CD1 3.53Å; F67-V482 CarbonylContact O-C 3.46Å; F67-V482 WeakPolarHBondContact O-CA 3.38Å; F67-Y483 HydrophobicContact CB-CD1 3.89Å; F67-Y483 HydrophobicContact CB-CD2 4.25Å; F67-Y483 HydrophobicContact CB-CE1 3.4Å; F67-Y483 HydrophobicContact CB-CE2 3.78Å; F67-Y483 HydrophobicContact CB-CG 4.29Å; F67-Y483 HydrophobicContact CD2-CD2 4.36Å; F67-Y483 AromaticContact CD2-CE2 3.91Å; F67-Y483 HydrophobicContact CD2-CE2 3.91Å; F67-Y483 HydrophobicContact CG-CE1 4.41Å; F67-Y483 HydrophobicContact CG-CE2 4Å; F67-Y483 AromaticContact CG-CZ 3.86Å; F67-Y483 PolarHBondContact N-O 3.45Å; F67-Y483 PolarHBondContact O-N 3.11Å
68A96.6Very high94.5Very high26 Ų2654.2 Ų54.222%0.21530%0.302CS..EExtended strand (participates in β ladder)trans-110.4124.5-173.300000111.3V482 F499A68-V482 HydrophobicContact CB-CG1 4.21Å; A68-F499 HydrophobicContact CB-CB 3.93Å
69N94.8Very high95Very high18 Ų1846.8 Ų46.810%0.09627%0.268CS..SBendtrans-89-34.4168.4-61.8-39.6000110.9A480 D481 A501N69-A480 WeakPolarHBondContact CB-O 3.19Å; N69-A480 PolarHBondContact ND2-O 2.57Å; N69-D481 PolarHBondContact N-O 3Å; N69-A501 VanDerWaalsContact O-CB 3.27Å; N69-A501 WeakPolarHBondContact O-CB 3.25Å
70N93.7Very high95.3Very high74 Ų7443.5 Ų43.540%0.39624%0.244SC..SBendtrans-125.5164.4175-65.2-40.7000111L72 D481N70-L72 PolarHBondContact O-N 3.18Å; N70-D481 HydrophobicContact CB-CB 4.27Å; N70-D481 VanDerWaalsContact CB-OD1 3.29Å; N70-D481 WeakPolarHBondContact CB-OD1 3.4Å; N70-D481 PolarHBondContact N-O 3.19Å; N70-D481 VanDerWaalsContact N-O 3.1Å; N70-D481 PolarHBondContact ND2-OD1 3.12Å
71E95.2Very high95.3Very high103 Ų10339.7 Ų39.748%0.48122%0.219SC..  trans-67.1128169.5-67.1-159.8179.200110.7R386 K498 F499E71-R386 PolarHBondContact O-NH1 2.87Å; E71-R386 PolarHBondContact O-NH2 2.79Å; E71-K498 WeakPolarHBondContact OE2-CE 3.47Å; E71-K498 IonicContact OE2-NZ 3.5Å; E71-K498 PolarHBondContact OE2-NZ 2.63Å; E71-F499 VanDerWaalsContact CA-O 3.3Å; E71-F499 WeakPolarHBondContact CA-O 3.41Å
72L96.3Very high95.1Very high0 Ų036.4 Ų36.40%020%0.2CC..EExtended strand (participates in β ladder)trans-133.5113.8178.2176.467.7000109.1N70 L74 I77 L366 R386 V482 F499N70-L72 PolarHBondContact O-N 3.18Å; L72-L74 HydrophobicContact CD2-CD2 3.94Å; L72-L74 HydrophobicContact CG-CD2 4.13Å; L72-I77 HydrophobicContact CD1-CD1 4.07Å; L72-I77 HydrophobicContact CD1-CG1 4.31Å; L72-L366 HydrophobicContact CD2-CD1 4.12Å; L72-L366 HydrophobicContact CD2-CD2 3.99Å; L72-R386 HydrophobicContact CD1-CB 4.01Å; L72-R386 HydrophobicContact CD1-CG 4.03Å; L72-V482 HydrophobicContact CB-CG1 4.17Å; L72-V482 HydrophobicContact CD2-CB 4.34Å; L72-V482 HydrophobicContact CD2-CG1 3.61Å; L72-V482 HydrophobicContact CD2-CG2 3.74Å; L72-F499 HydrophobicContact CB-CB 4.35Å; L72-F499 HydrophobicContact CB-CD2 4.48Å; L72-F499 HydrophobicContact CD2-CD2 4.33Å; L72-F499 PolarHBondContact N-O 2.77Å; L72-F499 PolarHBondContact O-N 2.95Å
73D96.7Very high94.8Very high31 Ų3133.2 Ų33.217%0.16618%0.183CC..EExtended strand (participates in β ladder)trans-95.3111.3173.1-164.3-32.6000109.8S75 E76 K498D73-S75 PolarHBondContact O-N 3.28Å; D73-S75 VanDerWaalsContact OD1-CB 3.28Å; D73-S75 WeakPolarHBondContact OD1-CB 3.28Å; D73-S75 PolarHBondContact OD1-N 3.16Å; D73-S75 PolarHBondContact OD1-OG 3.43Å; D73-E76 HydrophobicContact CB-CG 4.06Å; D73-E76 PolarHBondContact O-N 3.45Å; D73-K498 HydrophobicContact CB-CD 4.26Å; D73-K498 HydrophobicContact CB-CG 4.23Å
74L96.8Very high94.5Very high5 Ų532.2 Ų32.23%0.02618%0.176CC..G310 helixtrans-67.9-16.8-179.8-65.8-169.8000113.2L72 E76 I77 L366 I495 Q497 F499L72-L74 HydrophobicContact CD2-CD2 3.94Å; L72-L74 HydrophobicContact CG-CD2 4.13Å; L74-E76 VanDerWaalsContact C-N 3.26Å; L74-E76 PolarHBondContact O-N 3.08Å; L74-I77 HydrophobicContact CD2-CG1 4.39Å; L74-I77 PolarHBondContact O-N 3.4Å; L74-L366 HydrophobicContact CD2-CD2 3.88Å; L74-I495 CarbonylContact C-O 3.55Å; L74-I495 VanDerWaalsContact CB-O 3.24Å; L74-I495 WeakPolarHBondContact CB-O 3.46Å; L74-Q497 WeakPolarHBondContact CB-O 3.48Å; L74-Q497 HydrophobicContact CD1-CB 4.17Å; L74-Q497 WeakPolarHBondContact CG-O 3.43Å; L74-Q497 PolarHBondContact N-O 3.34Å; L74-F499 HydrophobicContact CD1-CE2 3.86Å; L74-F499 HydrophobicContact CD2-CE2 4.26Å; L74-F499 HydrophobicContact CG-CD2 4.35Å; L74-F499 HydrophobicContact CG-CE2 3.93Å
75S95.4Very high94.2Very high66 Ų6630.4 Ų30.446%0.46216%0.164SC..G310 helixtrans-67.4-29.3175.269.30000112.5D73 I77D73-S75 PolarHBondContact O-N 3.28Å; D73-S75 VanDerWaalsContact OD1-CB 3.28Å; D73-S75 WeakPolarHBondContact OD1-CB 3.28Å; D73-S75 PolarHBondContact OD1-N 3.16Å; D73-S75 PolarHBondContact OD1-OG 3.43Å; S75-I77 VanDerWaalsContact C-N 3.31Å
76E95.2Very high94Very high125 Ų12529.6 Ų29.658%0.58416%0.157SC*.G310 helixtrans-80.6-8.6177.7-59.9179.3167.300113.2D73 L74 G364D73-E76 HydrophobicContact CB-CG 4.06Å; D73-E76 PolarHBondContact O-N 3.45Å; L74-E76 VanDerWaalsContact C-N 3.26Å; L74-E76 PolarHBondContact O-N 3.08Å; E76-G364 WeakPolarHBondContact O-CA 3.4Å
77I96Very high93.8Very high3 Ų329 Ų292%0.01515%0.153CC..  trans-93.3113.4-178.6-55.2-55000109.9L72 L74 S75 V79 Y80 K271 G364 L366 R386L72-I77 HydrophobicContact CD1-CD1 4.07Å; L72-I77 HydrophobicContact CD1-CG1 4.31Å; L74-I77 HydrophobicContact CD2-CG1 4.39Å; L74-I77 PolarHBondContact O-N 3.4Å; S75-I77 VanDerWaalsContact C-N 3.31Å; I77-V79 WeakPolarHBondContact CG2-O 3.42Å; I77-Y80 HydrophobicContact CB-CE2 4.1Å; I77-Y80 HydrophobicContact CG2-CD2 3.89Å; I77-Y80 HydrophobicContact CG2-CE1 4.17Å; I77-Y80 HydrophobicContact CG2-CE2 3.45Å; I77-Y80 VanDerWaalsContact CG2-CE2 3.45Å; I77-Y80 HydrophobicContact CG2-CG 4.39Å; I77-K271 VanDerWaalsContact O-CD 3.25Å; I77-K271 WeakPolarHBondContact O-CD 3.35Å; I77-K271 WeakPolarHBondContact O-CE 3.31Å; I77-K271 PolarHBondContact O-NZ 2.84Å; I77-G364 CarbonylContact C-O 3.5Å; I77-L366 HydrophobicContact CD1-CB 4.13Å; I77-L366 HydrophobicContact CG1-CB 4.17Å; I77-L366 HydrophobicContact CG2-CB 3.56Å; I77-R386 HydrophobicContact CD1-CB 4.32Å; I77-R386 HydrophobicContact CD1-CG 3.89Å
78D94.1Very high93.6Very high65 Ų6526.9 Ų26.935%0.34814%0.144SC..  trans-93.3-27.4177.3-53.4-58.1000112.8K271 L272 K363 G364D78-K271 WeakPolarHBondContact O-CA 3.21Å; D78-L272 PolarHBondContact O-N 3.16Å; D78-K363 HydrophobicContact CB-CB 4.04Å; D78-K363 HydrophobicContact CB-CD 4.17Å; D78-K363 HydrophobicContact CB-CG 4.36Å; D78-G364 PolarHBondContact N-O 3.44Å; D78-G364 PolarHBondContact OD2-N 3.39Å; D78-G364 VanDerWaalsContact OD2-N 3.14Å
79V92.7Very high93.3Very high1 Ų125.6 Ų25.61%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-128.9130.3-172.4-169.40000110.3I77 L272 F274 I360 K363 G364 I365 L366I77-V79 WeakPolarHBondContact CG2-O 3.42Å; V79-L272 CarbonylContact C-O 3.48Å; V79-L272 WeakPolarHBondContact CA-O 3.37Å; V79-L272 HydrophobicContact CB-CB 4.43Å; V79-L272 HydrophobicContact CG1-CB 4.09Å; V79-L272 HydrophobicContact CG2-CB 4.17Å; V79-L272 HydrophobicContact CG2-CD1 4.43Å; V79-F274 HydrophobicContact CG1-CD1 3.53Å; V79-F274 HydrophobicContact CG1-CE1 3.56Å; V79-I360 HydrophobicContact CG1-CD1 4.39Å; V79-I360 HydrophobicContact CG2-CB 4.24Å; V79-I360 HydrophobicContact CG2-CG2 4.19Å; V79-K363 HydrophobicContact CG2-CB 3.87Å; V79-K363 HydrophobicContact CG2-CD 3.67Å; V79-K363 HydrophobicContact CG2-CG 4.42Å; V79-G364 PolarHBondContact N-O 3.26Å; V79-I365 HydrophobicContact CB-CG1 3.9Å; V79-I365 HydrophobicContact CG2-CG1 4.24Å; V79-I365 WeakPolarHBondContact O-CA 3.29Å; V79-L366 PolarHBondContact O-N 3Å
80Y93.4Very high93.2Very high1 Ų125.3 Ų25.30%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-112.8117.9176.8-71.3-104.4000109.6I77 F82 F262 L266 K271 L272 V273 F274 L366 F368I77-Y80 HydrophobicContact CB-CE2 4.1Å; I77-Y80 HydrophobicContact CG2-CD2 3.89Å; I77-Y80 HydrophobicContact CG2-CE1 4.17Å; I77-Y80 HydrophobicContact CG2-CE2 3.45Å; I77-Y80 VanDerWaalsContact CG2-CE2 3.45Å; I77-Y80 HydrophobicContact CG2-CG 4.39Å; Y80-F82 HydrophobicContact CD1-CZ 4.33Å; Y80-F262 HydrophobicContact CD1-CZ 4.45Å; Y80-F262 HydrophobicContact CE1-CZ 4.37Å; Y80-L266 HydrophobicContact CD1-CD1 4.23Å; Y80-L266 HydrophobicContact CD1-CD2 4.33Å; Y80-L266 HydrophobicContact CD2-CD1 4.21Å; Y80-L266 HydrophobicContact CD2-CD2 3.87Å; Y80-L266 HydrophobicContact CE1-CD2 4.15Å; Y80-L266 HydrophobicContact CE2-CD2 3.7Å; Y80-L266 HydrophobicContact CG-CD1 3.91Å; Y80-L266 HydrophobicContact CG-CD2 4.2Å; Y80-K271 HydrophobicContact CD2-CB 4.1Å; Y80-K271 HydrophobicContact CE2-CB 4.17Å; Y80-K271 HydrophobicContact CE2-CD 4.32Å; Y80-K271 HydrophobicContact CE2-CG 4.07Å; Y80-L272 PolarHBondContact N-O 3.29Å; Y80-V273 CarbonylContact O-C 3.58Å; Y80-V273 VanDerWaalsContact O-CA 3.22Å; Y80-V273 WeakPolarHBondContact O-CA 3.34Å; Y80-F274 PolarHBondContact O-N 3.45Å; Y80-L366 WeakPolarHBondContact CA-O 3.28Å; Y80-L366 HydrophobicContact CD1-CD2 4.3Å; Y80-L366 HydrophobicContact CE1-CD2 3.88Å; Y80-F368 HydrophobicContact CD1-CE2 4.18Å
81G91.1Very high93.2Very high0 Ų022.2 Ų22.20%012%0.115CC..EExtended strand (participates in β ladder)trans-105.8148.217400000111.4F274 L366 Y367 F368G81-F274 VanDerWaalsContact CA-CZ 3.42Å; G81-F274 WeakPolarHBondContact CA-O 3.4Å; G81-L366 PolarHBondContact N-O 2.96Å; G81-Y367 CarbonylContact O-C 3.38Å; G81-Y367 WeakPolarHBondContact O-CA 3.41Å; G81-F368 PolarHBondContact O-N 2.95Å
82F91.1Very high93.1Very high0 Ų022.6 Ų22.60%011%0.112CC..EExtended strand (participates in β ladder)trans-135.6141.7178.9-59.7-87.2000110.3Y80 L88 F262 F263 V273 F274 L275 I276 F368 V487Y80-F82 HydrophobicContact CD1-CZ 4.33Å; F82-L88 HydrophobicContact CB-CD1 4.03Å; F82-L88 HydrophobicContact CB-CD2 4.25Å; F82-L88 HydrophobicContact CB-CG 4.1Å; F82-L88 HydrophobicContact CD1-CD2 3.88Å; F82-L88 HydrophobicContact CG-CD1 4.48Å; F82-L88 HydrophobicContact CG-CD2 4.1Å; F82-L88 HydrophobicContact CG-CG 4.48Å; F82-F262 HydrophobicContact CZ-CE1 4.03Å; F82-F263 AromaticContact CD2-CE1 3.95Å; F82-F263 HydrophobicContact CD2-CE1 3.95Å; F82-F263 HydrophobicContact CD2-CZ 4.26Å; F82-F263 AromaticContact CE2-CE1 3.57Å; F82-F263 HydrophobicContact CE2-CE1 3.57Å; F82-F263 HydrophobicContact CE2-CZ 4.17Å; F82-F263 HydrophobicContact CZ-CE1 4.06Å; F82-F263 HydrophobicContact CZ-CZ 4.45Å; F82-V273 HydrophobicContact CD2-CG1 3.98Å; F82-V273 HydrophobicContact CE2-CG1 3.88Å; F82-F274 PolarHBondContact N-O 3.45Å; F82-L275 HydrophobicContact CB-CD1 4.1Å; F82-L275 CarbonylContact O-C 3.59Å; F82-L275 WeakPolarHBondContact O-CA 3.35Å; F82-L275 WeakPolarHBondContact O-CD1 3.08Å; F82-I276 PolarHBondContact O-N 2.83Å; F82-F368 CarbonylContact C-O 3.57Å; F82-F368 WeakPolarHBondContact CA-O 3.49Å; F82-F368 HydrophobicContact CD1-CB 3.68Å; F82-F368 AromaticContact CD1-CD2 3.96Å; F82-F368 HydrophobicContact CD1-CD2 3.96Å; F82-F368 HydrophobicContact CD1-CG 4.09Å; F82-F368 HydrophobicContact CE1-CB 4.01Å; F82-F368 AromaticContact CE1-CD2 3.43Å; F82-F368 HydrophobicContact CE1-CD2 3.43Å; F82-F368 VanDerWaalsContact CE1-CD2 3.43Å; F82-F368 HydrophobicContact CE1-CE2 4.12Å; F82-F368 AromaticContact CE1-CG 3.88Å; F82-F368 HydrophobicContact CE1-CG 3.88Å; F82-F368 HydrophobicContact CZ-CD2 4.05Å; F82-F368 HydrophobicContact CZ-CE2 4.47Å; F82-V487 HydrophobicContact CD1-CG1 4.2Å; F82-V487 HydrophobicContact CD1-CG2 3.99Å; F82-V487 HydrophobicContact CE1-CB 4.45Å; F82-V487 HydrophobicContact CE1-CG1 3.54Å; F82-V487 HydrophobicContact CE1-CG2 4Å; F82-V487 HydrophobicContact CZ-CG1 4.27Å
83D90.8Very high92.9Very high15 Ų1528.1 Ų28.18%0.0814%0.136CC..  trans-74164.8150.8169.253.2000110.5T87 L88 I276 F368D83-T87 HydrophobicContact CB-CG2 4.29Å; D83-T87 WeakPolarHBondContact O-CB 3.33Å; D83-T87 WeakPolarHBondContact O-CG2 3.48Å; D83-T87 PolarHBondContact OD2-OG1 2.87Å; D83-L88 WeakPolarHBondContact O-CG 3.4Å; D83-I276 VanDerWaalsContact CA-O 3.28Å; D83-I276 WeakPolarHBondContact CA-O 3.37Å; D83-F368 PolarHBondContact N-O 2.82Å
84Y88.6Confident92.8Very high3 Ų329 Ų291%0.01214%0.144CC..SBendtrans-99.4-62.8-177.7179.8-105.1000113.6T87 L88 A89 L275 S277 F283 M284 F287Y84-T87 PolarHBondContact O-N 3.35Å; Y84-L88 PolarHBondContact O-N 3.27Å; Y84-A89 HydrophobicContact CD1-CB 4.49Å; Y84-A89 HydrophobicContact CE1-CB 4.02Å; Y84-A89 HydrophobicContact CE2-CB 4.17Å; Y84-A89 PolarHBondContact O-N 2.86Å; Y84-L275 HydrophobicContact CD2-CD2 4.28Å; Y84-S277 WeakPolarHBondContact CB-OG 3.44Å; Y84-F283 AromaticContact CE1-CD1 3.68Å; Y84-F283 HydrophobicContact CE1-CD1 3.68Å; Y84-F283 AromaticContact CE1-CE1 3.6Å; Y84-F283 HydrophobicContact CE1-CE1 3.6Å; Y84-F283 PolarHBondContact OH-O 3.4Å; Y84-M284 HydrophobicContact CD1-CG 3.83Å; Y84-M284 HydrophobicContact CD2-CB 4.42Å; Y84-M284 HydrophobicContact CD2-CG 4.05Å; Y84-M284 HydrophobicContact CE1-CG 3.95Å; Y84-M284 HydrophobicContact CE2-CB 4.2Å; Y84-M284 HydrophobicContact CE2-CG 4.15Å; Y84-M284 HydrophobicContact CG-CG 3.88Å; Y84-M284 HydrophobicContact CG-SD 4.24Å; Y84-F287 HydrophobicContact CE2-CB 3.64Å; Y84-F287 AromaticContact CE2-CD1 3.8Å; Y84-F287 HydrophobicContact CE2-CD1 3.8Å; Y84-F287 HydrophobicContact CE2-CD2 4.44Å; Y84-F287 AromaticContact CE2-CG 3.73Å; Y84-F287 HydrophobicContact CE2-CG 3.73Å; Y84-F287 WeakPolarHBondContact OH-CB 3.38Å
85D89.3Confident92.8Very high13 Ų1328.7 Ų28.77%0.0714%0.143CC..BIsolated β-bridgetrans-72129.8-170.9-74-62.6000110.3T87 Y91 F197 S279D85-T87 PolarHBondContact O-N 2.88Å; D85-Y91 HydrophobicContact CB-CE2 4.19Å; D85-Y91 WeakPolarHBondContact OD1-CE2 3.44Å; D85-Y91 PolarHBondContact OD1-OH 3.48Å; D85-F197 HydrophobicContact CB-CE2 4.05Å; D85-F197 HydrophobicContact CB-CZ 4.15Å; D85-S279 WeakPolarHBondContact OD2-CB 3.3Å; D85-S279 PolarHBondContact OD2-OG 2.81Å
86Y92.1Very high92.8Very high10 Ų1026.3 Ų26.34%0.03913%0.125CC..THydrogen-bonded Turntrans59.6-12.7-172.9-66.7-75.2000116.6A89 Y91 N96 L196 F197 D370Y86-A89 VanDerWaalsContact CA-O 3.32Å; Y86-A89 WeakPolarHBondContact CA-O 3.45Å; Y86-A89 PolarHBondContact N-O 3.39Å; Y86-Y91 AromaticContact CD1-CD2 3.78Å; Y86-Y91 HydrophobicContact CD1-CD2 3.78Å; Y86-Y91 AromaticContact CD2-CD2 3.98Å; Y86-Y91 HydrophobicContact CD2-CD2 3.98Å; Y86-Y91 HydrophobicContact CD2-CE2 4.31Å; Y86-Y91 AromaticContact CE1-CD2 3.66Å; Y86-Y91 HydrophobicContact CE1-CD2 3.66Å; Y86-Y91 HydrophobicContact CE1-CG 4.19Å; Y86-Y91 AromaticContact CE2-CD2 3.84Å; Y86-Y91 HydrophobicContact CE2-CD2 3.84Å; Y86-Y91 HydrophobicContact CE2-CE2 4.35Å; Y86-Y91 AromaticContact CG-CD2 3.95Å; Y86-Y91 HydrophobicContact CG-CD2 3.95Å; Y86-Y91 AromaticContact CZ-CD2 3.68Å; Y86-N96 PolarHBondContact OH-OD1 3.43Å; Y86-L196 HydrophobicContact CD1-CB 4.03Å; Y86-L196 HydrophobicContact CD1-CD1 3.26Å; Y86-L196 HydrophobicContact CD1-CG 4.25Å; Y86-L196 HydrophobicContact CD2-CB 3.89Å; Y86-L196 HydrophobicContact CD2-CD1 4.27Å; Y86-L196 HydrophobicContact CE1-CB 3.72Å; Y86-L196 HydrophobicContact CE1-CD1 3.63Å; Y86-L196 HydrophobicContact CE1-CG 4.24Å; Y86-L196 HydrophobicContact CE2-CB 3.59Å; Y86-L196 HydrophobicContact CG-CB 4.1Å; Y86-L196 HydrophobicContact CG-CD1 3.61Å; Y86-L196 HydrophobicContact CG-CG 4.47Å; Y86-L196 VanDerWaalsContact CZ-CB 3.5Å; Y86-F197 HydrophobicContact CD2-CD2 4.16Å; Y86-F197 AromaticContact CD2-CE2 3.7Å; Y86-F197 HydrophobicContact CD2-CE2 3.7Å; Y86-F197 AromaticContact CD2-CZ 3.93Å; Y86-F197 HydrophobicContact CD2-CZ 3.93Å; Y86-F197 AromaticContact CE2-CD1 3.89Å; Y86-F197 HydrophobicContact CE2-CD1 3.89Å; Y86-F197 AromaticContact CE2-CD2 3.77Å; Y86-F197 HydrophobicContact CE2-CD2 3.77Å; Y86-F197 AromaticContact CE2-CE1 3.65Å; Y86-F197 HydrophobicContact CE2-CE1 3.65Å; Y86-F197 AromaticContact CE2-CE2 3.51Å; Y86-F197 HydrophobicContact CE2-CE2 3.51Å; Y86-F197 AromaticContact CE2-CG 3.96Å; Y86-F197 HydrophobicContact CE2-CG 3.96Å; Y86-F197 AromaticContact CE2-CZ 3.46Å; Y86-F197 HydrophobicContact CE2-CZ 3.46Å; Y86-F197 VanDerWaalsContact CE2-CZ 3.46Å; Y86-D370 VanDerWaalsContact CB-CG 3.45Å; Y86-D370 WeakPolarHBondContact CB-OD2 3.37Å
87T93.4Very high92.8Very high1 Ų125.5 Ų25.51%0.00612%0.117CC..THydrogen-bonded Turntrans-87.4-64.6172.6-60.50000111.7D83 Y84 D85 F368 G369 D370 I390 V487D83-T87 HydrophobicContact CB-CG2 4.29Å; D83-T87 WeakPolarHBondContact O-CB 3.33Å; D83-T87 WeakPolarHBondContact O-CG2 3.48Å; D83-T87 PolarHBondContact OD2-OG1 2.87Å; Y84-T87 PolarHBondContact O-N 3.35Å; D85-T87 PolarHBondContact O-N 2.88Å; T87-F368 HydrophobicContact CG2-CB 4.15Å; T87-G369 WeakPolarHBondContact OG1-CA 3.31Å; T87-D370 PolarHBondContact OG1-N 3.06Å; T87-I390 HydrophobicContact CG2-CG1 3.99Å; T87-V487 HydrophobicContact CG2-CG2 4.3Å
88L91.6Very high92.9Very high4 Ų426.8 Ų26.82%0.02112%0.123CC..THydrogen-bonded Turntrans-92.9-47.1174.1-64.4-176.7000111.3F82 D83 Y84 I90 L259 F263 L275 F287 V487F82-L88 HydrophobicContact CB-CD1 4.03Å; F82-L88 HydrophobicContact CB-CD2 4.25Å; F82-L88 HydrophobicContact CB-CG 4.1Å; F82-L88 HydrophobicContact CD1-CD2 3.88Å; F82-L88 HydrophobicContact CG-CD1 4.48Å; F82-L88 HydrophobicContact CG-CD2 4.1Å; F82-L88 HydrophobicContact CG-CG 4.48Å; D83-L88 WeakPolarHBondContact O-CG 3.4Å; Y84-L88 PolarHBondContact O-N 3.27Å; L88-I90 PolarHBondContact O-N 2.95Å; L88-L259 HydrophobicContact CD2-CD1 4.22Å; L88-F263 HydrophobicContact CD1-CZ 4.18Å; L88-F263 HydrophobicContact CD2-CE2 4.16Å; L88-F263 HydrophobicContact CD2-CZ 3.75Å; L88-L275 HydrophobicContact CD1-CD1 3.56Å; L88-F287 HydrophobicContact CB-CE1 3.96Å; L88-F287 HydrophobicContact CB-CZ 3.97Å; L88-F287 WeakPolarHBondContact O-CZ 3.38Å; L88-V487 HydrophobicContact CD2-CB 4.37Å; L88-V487 HydrophobicContact CD2-CG1 4.33Å; L88-V487 HydrophobicContact CD2-CG2 4.11Å
89A91Very high93Very high0 Ų023.7 Ų23.70%011%0.107CC..BIsolated β-bridgetrans-86.287.2176.700000110.1Y84 Y86 Y91 I253 F287Y84-A89 HydrophobicContact CD1-CB 4.49Å; Y84-A89 HydrophobicContact CE1-CB 4.02Å; Y84-A89 HydrophobicContact CE2-CB 4.17Å; Y84-A89 PolarHBondContact O-N 2.86Å; Y86-A89 VanDerWaalsContact CA-O 3.32Å; Y86-A89 WeakPolarHBondContact CA-O 3.45Å; Y86-A89 PolarHBondContact N-O 3.39Å; A89-Y91 HydrophobicContact CB-CE2 4.36Å; A89-Y91 WeakPolarHBondContact O-CD2 3.48Å; A89-Y91 WeakPolarHBondContact O-CE2 3.4Å; A89-Y91 PolarHBondContact O-N 3.31Å; A89-I253 HydrophobicContact CB-CD1 4.45Å; A89-F287 HydrophobicContact CB-CD2 4.22Å; A89-F287 HydrophobicContact CB-CE2 4.31Å
90I92.2Very high93.2Very high12 Ų1223.7 Ų23.76%0.06211%0.106CC..  trans-80.9111.9178.7-56.3177.8000109.9L88 K254 P392 S486L88-I90 PolarHBondContact O-N 2.95Å; I90-K254 HydrophobicContact CG2-CD 4.03Å; I90-K254 WeakPolarHBondContact O-CB 3.38Å; I90-K254 PolarHBondContact O-N 2.92Å; I90-P392 HydrophobicContact CG2-CB 4.34Å; I90-P392 HydrophobicContact CG2-CG 4.45Å; I90-S486 WeakPolarHBondContact CD1-OG 3.37Å
91Y93.6Very high93.4Very high9 Ų926.4 Ų26.44%0.03512%0.121CC..BIsolated β-bridgetrans-77.6156.9-178.2-59.8-74.8000114.4D85 Y86 A89 L95 F197 V245 Y252 I253 K254 F283D85-Y91 HydrophobicContact CB-CE2 4.19Å; D85-Y91 WeakPolarHBondContact OD1-CE2 3.44Å; D85-Y91 PolarHBondContact OD1-OH 3.48Å; Y86-Y91 AromaticContact CD1-CD2 3.78Å; Y86-Y91 HydrophobicContact CD1-CD2 3.78Å; Y86-Y91 AromaticContact CD2-CD2 3.98Å; Y86-Y91 HydrophobicContact CD2-CD2 3.98Å; Y86-Y91 HydrophobicContact CD2-CE2 4.31Å; Y86-Y91 AromaticContact CE1-CD2 3.66Å; Y86-Y91 HydrophobicContact CE1-CD2 3.66Å; Y86-Y91 HydrophobicContact CE1-CG 4.19Å; Y86-Y91 AromaticContact CE2-CD2 3.84Å; Y86-Y91 HydrophobicContact CE2-CD2 3.84Å; Y86-Y91 HydrophobicContact CE2-CE2 4.35Å; Y86-Y91 AromaticContact CG-CD2 3.95Å; Y86-Y91 HydrophobicContact CG-CD2 3.95Å; Y86-Y91 AromaticContact CZ-CD2 3.68Å; A89-Y91 HydrophobicContact CB-CE2 4.36Å; A89-Y91 WeakPolarHBondContact O-CD2 3.48Å; A89-Y91 WeakPolarHBondContact O-CE2 3.4Å; A89-Y91 PolarHBondContact O-N 3.31Å; Y91-L95 HydrophobicContact CD1-CD2 3.47Å; Y91-L95 VanDerWaalsContact CD1-CD2 3.47Å; Y91-L95 HydrophobicContact CD2-CD2 3.71Å; Y91-L95 HydrophobicContact CE1-CD2 4Å; Y91-L95 HydrophobicContact CE2-CD2 4.21Å; Y91-L95 HydrophobicContact CG-CD2 3.3Å; Y91-F197 HydrophobicContact CE2-CZ 4.33Å; Y91-V245 HydrophobicContact CE1-CG1 4.28Å; Y91-Y252 CarbonylContact C-O 3.4Å; Y91-Y252 VanDerWaalsContact CA-O 3.27Å; Y91-Y252 WeakPolarHBondContact CA-O 3.48Å; Y91-I253 HydrophobicContact CD1-CG1 3.81Å; Y91-I253 HydrophobicContact CE1-CD1 3.93Å; Y91-I253 HydrophobicContact CE1-CG1 3.7Å; Y91-K254 WeakPolarHBondContact O-CE 3.47Å; Y91-F283 HydrophobicContact CE1-CZ 4.3Å; Y91-F283 WeakPolarHBondContact OH-CE1 3.42Å; Y91-F283 VanDerWaalsContact OH-CZ 3.23Å; Y91-F283 WeakPolarHBondContact OH-CZ 3.16Å
92R94.1Very high93.7Very high111 Ų11128.2 Ų28.242%0.41913%0.13SC..  trans-86.8156.4168.9-67.5178.5174.3-79.91.1109.2S94 L95 A250 G251 Y252 K254R92-S94 WeakPolarHBondContact CB-OG 3.33Å; R92-S94 PolarHBondContact O-N 3.48Å; R92-L95 WeakPolarHBondContact O-CB 3.34Å; R92-L95 PolarHBondContact O-N 3.05Å; R92-A250 PolarHBondContact NE-O 3.34Å; R92-A250 VanDerWaalsContact NE-O 3.16Å; R92-G251 VanDerWaalsContact CD-O 3.25Å; R92-G251 WeakPolarHBondContact CD-O 3.27Å; R92-Y252 PolarHBondContact N-O 2.83Å; R92-K254 HydrophobicContact CG-CG 3.58Å
93K92.1Very high94Very high116 Ų11628.3 Ų28.350%0.50413%0.131SC..THydrogen-bonded Turntrans-58.2-22.3177.8-67.8-173.3174-175.10113.9L95 N96 E125K93-L95 PolarHBondContact O-N 3.24Å; K93-N96 PolarHBondContact O-N 3.42Å; K93-E125 IonicContact NZ-OE1 2.78Å; K93-E125 PolarHBondContact NZ-OE1 2.97Å
94S94.8Very high94.3Very high48 Ų4827.8 Ų27.834%0.33613%0.128SC..Hα-helixtrans-57.5-29.8173.542.70000112.8R92 R97 L98 G251R92-S94 WeakPolarHBondContact CB-OG 3.33Å; R92-S94 PolarHBondContact O-N 3.48Å; S94-R97 PolarHBondContact O-N 3.08Å; S94-L98 PolarHBondContact O-N 3.12Å; S94-L98 VanDerWaalsContact O-N 3.14Å; S94-G251 PolarHBondContact OG-O 2.82Å
95L95.6Very high94.7Very high0 Ų031.2 Ų31.20%015%0.147CC..Hα-helixtrans-63.2-44.8177.1-179.662.8000111.3Y91 R92 K93 R97 L98 I99 F197 M241 V245 Y252Y91-L95 HydrophobicContact CD1-CD2 3.47Å; Y91-L95 VanDerWaalsContact CD1-CD2 3.47Å; Y91-L95 HydrophobicContact CD2-CD2 3.71Å; Y91-L95 HydrophobicContact CE1-CD2 4Å; Y91-L95 HydrophobicContact CE2-CD2 4.21Å; Y91-L95 HydrophobicContact CG-CD2 3.3Å; R92-L95 WeakPolarHBondContact O-CB 3.34Å; R92-L95 PolarHBondContact O-N 3.05Å; K93-L95 PolarHBondContact O-N 3.24Å; L95-R97 VanDerWaalsContact C-N 3.31Å; L95-R97 PolarHBondContact O-N 2.54Å; L95-L98 HydrophobicContact CD1-CD2 4.29Å; L95-L98 WeakPolarHBondContact O-CB 3.35Å; L95-L98 PolarHBondContact O-N 3.49Å; L95-I99 HydrophobicContact CD1-CD1 4.2Å; L95-I99 HydrophobicContact CD1-CG1 4.26Å; L95-I99 HydrophobicContact CD2-CD1 4.36Å; L95-I99 HydrophobicContact CG-CD1 3.88Å; L95-I99 HydrophobicContact CG-CG1 4.35Å; L95-I99 WeakPolarHBondContact O-CG1 3.41Å; L95-I99 PolarHBondContact O-N 3.18Å; L95-F197 HydrophobicContact CD2-CE1 4.2Å; L95-M241 HydrophobicContact CD1-CG 3.88Å; L95-M241 HydrophobicContact CD1-SD 4.24Å; L95-V245 HydrophobicContact CD1-CG2 3.71Å; L95-Y252 HydrophobicContact CB-CD1 4.16Å; L95-Y252 HydrophobicContact CD1-CD1 4.39Å
96N95.4Very high95Very high15 Ų1532.8 Ų32.88%0.0815%0.151CC..Hα-helixtrans-59.8-43.1-179.5-61.723000111Y86 K93 L98 I99 Y100 Y122 P200Y86-N96 PolarHBondContact OH-OD1 3.43Å; K93-N96 PolarHBondContact O-N 3.42Å; N96-L98 VanDerWaalsContact C-N 3.32Å; N96-L98 PolarHBondContact O-N 3.36Å; N96-I99 PolarHBondContact O-N 2.9Å; N96-Y100 WeakPolarHBondContact O-CB 3.35Å; N96-Y100 PolarHBondContact O-N 2.88Å; N96-Y122 HydrophobicContact CB-CE1 3.76Å; N96-P200 WeakPolarHBondContact O-CB 3.47Å
97R96.3Very high95.2Very high109 Ų10932.3 Ų32.341%0.41115%0.15SC..Hα-helixtrans-62.7-38.6175.7-171.8173-175.6-88.34.7112.1S94 L95 L101 D121 Y122S94-R97 PolarHBondContact O-N 3.08Å; L95-R97 VanDerWaalsContact C-N 3.31Å; L95-R97 PolarHBondContact O-N 2.54Å; R97-L101 HydrophobicContact CG-CD1 4.21Å; R97-L101 HydrophobicContact CG-CG 4.5Å; R97-L101 VanDerWaalsContact O-CG 3.28Å; R97-L101 WeakPolarHBondContact O-CG 3.27Å; R97-L101 PolarHBondContact O-N 3.17Å; R97-D121 IonicContact CZ-OD1 3.97Å; R97-D121 IonicContact CZ-OD2 3.79Å; R97-D121 IonicContact NE-OD1 2.67Å; R97-D121 PolarHBondContact NE-OD1 2.99Å; R97-D121 IonicContact NE-OD2 3.69Å; R97-D121 PolarHBondContact NE-OD2 3.45Å; R97-D121 VanDerWaalsContact NE-OD2 3.15Å; R97-D121 VanDerWaalsContact NH2-CG 3.28Å; R97-D121 IonicContact NH2-OD1 3.98Å; R97-D121 PolarHBondContact NH2-OD1 3.39Å; R97-D121 VanDerWaalsContact NH2-OD1 3.13Å; R97-D121 IonicContact NH2-OD2 2.85Å; R97-D121 PolarHBondContact NH2-OD2 3.16Å; R97-Y122 HydrophobicContact CB-CD1 3.96Å; R97-Y122 HydrophobicContact CG-CD1 4.4Å
98L96.6Very high95.4Very high29 Ų2932.4 Ų32.415%0.15215%0.15CC..Hα-helixtrans-61.8-50.8175172.567.7000111.1S94 L95 N96 Y100 L101 L102 A244 Y252S94-L98 PolarHBondContact O-N 3.12Å; S94-L98 VanDerWaalsContact O-N 3.14Å; L95-L98 HydrophobicContact CD1-CD2 4.29Å; L95-L98 WeakPolarHBondContact O-CB 3.35Å; L95-L98 PolarHBondContact O-N 3.49Å; N96-L98 VanDerWaalsContact C-N 3.32Å; N96-L98 PolarHBondContact O-N 3.36Å; L98-Y100 VanDerWaalsContact C-N 3.3Å; L98-Y100 PolarHBondContact O-N 2.97Å; L98-L101 PolarHBondContact O-N 3.31Å; L98-L102 HydrophobicContact CD1-CD1 3.86Å; L98-L102 HydrophobicContact CD1-CG 4.07Å; L98-L102 HydrophobicContact CG-CD1 3.92Å; L98-L102 HydrophobicContact CG-CG 4.46Å; L98-L102 WeakPolarHBondContact O-CG 3.38Å; L98-L102 PolarHBondContact O-N 3.08Å; L98-A244 HydrophobicContact CD1-CB 4.42Å; L98-A244 HydrophobicContact CD2-CB 3.57Å; L98-Y252 HydrophobicContact CB-CE1 4.05Å; L98-Y252 HydrophobicContact CD2-CE1 3.96Å; L98-Y252 HydrophobicContact CD2-CE2 4.48Å
99I96.8Very high95.6Very high0 Ų035 Ų350%017%0.169CC..Hα-helixtrans-58.8-45.4179.5-65.2171000110.2L95 N96 L101 L102 A103 F197 P200 T232 V235 M241L95-I99 HydrophobicContact CD1-CD1 4.2Å; L95-I99 HydrophobicContact CD1-CG1 4.26Å; L95-I99 HydrophobicContact CD2-CD1 4.36Å; L95-I99 HydrophobicContact CG-CD1 3.88Å; L95-I99 HydrophobicContact CG-CG1 4.35Å; L95-I99 WeakPolarHBondContact O-CG1 3.41Å; L95-I99 PolarHBondContact O-N 3.18Å; N96-I99 PolarHBondContact O-N 2.9Å; I99-L101 PolarHBondContact O-N 2.76Å; I99-L102 PolarHBondContact O-N 3.4Å; I99-A103 WeakPolarHBondContact O-CB 2.96Å; I99-A103 PolarHBondContact O-N 3.3Å; I99-F197 HydrophobicContact CD1-CD1 3.71Å; I99-F197 HydrophobicContact CD1-CE1 4.08Å; I99-P200 HydrophobicContact CB-CB 4.16Å; I99-P200 HydrophobicContact CB-CG 3.91Å; I99-P200 HydrophobicContact CD1-CG 4.48Å; I99-P200 HydrophobicContact CG2-CB 4.01Å; I99-P200 HydrophobicContact CG2-CG 3.6Å; I99-T232 HydrophobicContact CG2-CG2 4.03Å; I99-V235 HydrophobicContact CG2-CG1 4.45Å; I99-M241 HydrophobicContact CD1-SD 3.83Å; I99-M241 HydrophobicContact CG1-CG 4.33Å; I99-M241 HydrophobicContact CG1-SD 4.12Å
100Y97.6Very high95.8Very high1 Ų139.6 Ų39.60%0.00419%0.193CC..Hα-helixtrans-53.8-52.1175.4175.6-83.7000111.9N96 L98 L102 A103 L104 Y122 L204 N207N96-Y100 WeakPolarHBondContact O-CB 3.35Å; N96-Y100 PolarHBondContact O-N 2.88Å; L98-Y100 VanDerWaalsContact C-N 3.3Å; L98-Y100 PolarHBondContact O-N 2.97Å; Y100-L102 PolarHBondContact O-N 2.94Å; Y100-A103 PolarHBondContact O-N 3.24Å; Y100-L104 HydrophobicContact CE1-CB 4.44Å; Y100-L104 HydrophobicContact CE1-CD2 3.88Å; Y100-L104 WeakPolarHBondContact O-CB 3.24Å; Y100-L104 PolarHBondContact O-N 3.17Å; Y100-Y122 AromaticContact CD2-CD2 3.46Å; Y100-Y122 HydrophobicContact CD2-CD2 3.46Å; Y100-Y122 VanDerWaalsContact CD2-CD2 3.46Å; Y100-Y122 HydrophobicContact CD2-CE2 4.34Å; Y100-Y122 HydrophobicContact CD2-CG 4.05Å; Y100-Y122 HydrophobicContact CE2-CD2 4.07Å; Y100-Y122 AromaticContact CG-CD2 3.85Å; Y100-Y122 HydrophobicContact CG-CD2 3.85Å; Y100-Y122 AromaticContact CG-CG 3.98Å; Y100-Y122 HydrophobicContact CG-CG 3.98Å; Y100-L204 HydrophobicContact CD2-CB 3.89Å; Y100-L204 VanDerWaalsContact CE2-CA 3.45Å; Y100-L204 HydrophobicContact CE2-CB 3.72Å; Y100-L204 HydrophobicContact CE2-CD1 3.87Å; Y100-L204 HydrophobicContact CE2-CG 4.37Å; Y100-N207 PolarHBondContact OH-ND2 3.01Å
101L97.2Very high95.9Very high59 Ų5942.4 Ų42.431%0.30920%0.204SC..Hα-helixtrans-65.8-39.4-177.3-70.2172.3000112.2R97 L98 I99 N105R97-L101 HydrophobicContact CG-CD1 4.21Å; R97-L101 HydrophobicContact CG-CG 4.5Å; R97-L101 VanDerWaalsContact O-CG 3.28Å; R97-L101 WeakPolarHBondContact O-CG 3.27Å; R97-L101 PolarHBondContact O-N 3.17Å; L98-L101 PolarHBondContact O-N 3.31Å; I99-L101 PolarHBondContact O-N 2.76Å; L101-N105 WeakPolarHBondContact O-CB 3.14Å; L101-N105 VanDerWaalsContact O-CG 3.24Å; L101-N105 PolarHBondContact O-N 2.65Å; L101-N105 PolarHBondContact O-ND2 3.5Å; L101-N105 VanDerWaalsContact O-ND2 3.14Å
102L96.9Very high96Very high38 Ų3849.9 Ų49.920%0.19924%0.237CC..Hα-helixtrans-65.6-41.8176.3-67.5173.8000111.4L98 I99 Y100 R106 V235 D240L98-L102 HydrophobicContact CD1-CD1 3.86Å; L98-L102 HydrophobicContact CD1-CG 4.07Å; L98-L102 HydrophobicContact CG-CD1 3.92Å; L98-L102 HydrophobicContact CG-CG 4.46Å; L98-L102 WeakPolarHBondContact O-CG 3.38Å; L98-L102 PolarHBondContact O-N 3.08Å; I99-L102 PolarHBondContact O-N 3.4Å; Y100-L102 PolarHBondContact O-N 2.94Å; L102-R106 WeakPolarHBondContact O-CG 3.47Å; L102-R106 PolarHBondContact O-N 3.25Å; L102-R106 VanDerWaalsContact O-N 3.16Å; L102-V235 HydrophobicContact CB-CB 4.44Å; L102-V235 HydrophobicContact CB-CG1 3.93Å; L102-V235 HydrophobicContact CB-CG2 3.62Å; L102-V235 HydrophobicContact CD1-CG1 3.69Å; L102-V235 HydrophobicContact CG-CG1 4.48Å; L102-D240 HydrophobicContact CD1-CB 4.05Å
103A97.3Very high96.1Very high1 Ų145.9 Ų45.91%0.00822%0.221CC..Hα-helixtrans-67.2-4417700000111.8I99 Y100 N105 R106 L107 L204 V235I99-A103 WeakPolarHBondContact O-CB 2.96Å; I99-A103 PolarHBondContact O-N 3.3Å; Y100-A103 PolarHBondContact O-N 3.24Å; A103-N105 VanDerWaalsContact C-N 3.35Å; A103-N105 PolarHBondContact O-N 2.64Å; A103-R106 WeakPolarHBondContact O-CB 3.21Å; A103-R106 PolarHBondContact O-N 3.3Å; A103-R106 VanDerWaalsContact O-N 3.08Å; A103-L107 PolarHBondContact O-N 3.16Å; A103-L204 HydrophobicContact CB-CD2 3.62Å; A103-V235 HydrophobicContact CB-CG2 4.14Å
104L97.7Very high96.4Very high4 Ų442 Ų422%0.02121%0.209CC..Hα-helixtrans-58.4-46175.1174.858.1000111.5Y100 R106 L107 V108 L117 K118 L204Y100-L104 HydrophobicContact CE1-CB 4.44Å; Y100-L104 HydrophobicContact CE1-CD2 3.88Å; Y100-L104 WeakPolarHBondContact O-CB 3.24Å; Y100-L104 PolarHBondContact O-N 3.17Å; L104-R106 PolarHBondContact O-N 3.22Å; L104-L107 PolarHBondContact O-N 3.34Å; L104-V108 HydrophobicContact CD1-CG2 4.07Å; L104-V108 WeakPolarHBondContact O-CG2 3.47Å; L104-V108 PolarHBondContact O-N 2.9Å; L104-L117 HydrophobicContact CD1-CB 3.8Å; L104-K118 HydrophobicContact CD2-CG 4.3Å; L104-K118 HydrophobicContact CG-CG 4.45Å; L104-L204 HydrophobicContact CB-CD1 4Å; L104-L204 HydrophobicContact CB-CD2 4.48Å; L104-L204 HydrophobicContact CD1-CD1 3.92Å; L104-L204 HydrophobicContact CG-CD1 4.46Å
105N97Very high96.4Very high75 Ų7544.9 Ų44.940%0.40122%0.216SC..Hα-helixtrans-59.6-35.8176.3-76.7-30.5000112.1L101 A103 S109 K118L101-N105 WeakPolarHBondContact O-CB 3.14Å; L101-N105 VanDerWaalsContact O-CG 3.24Å; L101-N105 PolarHBondContact O-N 2.65Å; L101-N105 PolarHBondContact O-ND2 3.5Å; L101-N105 VanDerWaalsContact O-ND2 3.14Å; A103-N105 VanDerWaalsContact C-N 3.35Å; A103-N105 PolarHBondContact O-N 2.64Å; N105-S109 VanDerWaalsContact O-CB 3.28Å; N105-S109 WeakPolarHBondContact O-CB 3.36Å; N105-S109 PolarHBondContact O-N 2.84Å; N105-S109 PolarHBondContact O-OG 3.18Å; N105-K118 WeakPolarHBondContact OD1-CE 3.28Å
106R95.9Very high96.5Very high46 Ų4650.1 Ų50.117%0.17424%0.241CC..Hα-helixtrans-69.7-40.9175.5-72.1173.1179.9-80.9-4.4112.3L102 A103 L104 N110 A231 S238 D240L102-R106 WeakPolarHBondContact O-CG 3.47Å; L102-R106 PolarHBondContact O-N 3.25Å; L102-R106 VanDerWaalsContact O-N 3.16Å; A103-R106 WeakPolarHBondContact O-CB 3.21Å; A103-R106 PolarHBondContact O-N 3.3Å; A103-R106 VanDerWaalsContact O-N 3.08Å; L104-R106 PolarHBondContact O-N 3.22Å; R106-N110 VanDerWaalsContact O-CB 3.22Å; R106-N110 WeakPolarHBondContact O-CB 3.45Å; R106-N110 PolarHBondContact O-N 3.3Å; R106-A231 HydrophobicContact CB-CB 4.11Å; R106-A231 WeakPolarHBondContact CD-O 3.47Å; R106-S238 VanDerWaalsContact NH2-CB 3.28Å; R106-S238 PolarHBondContact NH2-OG 3.21Å; R106-D240 IonicContact CZ-OD2 3.69Å; R106-D240 IonicContact NH2-OD2 3.78Å; R106-D240 PolarHBondContact NH2-OD2 2.96Å
107L96.7Very high96.6Very high0 Ų049.5 Ų49.50%024%0.237CC..Hα-helixtrans-59.2-48.2174.2-72.7175.7000111.6A103 L104 Y111 K112 Y113 L204 D227 V228 A231A103-L107 PolarHBondContact O-N 3.16Å; L104-L107 PolarHBondContact O-N 3.34Å; L107-Y111 HydrophobicContact CD2-CD2 4.15Å; L107-Y111 HydrophobicContact CD2-CG 4.49Å; L107-Y111 CarbonylContact O-C 3.51Å; L107-Y111 WeakPolarHBondContact O-CA 3.29Å; L107-Y111 VanDerWaalsContact O-CB 3.28Å; L107-Y111 WeakPolarHBondContact O-CB 3.22Å; L107-Y111 PolarHBondContact O-N 3.02Å; L107-K112 PolarHBondContact O-N 3Å; L107-K112 VanDerWaalsContact O-N 3.13Å; L107-Y113 HydrophobicContact CB-CD2 4.28Å; L107-Y113 HydrophobicContact CB-CG 4.21Å; L107-Y113 HydrophobicContact CD2-CD2 4.37Å; L107-Y113 HydrophobicContact CD2-CE2 4.25Å; L107-Y113 PolarHBondContact O-N 3.23Å; L107-L204 HydrophobicContact CD1-CD1 4.07Å; L107-L204 HydrophobicContact CD1-CD2 3.62Å; L107-L204 HydrophobicContact CD1-CG 3.83Å; L107-D227 HydrophobicContact CD2-CB 4.07Å; L107-V228 HydrophobicContact CD1-CG2 3.83Å; L107-V228 HydrophobicContact CD2-CG2 4.38Å; L107-A231 HydrophobicContact CD2-CB 3.72Å; L107-A231 HydrophobicContact CG-CB 3.78Å
108V97.4Very high96.6Very high4 Ų448.8 Ų48.82%0.02424%0.238CC..Hα-helixtrans-66.8-46.4-179175.70000111.3L104 K112 E115 K118L104-V108 HydrophobicContact CD1-CG2 4.07Å; L104-V108 WeakPolarHBondContact O-CG2 3.47Å; L104-V108 PolarHBondContact O-N 2.9Å; V108-K112 VanDerWaalsContact O-CA 3.28Å; V108-K112 WeakPolarHBondContact O-CA 3.25Å; V108-K112 PolarHBondContact O-N 3.14Å; V108-E115 HydrophobicContact CG1-CG 3.9Å; V108-E115 WeakPolarHBondContact CG1-OE1 3.35Å; V108-K118 HydrophobicContact CG2-CG 4.5Å
109S95.7Very high96.5Very high58 Ų5852.3 Ų52.341%0.40627%0.265SS..Hα-helixtrans-74.4-46.5-176.255.60000114N105 K112N105-S109 VanDerWaalsContact O-CB 3.28Å; N105-S109 WeakPolarHBondContact O-CB 3.36Å; N105-S109 PolarHBondContact O-N 2.84Å; N105-S109 PolarHBondContact O-OG 3.18Å; S109-K112 PolarHBondContact O-NZ 3.14Å
110N94.9Very high96.4Very high97 Ų9754.9 Ų54.952%0.51928%0.28SS..Hα-helixtrans-89.8-38.8-172.4-62.1-7.4000112.5R106R106-N110 VanDerWaalsContact O-CB 3.22Å; R106-N110 WeakPolarHBondContact O-CB 3.45Å; R106-N110 PolarHBondContact O-N 3.3Å
111Y94.4Very high96.2Very high71 Ų7158.6 Ų58.628%0.27830%0.3SS..Hα-helixtrans-103.1-2-175.7-63.2-96.9000113.4L107 Y113 D227 H230L107-Y111 HydrophobicContact CD2-CD2 4.15Å; L107-Y111 HydrophobicContact CD2-CG 4.49Å; L107-Y111 CarbonylContact O-C 3.51Å; L107-Y111 WeakPolarHBondContact O-CA 3.29Å; L107-Y111 VanDerWaalsContact O-CB 3.28Å; L107-Y111 WeakPolarHBondContact O-CB 3.22Å; L107-Y111 PolarHBondContact O-N 3.02Å; Y111-Y113 HydrophobicContact CG-CE2 4.43Å; Y111-Y113 PolarHBondContact O-N 3.47Å; Y111-D227 HydrophobicContact CD1-CB 4.17Å; Y111-D227 WeakPolarHBondContact CD1-OD1 3.33Å; Y111-D227 HydrophobicContact CE1-CB 4.19Å; Y111-D227 WeakPolarHBondContact CE1-OD1 3.29Å; Y111-H230 AromaticContact CZ-ND1 3.93Å; Y111-H230 PolarHBondContact OH-ND1 3.46Å
112K95.5Very high96.2Very high166 Ų16656.7 Ų56.772%0.72229%0.289SS*.  trans6032.1178-51.3-54.1-176.2-164.70113.7L107 V108 S109L107-K112 PolarHBondContact O-N 3Å; L107-K112 VanDerWaalsContact O-N 3.13Å; V108-K112 VanDerWaalsContact O-CA 3.28Å; V108-K112 WeakPolarHBondContact O-CA 3.25Å; V108-K112 PolarHBondContact O-N 3.14Å; S109-K112 PolarHBondContact O-NZ 3.14Å
113Y97Very high96.2Very high26 Ų2657.1 Ų57.110%0.10229%0.291CS..  trans-62.4151.8168.7-82-114.2000110.3L107 Y111 E115 L117 V208 F212 L224 D227L107-Y113 HydrophobicContact CB-CD2 4.28Å; L107-Y113 HydrophobicContact CB-CG 4.21Å; L107-Y113 HydrophobicContact CD2-CD2 4.37Å; L107-Y113 HydrophobicContact CD2-CE2 4.25Å; L107-Y113 PolarHBondContact O-N 3.23Å; Y111-Y113 HydrophobicContact CG-CE2 4.43Å; Y111-Y113 PolarHBondContact O-N 3.47Å; Y113-E115 PolarHBondContact O-N 2.99Å; Y113-L117 HydrophobicContact CD1-CD1 4.18Å; Y113-V208 HydrophobicContact CD1-CG1 3.91Å; Y113-V208 HydrophobicContact CE1-CG1 3.75Å; Y113-F212 AromaticContact CD1-CZ 3.78Å; Y113-F212 HydrophobicContact CD1-CZ 3.78Å; Y113-F212 AromaticContact CE1-CE2 3.97Å; Y113-F212 HydrophobicContact CE1-CE2 3.97Å; Y113-F212 AromaticContact CE1-CZ 3.59Å; Y113-F212 HydrophobicContact CE1-CZ 3.59Å; Y113-L224 HydrophobicContact CE1-CD1 3.62Å; Y113-L224 WeakPolarHBondContact OH-CD1 3.39Å; Y113-D227 HydrophobicContact CE2-CB 4.28Å; Y113-D227 WeakPolarHBondContact CE2-OD2 3.07Å; Y113-D227 PolarHBondContact OH-OD2 3.35Å
114P96.9Very high96Very high36 Ų3659.9 Ų59.923%0.23431%0.309CS..  trans-54134.2-175.7-28.737.1000113.6E116 L117 Y211 F212P114-E116 WeakPolarHBondContact CB-OE2 3.3Å; P114-E116 PolarHBondContact O-N 2.98Å; P114-L117 WeakPolarHBondContact O-CB 3.1Å; P114-L117 WeakPolarHBondContact O-CG 3.32Å; P114-L117 PolarHBondContact O-N 3.03Å; P114-Y211 HydrophobicContact CB-CE1 3.68Å; P114-Y211 HydrophobicContact CG-CD1 4.33Å; P114-Y211 HydrophobicContact CG-CE1 3.56Å; P114-F212 HydrophobicContact CG-CE1 4.35Å
115E96.7Very high95.8Very high107 Ų10762.7 Ų62.750%0.532%0.322SS..G310 helixtrans-64.6-28-179.4-78.8-75.9168.200111.8V108 Y113 L117 K118V108-E115 HydrophobicContact CG1-CG 3.9Å; V108-E115 WeakPolarHBondContact CG1-OE1 3.35Å; Y113-E115 PolarHBondContact O-N 2.99Å; E115-L117 PolarHBondContact O-N 3.45Å; E115-L117 VanDerWaalsContact O-N 3.14Å; E115-K118 WeakPolarHBondContact O-CB 3.32Å; E115-K118 PolarHBondContact O-N 3.23Å; E115-K118 IonicContact OE1-NZ 2.77Å; E115-K118 PolarHBondContact OE1-NZ 2.87Å; E115-K118 WeakPolarHBondContact OE2-CD 3.26Å; E115-K118 VanDerWaalsContact OE2-CE 3.26Å; E115-K118 WeakPolarHBondContact OE2-CE 3.36Å; E115-K118 IonicContact OE2-NZ 2.71Å; E115-K118 PolarHBondContact OE2-NZ 3.4Å
116E96.5Very high95.7Very high111 Ų11159.3 Ų59.352%0.51930%0.304SS..G310 helixtrans-56.7-26.9176.9-65.179-176.200112.4P114 K118 S119 Y211P114-E116 WeakPolarHBondContact CB-OE2 3.3Å; P114-E116 PolarHBondContact O-N 2.98Å; E116-K118 PolarHBondContact O-N 3.41Å; E116-K118 VanDerWaalsContact O-N 3.14Å; E116-S119 VanDerWaalsContact O-CB 3.3Å; E116-S119 WeakPolarHBondContact O-CB 3.41Å; E116-S119 PolarHBondContact O-N 3.12Å; E116-S119 PolarHBondContact O-OG 3.3Å; E116-Y211 HydrophobicContact CB-CE2 3.61Å; E116-Y211 HydrophobicContact CG-CE2 4.46Å
117L96.6Very high95.7Very high1 Ų157.8 Ų57.81%0.00530%0.301CS..G310 helixtrans-57.7-27.1174.8-71.4166.2000112.5L104 Y113 P114 E115 S119 V120 V208 Y211L104-L117 HydrophobicContact CD1-CB 3.8Å; Y113-L117 HydrophobicContact CD1-CD1 4.18Å; P114-L117 WeakPolarHBondContact O-CB 3.1Å; P114-L117 WeakPolarHBondContact O-CG 3.32Å; P114-L117 PolarHBondContact O-N 3.03Å; E115-L117 PolarHBondContact O-N 3.45Å; E115-L117 VanDerWaalsContact O-N 3.14Å; L117-S119 PolarHBondContact O-N 3.22Å; L117-V120 PolarHBondContact O-N 3.22Å; L117-V208 HydrophobicContact CD1-CG2 4.06Å; L117-V208 HydrophobicContact CD2-CB 4.49Å; L117-V208 HydrophobicContact CD2-CG2 4.08Å; L117-Y211 VanDerWaalsContact CD2-CB 3.48Å; L117-Y211 HydrophobicContact CD2-CD1 4.12Å; L117-Y211 HydrophobicContact CD2-CD2 4.1Å; L117-Y211 HydrophobicContact CD2-CG 3.62Å; L117-Y211 HydrophobicContact CG-CD1 4.44Å; L117-Y211 HydrophobicContact CG-CG 4.24Å
118K96.4Very high95.6Very high95 Ų9558.9 Ų58.941%0.41331%0.308SS..G310 helixtrans-66.6-15176.1-66178179.6162.80113.5L104 N105 V108 E115 E116 V120L104-K118 HydrophobicContact CD2-CG 4.3Å; L104-K118 HydrophobicContact CG-CG 4.45Å; N105-K118 WeakPolarHBondContact OD1-CE 3.28Å; V108-K118 HydrophobicContact CG2-CG 4.5Å; E115-K118 WeakPolarHBondContact O-CB 3.32Å; E115-K118 PolarHBondContact O-N 3.23Å; E115-K118 IonicContact OE1-NZ 2.77Å; E115-K118 PolarHBondContact OE1-NZ 2.87Å; E115-K118 WeakPolarHBondContact OE2-CD 3.26Å; E115-K118 VanDerWaalsContact OE2-CE 3.26Å; E115-K118 WeakPolarHBondContact OE2-CE 3.36Å; E115-K118 IonicContact OE2-NZ 2.71Å; E115-K118 PolarHBondContact OE2-NZ 3.4Å; E116-K118 PolarHBondContact O-N 3.41Å; E116-K118 VanDerWaalsContact O-N 3.14Å; K118-V120 VanDerWaalsContact C-N 3.33Å
119S95.3Very high95.4Very high103 Ų10358.9 Ų58.972%0.7231%0.308SS*.G310 helixtrans-77.7-18.2175.570.60000113.5E116 L117E116-S119 VanDerWaalsContact O-CB 3.3Å; E116-S119 WeakPolarHBondContact O-CB 3.41Å; E116-S119 PolarHBondContact O-N 3.12Å; E116-S119 PolarHBondContact O-OG 3.3Å; L117-S119 PolarHBondContact O-N 3.22Å
120V93.9Very high95.3Very high53 Ų5356.4 Ų56.432%0.32129%0.291SS..SBendtrans-98.7114.7-178.3-169.90000109.9L117 K118 N207L117-V120 PolarHBondContact O-N 3.22Å; K118-V120 VanDerWaalsContact C-N 3.33Å; V120-N207 HydrophobicContact CG1-CB 4.4Å; V120-N207 WeakPolarHBondContact CG1-ND2 3.46Å
121D95Very high95.3Very high79 Ų7951.8 Ų51.842%0.42227%0.267SS..  trans-77.8164.3179.4-156.1-0.5000112.5R97 N207R97-D121 IonicContact CZ-OD1 3.97Å; R97-D121 IonicContact CZ-OD2 3.79Å; R97-D121 IonicContact NE-OD1 2.67Å; R97-D121 PolarHBondContact NE-OD1 2.99Å; R97-D121 IonicContact NE-OD2 3.69Å; R97-D121 PolarHBondContact NE-OD2 3.45Å; R97-D121 VanDerWaalsContact NE-OD2 3.15Å; R97-D121 VanDerWaalsContact NH2-CG 3.28Å; R97-D121 IonicContact NH2-OD1 3.98Å; R97-D121 PolarHBondContact NH2-OD1 3.39Å; R97-D121 VanDerWaalsContact NH2-OD1 3.13Å; R97-D121 IonicContact NH2-OD2 2.85Å; R97-D121 PolarHBondContact NH2-OD2 3.16Å; D121-N207 PolarHBondContact O-ND2 2.59Å; D121-N207 VanDerWaalsContact O-ND2 3.14Å
122Y96.6Very high95.4Very high19 Ų1948.4 Ų48.48%0.07525%0.253CS..  trans-71.2125.3174.6175.4-115000111.8N96 R97 Y100 P124N96-Y122 HydrophobicContact CB-CE1 3.76Å; R97-Y122 HydrophobicContact CB-CD1 3.96Å; R97-Y122 HydrophobicContact CG-CD1 4.4Å; Y100-Y122 AromaticContact CD2-CD2 3.46Å; Y100-Y122 HydrophobicContact CD2-CD2 3.46Å; Y100-Y122 VanDerWaalsContact CD2-CD2 3.46Å; Y100-Y122 HydrophobicContact CD2-CE2 4.34Å; Y100-Y122 HydrophobicContact CD2-CG 4.05Å; Y100-Y122 HydrophobicContact CE2-CD2 4.07Å; Y100-Y122 AromaticContact CG-CD2 3.85Å; Y100-Y122 HydrophobicContact CG-CD2 3.85Å; Y100-Y122 AromaticContact CG-CG 3.98Å; Y100-Y122 HydrophobicContact CG-CG 3.98Å; Y122-P124 HydrophobicContact CD1-CB 4.33Å; Y122-P124 HydrophobicContact CE1-CB 3.78Å; Y122-P124 VanDerWaalsContact O-CD 3.24Å; Y122-P124 WeakPolarHBondContact O-CD 3.48Å
123D96.1Very high95.3Very high47 Ų4740.9 Ų40.925%0.25122%0.22SC..  trans-90.1103.6169.81785.4000110.4E125 F126 R458D123-E125 PolarHBondContact O-N 2.84Å; D123-E125 PolarHBondContact OD1-N 2.9Å; D123-F126 HydrophobicContact CB-CB 4.05Å; D123-F126 WeakPolarHBondContact O-CB 3.3Å; D123-F126 PolarHBondContact O-N 3.31Å; D123-F126 PolarHBondContact OD1-N 2.53Å; D123-R458 IonicContact OD2-CZ 2.65Å; D123-R458 IonicContact OD2-NH1 3.96Å; D123-R458 PolarHBondContact OD2-NH1 2.9Å; D123-R458 IonicContact OD2-NH2 3.13Å; D123-R458 PolarHBondContact OD2-NH2 3.29Å; D123-R458 VanDerWaalsContact OD2-NH2 3.09Å
124P93.8Very high95.2Very high60 Ų6039.7 Ų39.739%0.3922%0.216SC..THydrogen-bonded Turntrans-70-9.7-179.831.3-37.3000114.2Y122Y122-P124 HydrophobicContact CD1-CB 4.33Å; Y122-P124 HydrophobicContact CE1-CB 3.78Å; Y122-P124 VanDerWaalsContact O-CD 3.24Å; Y122-P124 WeakPolarHBondContact O-CD 3.48Å
125E93.7Very high95.1Very high63 Ų6338 Ų3829%0.29421%0.205SC..THydrogen-bonded Turntrans-105.79.3176.2-55-63.2124.700112.2K93 D123 K396 N456 R458K93-E125 IonicContact NZ-OE1 2.78Å; K93-E125 PolarHBondContact NZ-OE1 2.97Å; D123-E125 PolarHBondContact O-N 2.84Å; D123-E125 PolarHBondContact OD1-N 2.9Å; E125-K396 IonicContact OE2-NZ 3.23Å; E125-K396 PolarHBondContact OE2-NZ 2.87Å; E125-N456 PolarHBondContact O-ND2 3.32Å; E125-R458 PolarHBondContact O-NH1 3Å
126F95.4Very high94.8Very high3 Ų335 Ų351%0.01320%0.196CC..SBendtrans-66.9-67.5173.9177.2-111.5000112D123 L140 G157 K158 V202 A206 R458 F459D123-F126 HydrophobicContact CB-CB 4.05Å; D123-F126 WeakPolarHBondContact O-CB 3.3Å; D123-F126 PolarHBondContact O-N 3.31Å; D123-F126 PolarHBondContact OD1-N 2.53Å; F126-L140 HydrophobicContact CE1-CD2 3.87Å; F126-L140 HydrophobicContact CZ-CD2 4.09Å; F126-G157 WeakPolarHBondContact CZ-O 3.37Å; F126-K158 HydrophobicContact CD2-CG 4.02Å; F126-K158 HydrophobicContact CE2-CB 4.18Å; F126-K158 HydrophobicContact CE2-CG 3.72Å; F126-K158 HydrophobicContact CZ-CG 4.22Å; F126-V202 HydrophobicContact CD1-CG1 4.48Å; F126-V202 HydrophobicContact CE1-CG1 4.11Å; F126-A206 HydrophobicContact CD1-CB 4.02Å; F126-A206 HydrophobicContact CE1-CB 3.4Å; F126-A206 HydrophobicContact CZ-CB 3.73Å; F126-R458 VanDerWaalsContact CA-NH1 3.33Å; F126-F459 WeakPolarHBondContact O-CD2 3.47Å; F126-F459 VanDerWaalsContact O-CE2 3.23Å; F126-F459 WeakPolarHBondContact O-CE2 3.27Å
127A95.1Very high94.6Very high14 Ų1432.7 Ų32.712%0.11619%0.185CC..  trans-98.3159.7-175.500000112.5L131 L199 V202A127-L131 HydrophobicContact CB-CD1 4.17Å; A127-L199 HydrophobicContact CB-CD2 4.23Å; A127-V202 HydrophobicContact CB-CB 4.27Å; A127-V202 HydrophobicContact CB-CG1 3.73Å
128V94.8Very high94.5Very high24 Ų2432.7 Ų32.715%0.14519%0.185CC..  trans-124.9162.9169.7-61.40000109.2L131 N456 F459V128-L131 HydrophobicContact CG2-CD1 4.09Å; V128-L131 HydrophobicContact CG2-CD2 3.88Å; V128-L131 HydrophobicContact CG2-CG 3.89Å; V128-L131 WeakPolarHBondContact O-CD1 3.36Å; V128-L131 VanDerWaalsContact O-CG 3.26Å; V128-L131 WeakPolarHBondContact O-CG 3.48Å; V128-N456 HydrophobicContact CG1-CB 3.58Å; V128-F459 HydrophobicContact CG1-CB 4.49Å; V128-F459 HydrophobicContact CG2-CB 3.57Å; V128-F459 HydrophobicContact CG2-CD2 4.5Å; V128-F459 HydrophobicContact CG2-CG 4.19Å
129R93.7Very high94.5Very high4 Ų428.1 Ų28.12%0.01517%0.165CC..THydrogen-bonded Turntrans-66.4155173-164.716785.3146.7-1.3110.6H194 D370 E393 L462R129-H194 WeakPolarHBondContact CD-O 3.29Å; R129-H194 VanDerWaalsContact CG-O 3.26Å; R129-H194 WeakPolarHBondContact CG-O 3.29Å; R129-D370 PolarHBondContact NH1-O 2.81Å; R129-D370 IonicContact NH1-OD2 2.79Å; R129-E393 VanDerWaalsContact CB-OE1 3.29Å; R129-E393 WeakPolarHBondContact CB-OE1 3.28Å; R129-E393 VanDerWaalsContact CD-OE1 3.3Å; R129-E393 WeakPolarHBondContact CD-OE1 3.37Å; R129-E393 IonicContact CZ-OE1 2.66Å; R129-E393 IonicContact NE-OE1 3.42Å; R129-E393 PolarHBondContact NE-OE1 2.72Å; R129-E393 VanDerWaalsContact NE-OE1 3.14Å; R129-E393 IonicContact NE-OE2 3.34Å; R129-E393 IonicContact NH2-OE2 3.93Å; R129-L462 HydrophobicContact CB-CD1 3.98Å; R129-L462 WeakPolarHBondContact O-CD1 3.26Å
130G93Very high94.6Very high6 Ų623.4 Ų23.46%0.06213%0.132CC..THydrogen-bonded Turntrans80.713.6176.300000115.1L193G130-L193 PolarHBondContact N-O 3.45Å
131L95.4Very high94.8Very high0 Ų021 Ų210%012%0.117CC..EExtended strand (participates in β ladder)trans-78.1168.8171.5-62.2179.5000111.4A127 V128 L140 K142 L193 F459A127-L131 HydrophobicContact CB-CD1 4.17Å; V128-L131 HydrophobicContact CG2-CD1 4.09Å; V128-L131 HydrophobicContact CG2-CD2 3.88Å; V128-L131 HydrophobicContact CG2-CG 3.89Å; V128-L131 WeakPolarHBondContact O-CD1 3.36Å; V128-L131 VanDerWaalsContact O-CG 3.26Å; V128-L131 WeakPolarHBondContact O-CG 3.48Å; L131-L140 HydrophobicContact CB-CD1 3.78Å; L131-L140 HydrophobicContact CB-CG 4.45Å; L131-L140 HydrophobicContact CD1-CD1 3.98Å; L131-L140 HydrophobicContact CD1-CD2 3.83Å; L131-L140 HydrophobicContact CD1-CG 3.98Å; L131-K142 HydrophobicContact CD2-CB 3.66Å; L131-K142 HydrophobicContact CD2-CD 4.21Å; L131-K142 HydrophobicContact CD2-CG 3.94Å; L131-L193 HydrophobicContact CB-CB 4.41Å; L131-L193 HydrophobicContact CB-CD1 3.84Å; L131-L193 WeakPolarHBondContact O-CB 3.39Å; L131-L193 PolarHBondContact O-N 3.3Å; L131-F459 HydrophobicContact CD1-CD1 3.9Å; L131-F459 HydrophobicContact CD1-CD2 3.9Å; L131-F459 HydrophobicContact CD1-CE1 3.85Å; L131-F459 HydrophobicContact CD1-CE2 3.89Å; L131-F459 HydrophobicContact CD1-CG 3.93Å; L131-F459 HydrophobicContact CD1-CZ 3.88Å; L131-F459 HydrophobicContact CD2-CB 4.09Å; L131-F459 HydrophobicContact CD2-CD1 3.37Å; L131-F459 HydrophobicContact CD2-CE1 3.9Å; L131-F459 HydrophobicContact CD2-CG 3.76Å; L131-F459 HydrophobicContact CG-CD1 4.3Å; L131-F459 HydrophobicContact CG-CG 4.49Å
132H95.1Very high94.9Very high0 Ų017.4 Ų17.40%010%0.097CC..EExtended strand (participates in β ladder)trans-126.9137.9177.7-64.372.1000108.3L140 F141 T190 K191 Y471H132-L140 CarbonylContact O-C 3.56Å; H132-L140 WeakPolarHBondContact O-CA 3.28Å; H132-F141 HydrophobicContact CB-CD2 3.91Å; H132-F141 HydrophobicContact CB-CE2 3.5Å; H132-F141 VanDerWaalsContact CB-CE2 3.5Å; H132-F141 HydrophobicContact CB-CZ 3.84Å; H132-F141 PolarHBondContact N-O 2.77Å; H132-F141 PolarHBondContact O-N 2.85Å; H132-T190 HydrophobicContact CB-CG2 3.73Å; H132-K191 WeakPolarHBondContact CA-O 3.26Å; H132-Y471 AromaticContact CE1-CD1 3.74Å; H132-Y471 AromaticContact CE1-CG 3.91Å; H132-Y471 AromaticContact NE2-CD1 3.68Å; H132-Y471 AromaticContact NE2-CE1 3.76Å
133Y95.3Very high94.8Very high8 Ų816.5 Ų16.53%0.0319%0.094CC..EExtended strand (participates in β ladder)trans-121115.4178.4-175.6-95000109.5V135 G138 I139 L140 T190 K191 L205 F225Y133-V135 HydrophobicContact CD1-CG2 4.09Å; Y133-V135 HydrophobicContact CE1-CG2 4.48Å; Y133-V135 PolarHBondContact O-N 3.39Å; Y133-G138 WeakPolarHBondContact OH-CA 3.33Å; Y133-I139 CarbonylContact C-O 3.57Å; Y133-I139 WeakPolarHBondContact CA-O 3.25Å; Y133-L140 HydrophobicContact CD2-CB 4.18Å; Y133-L140 HydrophobicContact CD2-CD1 4.28Å; Y133-T190 CarbonylContact O-C 3.31Å; Y133-T190 VanDerWaalsContact O-CA 3.3Å; Y133-T190 WeakPolarHBondContact O-CA 3.33Å; Y133-K191 PolarHBondContact N-O 3.29Å; Y133-K191 PolarHBondContact O-N 2.97Å; Y133-L205 HydrophobicContact CE1-CD1 4.37Å; Y133-L205 HydrophobicContact CE2-CD1 4.36Å; Y133-F225 AromaticContact CD1-CD2 3.66Å; Y133-F225 HydrophobicContact CD1-CD2 3.66Å; Y133-F225 AromaticContact CD1-CE2 3.94Å; Y133-F225 HydrophobicContact CD1-CE2 3.94Å; Y133-F225 HydrophobicContact CD1-CG 4.49Å; Y133-F225 HydrophobicContact CE1-CB 4.18Å; Y133-F225 AromaticContact CE1-CD2 3.49Å; Y133-F225 HydrophobicContact CE1-CD2 3.49Å; Y133-F225 VanDerWaalsContact CE1-CD2 3.49Å; Y133-F225 HydrophobicContact CE1-CE2 4.24Å; Y133-F225 HydrophobicContact CE1-CG 4.1Å
134D94.7Very high94.8Very high0 Ų014.9 Ų14.90%09%0.085CC..EExtended strand (participates in β ladder)trans-75.3109.7169.6-174.5-35.7000108.3S136 E137 G138 I139 F141 Y170 R189D134-S136 VanDerWaalsContact C-N 3.3Å; D134-S136 PolarHBondContact O-N 3.47Å; D134-S136 WeakPolarHBondContact OD1-CA 3.46Å; D134-S136 WeakPolarHBondContact OD1-CB 3.32Å; D134-S136 PolarHBondContact OD1-N 3.44Å; D134-S136 PolarHBondContact OD1-OG 2.96Å; D134-E137 HydrophobicContact CB-CB 4.24Å; D134-E137 PolarHBondContact O-N 3Å; D134-E137 PolarHBondContact OD1-N 3.01Å; D134-G138 WeakPolarHBondContact O-CA 3.43Å; D134-G138 PolarHBondContact O-N 3.21Å; D134-I139 PolarHBondContact N-O 3.03Å; D134-I139 PolarHBondContact O-N 2.88Å; D134-F141 HydrophobicContact CB-CE1 4.02Å; D134-Y170 WeakPolarHBondContact CB-OH 3.23Å; D134-Y170 WeakPolarHBondContact OD2-CE1 3.13Å; D134-R189 IonicContact OD1-NE 3.66Å; D134-R189 IonicContact OD2-CZ 3.17Å; D134-R189 IonicContact OD2-NE 3.65Å; D134-R189 PolarHBondContact OD2-NE 3.25Å; D134-R189 VanDerWaalsContact OD2-NE 3.08Å; D134-R189 IonicContact OD2-NH2 2.78Å; D134-R189 PolarHBondContact OD2-NH2 3.42Å; D134-R189 VanDerWaalsContact OD2-NH2 3.16Å
135V93.7Very high94.8Very high1 Ų112.9 Ų12.91%0.0067%0.074CC..THydrogen-bonded Turntrans-65.2-34.8-177.9176.10000111.3Y133 R189 K191 S221 A222 F225Y133-V135 HydrophobicContact CD1-CG2 4.09Å; Y133-V135 HydrophobicContact CE1-CG2 4.48Å; Y133-V135 PolarHBondContact O-N 3.39Å; V135-R189 WeakPolarHBondContact CB-O 3.04Å; V135-R189 PolarHBondContact N-O 3.07Å; V135-K191 HydrophobicContact CG2-CB 4.38Å; V135-S221 CarbonylContact O-C 3.59Å; V135-S221 VanDerWaalsContact O-CB 3.32Å; V135-S221 WeakPolarHBondContact O-CB 3.38Å; V135-A222 HydrophobicContact CG1-CB 3.98Å; V135-A222 PolarHBondContact O-N 2.85Å; V135-F225 HydrophobicContact CB-CD1 4.31Å; V135-F225 HydrophobicContact CB-CG 4.44Å; V135-F225 HydrophobicContact CG1-CB 3.94Å; V135-F225 HydrophobicContact CG1-CD1 3.62Å; V135-F225 HydrophobicContact CG1-CE1 4.37Å; V135-F225 HydrophobicContact CG1-CG 3.88Å; V135-F225 HydrophobicContact CG2-CD1 3.71Å; V135-F225 HydrophobicContact CG2-CD2 4.2Å; V135-F225 HydrophobicContact CG2-CE1 3.73Å; V135-F225 HydrophobicContact CG2-CE2 4.23Å; V135-F225 HydrophobicContact CG2-CG 3.94Å; V135-F225 HydrophobicContact CG2-CZ 4Å
136S90.3Very high94.8Very high44 Ų4415.9 Ų15.931%0.3089%0.086SC..THydrogen-bonded Turntrans-72.7-40.5178.949.20000112.7D134 R189 S221D134-S136 VanDerWaalsContact C-N 3.3Å; D134-S136 PolarHBondContact O-N 3.47Å; D134-S136 WeakPolarHBondContact OD1-CA 3.46Å; D134-S136 WeakPolarHBondContact OD1-CB 3.32Å; D134-S136 PolarHBondContact OD1-N 3.44Å; D134-S136 PolarHBondContact OD1-OG 2.96Å; S136-R189 PolarHBondContact OG-NE 2.9Å; S136-S221 WeakPolarHBondContact O-CB 3.39Å
137E92.3Very high94.7Very high63 Ų6316.7 Ų16.729%0.2949%0.09SC..THydrogen-bonded Turntrans-94.7-13.9-174.9-65.4-63.4153.800113.9D134 I139 R156 I169D134-E137 HydrophobicContact CB-CB 4.24Å; D134-E137 PolarHBondContact O-N 3Å; D134-E137 PolarHBondContact OD1-N 3.01Å; E137-I139 HydrophobicContact CB-CB 4.42Å; E137-I139 HydrophobicContact CB-CD1 3.66Å; E137-I139 HydrophobicContact CB-CG1 3.81Å; E137-I139 HydrophobicContact CG-CD1 4.49Å; E137-R156 PolarHBondContact O-NE 3.17Å; E137-R156 PolarHBondContact O-NH2 2.88Å; E137-R156 IonicContact OE2-NH2 3.4Å; E137-I169 HydrophobicContact CG-CG2 3.95Å
138G95.1Very high94.7Very high0 Ų022.4 Ų22.40%011%0.109CC..THydrogen-bonded Turntrans67.834.9-174.500000112.9Y133 D134Y133-G138 WeakPolarHBondContact OH-CA 3.33Å; D134-G138 WeakPolarHBondContact O-CA 3.43Å; D134-G138 PolarHBondContact O-N 3.21Å
139I96.5Very high94.8Very high0 Ų021.6 Ų21.60%010%0.104CC..EExtended strand (participates in β ladder)trans-116.4123.2-171.7-58173.4000110.9Y133 D134 E137 F141 A154 Y155 L161 I169 Y170Y133-I139 CarbonylContact C-O 3.57Å; Y133-I139 WeakPolarHBondContact CA-O 3.25Å; D134-I139 PolarHBondContact N-O 3.03Å; D134-I139 PolarHBondContact O-N 2.88Å; E137-I139 HydrophobicContact CB-CB 4.42Å; E137-I139 HydrophobicContact CB-CD1 3.66Å; E137-I139 HydrophobicContact CB-CG1 3.81Å; E137-I139 HydrophobicContact CG-CD1 4.49Å; I139-F141 HydrophobicContact CG2-CD1 4.1Å; I139-A154 HydrophobicContact CG2-CB 4.23Å; I139-Y155 CarbonylContact C-O 3.53Å; I139-Y155 WeakPolarHBondContact CA-O 3.36Å; I139-L161 HydrophobicContact CD1-CD1 3.69Å; I139-L161 HydrophobicContact CG1-CD1 4Å; I139-L161 HydrophobicContact CG2-CD1 3.9Å; I139-I169 HydrophobicContact CD1-CD1 3.65Å; I139-I169 HydrophobicContact CD1-CG2 4.25Å; I139-Y170 HydrophobicContact CD1-CE2 4.44Å
140L97.3Very high94.9Very high4 Ų421.9 Ų21.92%0.02111%0.105CC..EExtended strand (participates in β ladder)trans-91.4129.4171.5-173.668.4000110F126 L131 H132 Y133 A154 Y155 L193 V202 F459F126-L140 HydrophobicContact CE1-CD2 3.87Å; F126-L140 HydrophobicContact CZ-CD2 4.09Å; L131-L140 HydrophobicContact CB-CD1 3.78Å; L131-L140 HydrophobicContact CB-CG 4.45Å; L131-L140 HydrophobicContact CD1-CD1 3.98Å; L131-L140 HydrophobicContact CD1-CD2 3.83Å; L131-L140 HydrophobicContact CD1-CG 3.98Å; H132-L140 CarbonylContact O-C 3.56Å; H132-L140 WeakPolarHBondContact O-CA 3.28Å; Y133-L140 HydrophobicContact CD2-CB 4.18Å; Y133-L140 HydrophobicContact CD2-CD1 4.28Å; L140-A154 CarbonylContact O-C 3.47Å; L140-A154 VanDerWaalsContact O-CA 3.29Å; L140-A154 WeakPolarHBondContact O-CA 3.43Å; L140-Y155 PolarHBondContact N-O 2.94Å; L140-Y155 PolarHBondContact O-N 3.01Å; L140-L193 HydrophobicContact CD1-CD1 3.32Å; L140-V202 HydrophobicContact CD1-CG1 4.03Å; L140-V202 HydrophobicContact CD2-CG1 3.53Å; L140-V202 HydrophobicContact CG-CG1 4.44Å; L140-F459 HydrophobicContact CD2-CE1 4.26Å; L140-F459 HydrophobicContact CD2-CE2 4.16Å; L140-F459 HydrophobicContact CD2-CZ 3.55Å; L140-F459 HydrophobicContact CG-CE1 4.24Å; L140-F459 HydrophobicContact CG-CZ 4.01Å
141F97.2Very high95Very high1 Ų127.2 Ų27.20%0.00413%0.127CC..EExtended strand (participates in β ladder)trans-148.3166.8177.956.8-93000112.9H132 D134 I139 L143 I149 T153 A154 Y170 V175 T190H132-F141 HydrophobicContact CB-CD2 3.91Å; H132-F141 HydrophobicContact CB-CE2 3.5Å; H132-F141 VanDerWaalsContact CB-CE2 3.5Å; H132-F141 HydrophobicContact CB-CZ 3.84Å; H132-F141 PolarHBondContact N-O 2.77Å; H132-F141 PolarHBondContact O-N 2.85Å; D134-F141 HydrophobicContact CB-CE1 4.02Å; I139-F141 HydrophobicContact CG2-CD1 4.1Å; F141-L143 HydrophobicContact CD2-CD2 3.81Å; F141-L143 HydrophobicContact CD2-CG 4.01Å; F141-L143 HydrophobicContact CE2-CD1 4.13Å; F141-L143 HydrophobicContact CE2-CD2 3.7Å; F141-L143 HydrophobicContact CE2-CG 3.83Å; F141-I149 HydrophobicContact CB-CG2 4.05Å; F141-I149 HydrophobicContact CD2-CD1 4.22Å; F141-I149 HydrophobicContact CD2-CG1 3.82Å; F141-I149 HydrophobicContact CE2-CG1 4.23Å; F141-I149 HydrophobicContact CG-CD1 4.3Å; F141-I149 HydrophobicContact CG-CG1 4.27Å; F141-T153 WeakPolarHBondContact CA-O 3.22Å; F141-A154 HydrophobicContact CB-CB 4.32Å; F141-Y170 WeakPolarHBondContact CE1-OH 3.11Å; F141-V175 HydrophobicContact CE2-CG2 4.43Å; F141-T190 HydrophobicContact CZ-CG2 4.04Å
142K97Very high94.9Very high4 Ų427.7 Ų27.72%0.01713%0.132CC..  trans-114.2134178-169.6176172.8-152.60111.4L131 I149 Q150 T153 F459 S461 R464 T465L131-K142 HydrophobicContact CD2-CB 3.66Å; L131-K142 HydrophobicContact CD2-CD 4.21Å; L131-K142 HydrophobicContact CD2-CG 3.94Å; K142-I149 WeakPolarHBondContact O-CA 3.46Å; K142-Q150 PolarHBondContact O-N 2.67Å; K142-T153 HydrophobicContact CB-CG2 4.43Å; K142-T153 PolarHBondContact N-OG1 2.8Å; K142-F459 HydrophobicContact CB-CD1 4.36Å; K142-F459 HydrophobicContact CD-CB 4.35Å; K142-F459 WeakPolarHBondContact CD-O 3.18Å; K142-F459 WeakPolarHBondContact CE-O 3.41Å; K142-F459 PolarHBondContact NZ-O 3.28Å; K142-S461 VanDerWaalsContact CE-O 3.3Å; K142-S461 WeakPolarHBondContact CE-O 3.47Å; K142-S461 PolarHBondContact NZ-O 2.89Å; K142-R464 PolarHBondContact NZ-O 2.91Å; K142-T465 HydrophobicContact CD-CG2 4.38Å; K142-T465 HydrophobicContact CG-CG2 4.35Å
143L96.1Very high95Very high1 Ų127.7 Ų27.71%0.00513%0.132CC..BIsolated β-bridgetrans-103.4144.6178.4-64.8-178.5000112.6F141 R148 I149 V175 L180 Y471F141-L143 HydrophobicContact CD2-CD2 3.81Å; F141-L143 HydrophobicContact CD2-CG 4.01Å; F141-L143 HydrophobicContact CE2-CD1 4.13Å; F141-L143 HydrophobicContact CE2-CD2 3.7Å; F141-L143 HydrophobicContact CE2-CG 3.83Å; L143-R148 WeakPolarHBondContact CA-O 3.28Å; L143-I149 HydrophobicContact CD2-CB 4.47Å; L143-I149 HydrophobicContact CD2-CG1 3.78Å; L143-V175 HydrophobicContact CD2-CG2 4.18Å; L143-L180 HydrophobicContact CD1-CD1 3.96Å; L143-L180 HydrophobicContact CD1-CD2 3.63Å; L143-L180 HydrophobicContact CD1-CG 4.46Å; L143-Y471 HydrophobicContact CB-CD2 4.49Å; L143-Y471 PolarHBondContact O-N 2.82Å
144D95.6Very high95.1Very high12 Ų1227.4 Ų27.46%0.06413%0.131CC..BIsolated β-bridgetrans-78.7177.2163.478.32.7000112.1F146 N147 R148 T465D144-F146 PolarHBondContact O-N 3.36Å; D144-F146 VanDerWaalsContact O-N 3.11Å; D144-F146 VanDerWaalsContact OD1-C 3.23Å; D144-F146 VanDerWaalsContact OD1-CA 3.28Å; D144-F146 WeakPolarHBondContact OD1-CA 3.28Å; D144-F146 PolarHBondContact OD1-N 3.49Å; D144-N147 PolarHBondContact O-N 3Å; D144-N147 PolarHBondContact OD1-N 3.33Å; D144-R148 PolarHBondContact N-O 3.24Å; D144-R148 PolarHBondContact OD1-N 2.85Å; D144-T465 HydrophobicContact CB-CG2 4.04Å; D144-T465 WeakPolarHBondContact CB-OG1 3.36Å
145A93.5Very high95.3Very high18 Ų1828.2 Ų28.215%0.14913%0.134CC..THydrogen-bonded Turntrans-62.3-12.4177.400000114.8P469 I474A145-P469 HydrophobicContact CB-CB 4.25Å; A145-P469 WeakPolarHBondContact CB-O 3.46Å; A145-P469 PolarHBondContact N-O 3.35Å; A145-I474 HydrophobicContact CB-CB 3.75Å; A145-I474 HydrophobicContact CB-CG1 4.21Å; A145-I474 HydrophobicContact CB-CG2 3.71Å
146F92.8Very high95.5Very high126 Ų12630.9 Ų30.955%0.55314%0.144SC*.THydrogen-bonded Turntrans-111.815-176.4-50.9-72.4000112.4D144 R148D144-F146 PolarHBondContact O-N 3.36Å; D144-F146 VanDerWaalsContact O-N 3.11Å; D144-F146 VanDerWaalsContact OD1-C 3.23Å; D144-F146 VanDerWaalsContact OD1-CA 3.28Å; D144-F146 WeakPolarHBondContact OD1-CA 3.28Å; D144-F146 PolarHBondContact OD1-N 3.49Å; F146-R148 VanDerWaalsContact C-N 3.34Å
147N93.4Very high95.7Very high20 Ų2029 Ų2911%0.10713%0.132CC..SBendtrans63.832.2-178.9-45.8-36.6000114D144 V175 K177 L180 Y471D144-N147 PolarHBondContact O-N 3Å; D144-N147 PolarHBondContact OD1-N 3.33Å; N147-V175 WeakPolarHBondContact CB-O 3.36Å; N147-V175 PolarHBondContact O-N 2.81Å; N147-K177 VanDerWaalsContact ND2-CG 3.34Å; N147-K177 WeakPolarHBondContact ND2-CG 3.46Å; N147-L180 HydrophobicContact CB-CD1 4.31Å; N147-Y471 VanDerWaalsContact OD1-CE2 3.27Å; N147-Y471 WeakPolarHBondContact OD1-CE2 3.37Å
148R95.5Very high95.9Very high135 Ų13529 Ų2951%0.50913%0.13SC..BIsolated β-bridgetrans-97.9134171.1-59.3175.3173.6161.9-1.8110.4L143 D144 F146 Q150 L173L143-R148 WeakPolarHBondContact CA-O 3.28Å; D144-R148 PolarHBondContact N-O 3.24Å; D144-R148 PolarHBondContact OD1-N 2.85Å; F146-R148 VanDerWaalsContact C-N 3.34Å; R148-Q150 PolarHBondContact O-N 2.88Å; R148-L173 CarbonylContact C-O 3.59Å; R148-L173 VanDerWaalsContact CA-O 3.28Å; R148-L173 WeakPolarHBondContact CA-O 3.37Å
149I96.5Very high96Very high7 Ų734.3 Ų34.34%0.03615%0.15CC..BIsolated β-bridgetrans-63.6122.8170.7-61.6174.1000107.9F141 K142 L143 K151 V166 Y170 L173 V175F141-I149 HydrophobicContact CB-CG2 4.05Å; F141-I149 HydrophobicContact CD2-CD1 4.22Å; F141-I149 HydrophobicContact CD2-CG1 3.82Å; F141-I149 HydrophobicContact CE2-CG1 4.23Å; F141-I149 HydrophobicContact CG-CD1 4.3Å; F141-I149 HydrophobicContact CG-CG1 4.27Å; K142-I149 WeakPolarHBondContact O-CA 3.46Å; L143-I149 HydrophobicContact CD2-CB 4.47Å; L143-I149 HydrophobicContact CD2-CG1 3.78Å; I149-K151 PolarHBondContact O-N 3.45Å; I149-V166 HydrophobicContact CD1-CG1 3.69Å; I149-V166 HydrophobicContact CG2-CG1 4.25Å; I149-Y170 HydrophobicContact CD1-CD2 3.67Å; I149-Y170 HydrophobicContact CD1-CE2 3.85Å; I149-Y170 HydrophobicContact CD1-CG 4.24Å; I149-L173 HydrophobicContact CB-CD2 4.42Å; I149-L173 PolarHBondContact N-O 2.81Å; I149-V175 HydrophobicContact CD1-CG2 3.74Å; I149-V175 HydrophobicContact CG1-CG2 3.72Å
150Q96Very high96.1Very high10 Ų1039.4 Ų39.45%0.04717%0.173CC..PPolyproline II helixtrans-66123.6173.4-177.7-177.3-15.100108.6K142 R148 G152 T153 T465 Y466K142-Q150 PolarHBondContact O-N 2.67Å; R148-Q150 PolarHBondContact O-N 2.88Å; Q150-G152 PolarHBondContact O-N 2.98Å; Q150-T153 HydrophobicContact CB-CG2 3.82Å; Q150-T153 HydrophobicContact CG-CG2 3.7Å; Q150-T153 WeakPolarHBondContact O-CB 3.44Å; Q150-T153 PolarHBondContact O-N 2.56Å; Q150-T153 VanDerWaalsContact O-N 3.13Å; Q150-T153 PolarHBondContact O-OG1 3.33Å; Q150-T465 HydrophobicContact CB-CG2 4.23Å; Q150-Y466 HydrophobicContact CG-CD2 4.1Å; Q150-Y466 HydrophobicContact CG-CE2 3.8Å
151K94.9Very high96.1Very high117 Ų11739.3 Ų39.351%0.50917%0.172SC..THydrogen-bonded Turntrans-48138175.9-70.9-171.1168.8-161.60112.4I149 T153 D163 L173I149-K151 PolarHBondContact O-N 3.45Å; K151-T153 PolarHBondContact O-N 3.08Å; K151-D163 WeakPolarHBondContact CA-OD1 3.49Å; K151-D163 VanDerWaalsContact CB-OD2 3.3Å; K151-D163 WeakPolarHBondContact CB-OD2 3.28Å; K151-D163 VanDerWaalsContact CD-OD2 3.25Å; K151-D163 WeakPolarHBondContact CD-OD2 3.33Å; K151-D163 WeakPolarHBondContact CG-OD2 3.29Å; K151-L173 HydrophobicContact CD-CD1 4.4Å; K151-L173 HydrophobicContact CG-CD1 3.77Å
152G94.7Very high96.1Very high10 Ų1041.4 Ų41.410%0.10319%0.187CC..THydrogen-bonded Turntrans64.419.1-179.900000115.8Q150 K160 D163Q150-G152 PolarHBondContact O-N 2.98Å; G152-K160 VanDerWaalsContact O-CE 3.23Å; G152-K160 WeakPolarHBondContact O-CE 3.36Å; G152-D163 PolarHBondContact N-OD1 3.39Å
153T96.9Very high96Very high0 Ų043.1 Ų43.10%020%0.196CC..  trans-113.67.5176.171.60000114.1F141 K142 Q150 K151 Y155 F459F141-T153 WeakPolarHBondContact CA-O 3.22Å; K142-T153 HydrophobicContact CB-CG2 4.43Å; K142-T153 PolarHBondContact N-OG1 2.8Å; Q150-T153 HydrophobicContact CB-CG2 3.82Å; Q150-T153 HydrophobicContact CG-CG2 3.7Å; Q150-T153 WeakPolarHBondContact O-CB 3.44Å; Q150-T153 PolarHBondContact O-N 2.56Å; Q150-T153 VanDerWaalsContact O-N 3.13Å; Q150-T153 PolarHBondContact O-OG1 3.33Å; K151-T153 PolarHBondContact O-N 3.08Å; T153-Y155 WeakPolarHBondContact O-CD2 3.46Å; T153-F459 WeakPolarHBondContact O-CE1 3.17Å
154A97.7Very high96.1Very high2 Ų249.6 Ų49.62%0.01723%0.226CC..  trans-91.1132.5176.300000111.4I139 L140 F141 L161 V166I139-A154 HydrophobicContact CG2-CB 4.23Å; L140-A154 CarbonylContact O-C 3.47Å; L140-A154 VanDerWaalsContact O-CA 3.29Å; L140-A154 WeakPolarHBondContact O-CA 3.43Å; F141-A154 HydrophobicContact CB-CB 4.32Å; A154-L161 HydrophobicContact CB-CB 4.21Å; A154-L161 HydrophobicContact CB-CD1 4.42Å; A154-L161 PolarHBondContact O-N 3.15Å; A154-V166 HydrophobicContact CB-CG2 3.29Å
155Y98.2Very high96.1Very high18 Ų1852.2 Ų52.27%0.07124%0.239CC..EExtended strand (participates in β ladder)trans-137.5135.9-178.1-70.2-101.5000110.9I139 L140 T153 K158 R159 K160 R458 F459I139-Y155 CarbonylContact C-O 3.53Å; I139-Y155 WeakPolarHBondContact CA-O 3.36Å; L140-Y155 PolarHBondContact N-O 2.94Å; L140-Y155 PolarHBondContact O-N 3.01Å; T153-Y155 WeakPolarHBondContact O-CD2 3.46Å; Y155-K158 WeakPolarHBondContact CD1-O 3.43Å; Y155-R159 CarbonylContact C-O 3.54Å; Y155-R159 VanDerWaalsContact CA-O 3.23Å; Y155-R159 WeakPolarHBondContact CA-O 3.42Å; Y155-K160 HydrophobicContact CD1-CB 4.02Å; Y155-K160 HydrophobicContact CE1-CB 3.56Å; Y155-K160 HydrophobicContact CE1-CG 4.11Å; Y155-K160 HydrophobicContact CE2-CG 4.4Å; Y155-R458 HydrophobicContact CE1-CG 4.49Å; Y155-R458 HydrophobicContact CE2-CB 4.12Å; Y155-F459 AromaticContact CD2-CE1 3.81Å; Y155-F459 HydrophobicContact CD2-CE1 3.81Å; Y155-F459 HydrophobicContact CD2-CE2 4.49Å; Y155-F459 AromaticContact CD2-CZ 3.58Å; Y155-F459 HydrophobicContact CD2-CZ 3.58Å; Y155-F459 HydrophobicContact CE2-CE1 4.14Å; Y155-F459 AromaticContact CE2-CZ 4Å; Y155-F459 HydrophobicContact CE2-CZ 4Å; Y155-F459 HydrophobicContact CG-CZ 4.3Å
156R97.3Very high96.3Very high57 Ų5751.4 Ų51.422%0.21523%0.232CC..EExtended strand (participates in β ladder)trans-107.8117.8162.9179177.8-68.7163.1-0.3107E137 K158 R159 L161 I209E137-R156 PolarHBondContact O-NE 3.17Å; E137-R156 PolarHBondContact O-NH2 2.88Å; E137-R156 IonicContact OE2-NH2 3.4Å; R156-K158 PolarHBondContact O-N 2.8Å; R156-R159 PolarHBondContact N-O 2.78Å; R156-R159 WeakPolarHBondContact O-CB 3.34Å; R156-R159 PolarHBondContact O-N 3.13Å; R156-L161 HydrophobicContact CB-CD2 4.23Å; R156-I209 HydrophobicContact CG-CG2 4.05Å
157G96.4Very high96.4Very high4 Ų447.5 Ų47.54%0.04122%0.22CC..THydrogen-bonded Turntrans59.5-129-162.300000110.2F126 D210F126-G157 WeakPolarHBondContact CZ-O 3.37Å; G157-D210 WeakPolarHBondContact CA-OD1 3.4Å
158K96.4Very high96.5Very high62 Ų6251.5 Ų51.527%0.2725%0.249SC..THydrogen-bonded Turntrans-98.5-1.3168.1-60.9178.1-164.5153.50113.3F126 Y155 R156 K160 A206 N207 D210F126-K158 HydrophobicContact CD2-CG 4.02Å; F126-K158 HydrophobicContact CE2-CB 4.18Å; F126-K158 HydrophobicContact CE2-CG 3.72Å; F126-K158 HydrophobicContact CZ-CG 4.22Å; Y155-K158 WeakPolarHBondContact CD1-O 3.43Å; R156-K158 PolarHBondContact O-N 2.8Å; K158-K160 PolarHBondContact O-N 3.41Å; K158-A206 HydrophobicContact CG-CB 4.17Å; K158-N207 WeakPolarHBondContact CE-OD1 3.48Å; K158-N207 PolarHBondContact NZ-OD1 3.43Å; K158-D210 VanDerWaalsContact CB-OD2 3.22Å; K158-D210 WeakPolarHBondContact CB-OD2 3.25Å; K158-D210 WeakPolarHBondContact CD-OD2 3.35Å; K158-D210 WeakPolarHBondContact CG-OD2 3.42Å; K158-D210 PolarHBondContact N-OD1 3.09Å; K158-D210 IonicContact NZ-OD2 3.47Å
159R96.9Very high96.4Very high112 Ų11247.7 Ų47.742%0.42324%0.239SC..EExtended strand (participates in β ladder)trans-71.9118.5174-173.9177.372.292.9-8.1109.9Y155 R156 L161 E165Y155-R159 CarbonylContact C-O 3.54Å; Y155-R159 VanDerWaalsContact CA-O 3.23Å; Y155-R159 WeakPolarHBondContact CA-O 3.42Å; R156-R159 PolarHBondContact N-O 2.78Å; R156-R159 WeakPolarHBondContact O-CB 3.34Å; R156-R159 PolarHBondContact O-N 3.13Å; R159-L161 VanDerWaalsContact CZ-CD2 3.44Å; R159-L161 VanDerWaalsContact NH2-CD2 3.27Å; R159-E165 IonicContact CZ-OE1 3.15Å; R159-E165 IonicContact NH1-OE1 2.76Å; R159-E165 PolarHBondContact NH1-OE1 3.13Å; R159-E165 IonicContact NH1-OE2 2.81Å; R159-E165 IonicContact NH2-OE1 2.9Å
160K97.6Very high96.2Very high107 Ų10748.8 Ų48.847%0.46524%0.243SC..EExtended strand (participates in β ladder)trans-69.2130171.6-174.2179.3174.3178.10109.6G152 Y155 K158G152-K160 VanDerWaalsContact O-CE 3.23Å; G152-K160 WeakPolarHBondContact O-CE 3.36Å; Y155-K160 HydrophobicContact CD1-CB 4.02Å; Y155-K160 HydrophobicContact CE1-CB 3.56Å; Y155-K160 HydrophobicContact CE1-CG 4.11Å; Y155-K160 HydrophobicContact CE2-CG 4.4Å; K158-K160 PolarHBondContact O-N 3.41Å
161L97.5Very high96Very high2 Ų252.1 Ų52.11%0.0128%0.279CS..PPolyproline II helixtrans-85.8145.8172.2-56.5-177.8000110.5I139 A154 R156 R159 E165 V166 I169I139-L161 HydrophobicContact CD1-CD1 3.69Å; I139-L161 HydrophobicContact CG1-CD1 4Å; I139-L161 HydrophobicContact CG2-CD1 3.9Å; A154-L161 HydrophobicContact CB-CB 4.21Å; A154-L161 HydrophobicContact CB-CD1 4.42Å; A154-L161 PolarHBondContact O-N 3.15Å; R156-L161 HydrophobicContact CB-CD2 4.23Å; R159-L161 VanDerWaalsContact CZ-CD2 3.44Å; R159-L161 VanDerWaalsContact NH2-CD2 3.27Å; L161-E165 WeakPolarHBondContact CA-OE2 3.38Å; L161-E165 HydrophobicContact CB-CB 4.31Å; L161-V166 HydrophobicContact CB-CG2 3.96Å; L161-V166 HydrophobicContact CD1-CG2 4.47Å; L161-I169 HydrophobicContact CD1-CD1 4.41Å
162S97.6Very high96Very high45 Ų4547.5 Ų47.532%0.31527%0.265SS..PPolyproline II helixtrans-69.8154.8169.9101.50000110.6E164 E165 V166S162-E164 VanDerWaalsContact CB-OE2 3.27Å; S162-E164 WeakPolarHBondContact CB-OE2 3.3Å; S162-E164 PolarHBondContact O-N 2.9Å; S162-E164 PolarHBondContact OG-N 3.29Å; S162-E164 PolarHBondContact OG-OE2 3.19Å; S162-E165 PolarHBondContact N-OE2 3.05Å; S162-E165 PolarHBondContact O-N 2.63Å; S162-E165 PolarHBondContact OG-N 3.21Å; S162-E165 VanDerWaalsContact OG-N 3.11Å; S162-V166 WeakPolarHBondContact O-CG2 3.25Å; S162-V166 PolarHBondContact O-N 2.72Å
163D95.6Very high95.9Very high40 Ų4048.8 Ų48.821%0.21427%0.269CS..Hα-helixtrans-64.6-25.8178.5-71.3-16.1000111.3K151 G152 S167K151-D163 WeakPolarHBondContact CA-OD1 3.49Å; K151-D163 VanDerWaalsContact CB-OD2 3.3Å; K151-D163 WeakPolarHBondContact CB-OD2 3.28Å; K151-D163 VanDerWaalsContact CD-OD2 3.25Å; K151-D163 WeakPolarHBondContact CD-OD2 3.33Å; K151-D163 WeakPolarHBondContact CG-OD2 3.29Å; G152-D163 PolarHBondContact N-OD1 3.39Å; D163-S167 VanDerWaalsContact O-CB 3.3Å; D163-S167 WeakPolarHBondContact O-CB 3.46Å; D163-S167 PolarHBondContact O-N 3.43Å; D163-S167 PolarHBondContact O-OG 3.34Å
164E96.8Very high95.8Very high137 Ų13752.6 Ų52.664%0.6429%0.293SS*.Hα-helixtrans-71-44.8173.6-57.170.8-152.500111.6S162 V166 S167 S168S162-E164 VanDerWaalsContact CB-OE2 3.27Å; S162-E164 WeakPolarHBondContact CB-OE2 3.3Å; S162-E164 PolarHBondContact O-N 2.9Å; S162-E164 PolarHBondContact OG-N 3.29Å; S162-E164 PolarHBondContact OG-OE2 3.19Å; E164-V166 VanDerWaalsContact C-N 3.33Å; E164-V166 PolarHBondContact O-N 3.16Å; E164-S167 PolarHBondContact O-N 2.81Å; E164-S168 WeakPolarHBondContact O-CB 3.43Å; E164-S168 PolarHBondContact O-N 3.45Å
165E96.8Very high95.4Very high68 Ų6852.7 Ų52.732%0.31829%0.293SS..Hα-helixtrans-57.1-48.6172.9-73.4176.1103.100110.1R159 L161 S162 S167 S168 I169R159-E165 IonicContact CZ-OE1 3.15Å; R159-E165 IonicContact NH1-OE1 2.76Å; R159-E165 PolarHBondContact NH1-OE1 3.13Å; R159-E165 IonicContact NH1-OE2 2.81Å; R159-E165 IonicContact NH2-OE1 2.9Å; L161-E165 WeakPolarHBondContact CA-OE2 3.38Å; L161-E165 HydrophobicContact CB-CB 4.31Å; S162-E165 PolarHBondContact N-OE2 3.05Å; S162-E165 PolarHBondContact O-N 2.63Å; S162-E165 PolarHBondContact OG-N 3.21Å; S162-E165 VanDerWaalsContact OG-N 3.11Å; E165-S167 PolarHBondContact O-N 2.96Å; E165-S168 WeakPolarHBondContact O-CB 3.33Å; E165-S168 PolarHBondContact O-N 2.93Å; E165-I169 WeakPolarHBondContact O-CD1 3.38Å; E165-I169 VanDerWaalsContact O-CG1 3.27Å; E165-I169 WeakPolarHBondContact O-CG1 3.27Å; E165-I169 PolarHBondContact O-N 3.29Å
166V96.3Very high94.7Very high1 Ų155 Ų551%0.00631%0.31CS..Hα-helixtrans-60.1-46.2177.7177.60000110.9I149 A154 L161 S162 E164 S168 I169 Y170 L173I149-V166 HydrophobicContact CD1-CG1 3.69Å; I149-V166 HydrophobicContact CG2-CG1 4.25Å; A154-V166 HydrophobicContact CB-CG2 3.29Å; L161-V166 HydrophobicContact CB-CG2 3.96Å; L161-V166 HydrophobicContact CD1-CG2 4.47Å; S162-V166 WeakPolarHBondContact O-CG2 3.25Å; S162-V166 PolarHBondContact O-N 2.72Å; E164-V166 VanDerWaalsContact C-N 3.33Å; E164-V166 PolarHBondContact O-N 3.16Å; V166-S168 VanDerWaalsContact C-N 3.28Å; V166-S168 PolarHBondContact O-N 3.01Å; V166-I169 PolarHBondContact O-N 3.06Å; V166-Y170 HydrophobicContact CG1-CD2 3.75Å; V166-Y170 HydrophobicContact CG1-CE2 4.14Å; V166-Y170 WeakPolarHBondContact O-CD2 3.35Å; V166-Y170 PolarHBondContact O-N 3.14Å; V166-L173 HydrophobicContact CB-CD2 4.25Å; V166-L173 HydrophobicContact CG1-CD2 3.69Å
167S95.4Very high94Very high43 Ų4359.2 Ų59.230%0.30133%0.33SS..Hα-helixtrans-64.2-34.8179.7-61.50000112.1D163 E164 E165 G171 G172D163-S167 VanDerWaalsContact O-CB 3.3Å; D163-S167 WeakPolarHBondContact O-CB 3.46Å; D163-S167 PolarHBondContact O-N 3.43Å; D163-S167 PolarHBondContact O-OG 3.34Å; E164-S167 PolarHBondContact O-N 2.81Å; E165-S167 PolarHBondContact O-N 2.96Å; S167-G171 CarbonylContact O-C 3.44Å; S167-G171 VanDerWaalsContact O-CA 3.25Å; S167-G171 WeakPolarHBondContact O-CA 3.31Å; S167-G171 PolarHBondContact O-N 2.73Å; S167-G172 PolarHBondContact O-N 3.44Å
168S95.7Very high93.2Very high104 Ų10462.8 Ų62.873%0.72736%0.36SS*.Hα-helixtrans-67-36.6175-171.50000112.4E164 E165 V166E164-S168 WeakPolarHBondContact O-CB 3.43Å; E164-S168 PolarHBondContact O-N 3.45Å; E165-S168 WeakPolarHBondContact O-CB 3.33Å; E165-S168 PolarHBondContact O-N 2.93Å; V166-S168 VanDerWaalsContact C-N 3.28Å; V166-S168 PolarHBondContact O-N 3.01Å
169I93.7Very high92.5Very high56 Ų5662.8 Ų62.829%0.28736%0.36SS..Hα-helixtrans-75.5-44-178.1-66.4161.7000111.1E137 I139 L161 E165 V166E137-I169 HydrophobicContact CG-CG2 3.95Å; I139-I169 HydrophobicContact CD1-CD1 3.65Å; I139-I169 HydrophobicContact CD1-CG2 4.25Å; L161-I169 HydrophobicContact CD1-CD1 4.41Å; E165-I169 WeakPolarHBondContact O-CD1 3.38Å; E165-I169 VanDerWaalsContact O-CG1 3.27Å; E165-I169 WeakPolarHBondContact O-CG1 3.27Å; E165-I169 PolarHBondContact O-N 3.29Å; V166-I169 PolarHBondContact O-N 3.06Å
170Y92Very high91.8Very high30 Ų3057.4 Ų57.412%0.11834%0.34CS..Hα-helixtrans-1020.8-173.3-61.3-73.1000114.7D134 I139 F141 I149 V166 G172D134-Y170 WeakPolarHBondContact CB-OH 3.23Å; D134-Y170 WeakPolarHBondContact OD2-CE1 3.13Å; I139-Y170 HydrophobicContact CD1-CE2 4.44Å; F141-Y170 WeakPolarHBondContact CE1-OH 3.11Å; I149-Y170 HydrophobicContact CD1-CD2 3.67Å; I149-Y170 HydrophobicContact CD1-CE2 3.85Å; I149-Y170 HydrophobicContact CD1-CG 4.24Å; V166-Y170 HydrophobicContact CG1-CD2 3.75Å; V166-Y170 HydrophobicContact CG1-CE2 4.14Å; V166-Y170 WeakPolarHBondContact O-CD2 3.35Å; V166-Y170 PolarHBondContact O-N 3.14Å; Y170-G172 VanDerWaalsContact C-N 3.28Å; Y170-G172 WeakPolarHBondContact CB-O 3.47Å
171G92.1Very high90.8Very high79 Ų7957 Ų5781%0.81434%0.338SS*.THydrogen-bonded Turntrans70.624.2-173.800000113.6S167S167-G171 CarbonylContact O-C 3.44Å; S167-G171 VanDerWaalsContact O-CA 3.25Å; S167-G171 WeakPolarHBondContact O-CA 3.31Å; S167-G171 PolarHBondContact O-N 2.73Å
172G93.5Very high89.4Confident21 Ų2160.3 Ų60.322%0.21636%0.359CS..SBendtrans134.9-168.3-175.600000112S167 Y170S167-G172 PolarHBondContact O-N 3.44Å; Y170-G172 VanDerWaalsContact C-N 3.28Å; Y170-G172 WeakPolarHBondContact CB-O 3.47Å
173L93.8Very high87.9Confident36 Ų3661.9 Ų61.919%0.18836%0.364CS..SBendtrans-96.8-3.4178.9-62.9178000113.6R148 I149 K151 V166R148-L173 CarbonylContact C-O 3.59Å; R148-L173 VanDerWaalsContact CA-O 3.28Å; R148-L173 WeakPolarHBondContact CA-O 3.37Å; I149-L173 HydrophobicContact CB-CD2 4.42Å; I149-L173 PolarHBondContact N-O 2.81Å; K151-L173 HydrophobicContact CD-CD1 4.4Å; K151-L173 HydrophobicContact CG-CD1 3.77Å; V166-L173 HydrophobicContact CB-CD2 4.25Å; V166-L173 HydrophobicContact CG1-CD2 3.69Å
174T93.7Very high86.6Confident81 Ų8167.5 Ų67.550%0.49740%0.401SS..BIsolated β-bridgetrans-95121.6179.6-56.20000109.5
175V89.6Confident84.9Confident3 Ų365.5 Ų65.52%0.01840%0.401CS..PPolyproline II helixtrans-94.1121.7177.9179.30000108.7F141 L143 N147 I149 F179 L180F141-V175 HydrophobicContact CE2-CG2 4.43Å; L143-V175 HydrophobicContact CD2-CG2 4.18Å; N147-V175 WeakPolarHBondContact CB-O 3.36Å; N147-V175 PolarHBondContact O-N 2.81Å; I149-V175 HydrophobicContact CD1-CG2 3.74Å; I149-V175 HydrophobicContact CG1-CG2 3.72Å; V175-F179 HydrophobicContact CG1-CB 3.59Å; V175-F179 HydrophobicContact CG1-CD1 4.45Å; V175-F179 HydrophobicContact CG1-CG 4.16Å; V175-L180 HydrophobicContact CG1-CD2 3.88Å; V175-L180 HydrophobicContact CG1-CG 4.36Å
176P85Confident83.6Confident67 Ų6764.7 Ų64.744%0.43541%0.412SS..PPolyproline II helixtrans-59.9145.3176.1-22.232.7000111.3A178 F179P176-A178 PolarHBondContact O-N 2.76Å; P176-A178 VanDerWaalsContact O-N 3.12Å; P176-F179 HydrophobicContact CB-CD2 3.89Å; P176-F179 HydrophobicContact CB-CE2 4.28Å; P176-F179 HydrophobicContact CG-CD2 3.89Å; P176-F179 HydrophobicContact CG-CE2 3.89Å; P176-F179 WeakPolarHBondContact O-CB 3.32Å; P176-F179 PolarHBondContact O-N 2.8Å
177K81.9Confident82.2Confident145 Ų14568.7 Ų68.763%0.6343%0.427SS*.G310 helixtrans-54.7-36178.7-76.7-176.9-178.5174.80112.8N147 F179 L180 F181N147-K177 VanDerWaalsContact ND2-CG 3.34Å; N147-K177 WeakPolarHBondContact ND2-CG 3.46Å; K177-F179 PolarHBondContact O-N 3.14Å; K177-F179 VanDerWaalsContact O-N 3.15Å; K177-L180 WeakPolarHBondContact O-CB 3.47Å; K177-L180 PolarHBondContact O-N 3.11Å; K177-F181 HydrophobicContact CB-CE2 4.23Å; K177-F181 WeakPolarHBondContact O-CD2 3.33Å
178A80Confident81.3Confident80 Ų8069.5 Ų69.566%0.66143%0.426SS*.G310 helixtrans-57.8-25.2178.200000113.4P176 L180P176-A178 PolarHBondContact O-N 2.76Å; P176-A178 VanDerWaalsContact O-N 3.12Å; A178-L180 VanDerWaalsContact C-N 3.3Å
179F81.7Confident80.7Confident61 Ų6167.9 Ų67.927%0.26840%0.404SS..G310 helixtrans-75.7-21.2175.9-77.9-125.5000112.4V175 P176 K177 T190V175-F179 HydrophobicContact CG1-CB 3.59Å; V175-F179 HydrophobicContact CG1-CD1 4.45Å; V175-F179 HydrophobicContact CG1-CG 4.16Å; P176-F179 HydrophobicContact CB-CD2 3.89Å; P176-F179 HydrophobicContact CB-CE2 4.28Å; P176-F179 HydrophobicContact CG-CD2 3.89Å; P176-F179 HydrophobicContact CG-CE2 3.89Å; P176-F179 WeakPolarHBondContact O-CB 3.32Å; P176-F179 PolarHBondContact O-N 2.8Å; K177-F179 PolarHBondContact O-N 3.14Å; K177-F179 VanDerWaalsContact O-N 3.15Å; F179-T190 WeakPolarHBondContact O-CB 3.31Å; F179-T190 PolarHBondContact O-OG1 3.28Å
180L81.8Confident80.5Confident0 Ų065.3 Ų65.30%039%0.391CS..G310 helixtrans-92.8-7.9-175.3-53.1-178.6000113.2L143 N147 V175 K177 A178 T190 Q192 Y471L143-L180 HydrophobicContact CD1-CD1 3.96Å; L143-L180 HydrophobicContact CD1-CD2 3.63Å; L143-L180 HydrophobicContact CD1-CG 4.46Å; N147-L180 HydrophobicContact CB-CD1 4.31Å; V175-L180 HydrophobicContact CG1-CD2 3.88Å; V175-L180 HydrophobicContact CG1-CG 4.36Å; K177-L180 WeakPolarHBondContact O-CB 3.47Å; K177-L180 PolarHBondContact O-N 3.11Å; A178-L180 VanDerWaalsContact C-N 3.3Å; L180-T190 HydrophobicContact CD2-CG2 4.2Å; L180-Q192 PolarHBondContact O-NE2 2.97Å; L180-Y471 HydrophobicContact CD1-CE2 3.94Å
181F75.8Confident80.4Confident97 Ų9766.6 Ų66.643%0.42540%0.397SS..SBendtrans-119.6150.8179.9-62.4-71.6000109.3K177 D183K177-F181 HydrophobicContact CB-CE2 4.23Å; K177-F181 WeakPolarHBondContact O-CD2 3.33Å; F181-D183 PolarHBondContact O-N 2.78Å
182P67.9Low80.3Confident72 Ų7264.3 Ų64.347%0.46837%0.365SS..  trans-53.1137.4170.4-23.933.7000110.3Y187 E188P182-Y187 WeakPolarHBondContact CA-O 3.22Å; P182-E188 HydrophobicContact CG-CB 4.4Å
183D67.1Low80.1Confident78 Ų7863.5 Ų63.542%0.41736%0.356SS..  trans-70-177.4173.171.212.5000111F181 S185 G186 Y187F181-D183 PolarHBondContact O-N 2.78Å; D183-S185 VanDerWaalsContact CG-OG 3.31Å; D183-S185 PolarHBondContact O-N 3.32Å; D183-S185 VanDerWaalsContact O-N 3.13Å; D183-S185 VanDerWaalsContact OD1-CA 3.28Å; D183-S185 WeakPolarHBondContact OD1-CA 3.42Å; D183-S185 VanDerWaalsContact OD1-CB 3.29Å; D183-S185 WeakPolarHBondContact OD1-CB 3.26Å; D183-S185 PolarHBondContact OD1-N 3.45Å; D183-S185 PolarHBondContact OD1-OG 2.94Å; D183-S185 PolarHBondContact OD2-OG 3.26Å; D183-G186 WeakPolarHBondContact O-CA 3.42Å; D183-G186 PolarHBondContact O-N 3.26Å; D183-G186 PolarHBondContact OD1-N 3.16Å; D183-Y187 PolarHBondContact N-O 3.15Å; D183-Y187 VanDerWaalsContact N-O 3.08Å; D183-Y187 PolarHBondContact OD1-N 3.06Å
184T67.3Low79.6Confident159 Ų15962.1 Ų62.198%0.97535%0.349SS*.THydrogen-bonded Turntrans-60.6-19.7177.447.60000114.1G186T184-G186 VanDerWaalsContact C-N 3.3Å
185S62.4Low79.2Confident94 Ų9460.6 Ų60.666%0.65734%0.338SS*.THydrogen-bonded Turntrans-85.5-5.1173.877.20000112.8D183 Y187D183-S185 VanDerWaalsContact CG-OG 3.31Å; D183-S185 PolarHBondContact O-N 3.32Å; D183-S185 VanDerWaalsContact O-N 3.13Å; D183-S185 VanDerWaalsContact OD1-CA 3.28Å; D183-S185 WeakPolarHBondContact OD1-CA 3.42Å; D183-S185 VanDerWaalsContact OD1-CB 3.29Å; D183-S185 WeakPolarHBondContact OD1-CB 3.26Å; D183-S185 PolarHBondContact OD1-N 3.45Å; D183-S185 PolarHBondContact OD1-OG 2.94Å; D183-S185 PolarHBondContact OD2-OG 3.26Å; S185-Y187 VanDerWaalsContact C-N 3.26Å; S185-Y187 WeakPolarHBondContact OG-CB 3.45Å; S185-Y187 PolarHBondContact OG-N 2.89Å
186G68.4Low79.2Confident52 Ų5261.1 Ų61.154%0.53634%0.34SS..  trans805.1-172.300000113.3D183 T184 E188D183-G186 WeakPolarHBondContact O-CA 3.42Å; D183-G186 PolarHBondContact O-N 3.26Å; D183-G186 PolarHBondContact OD1-N 3.16Å; T184-G186 VanDerWaalsContact C-N 3.3Å; G186-E188 PolarHBondContact O-N 3.28Å
187Y66.9Low79.5Confident85 Ų8559.3 Ų59.333%0.33333%0.325SS..  trans-71.5115178.3-178.3-102.5000110.2P182 D183 S185 R189P182-Y187 WeakPolarHBondContact CA-O 3.22Å; D183-Y187 PolarHBondContact N-O 3.15Å; D183-Y187 VanDerWaalsContact N-O 3.08Å; D183-Y187 PolarHBondContact OD1-N 3.06Å; S185-Y187 VanDerWaalsContact C-N 3.26Å; S185-Y187 WeakPolarHBondContact OG-CB 3.45Å; S185-Y187 PolarHBondContact OG-N 2.89Å; Y187-R189 HydrophobicContact CD1-CB 4.32Å; Y187-R189 HydrophobicContact CE1-CB 4.04Å; Y187-R189 PolarHBondContact O-N 2.94Å
188E76.4Confident79.9Confident60 Ų6053 Ų5328%0.2830%0.3SS..  trans-85.388.2177.4-170.3179.6-167.700109.4P182 G186 T190 K191P182-E188 HydrophobicContact CG-CB 4.4Å; G186-E188 PolarHBondContact O-N 3.28Å; E188-T190 VanDerWaalsContact C-N 3.27Å; E188-T190 WeakPolarHBondContact CG-O 3.45Å; E188-T190 PolarHBondContact O-N 3.14Å; E188-K191 IonicContact OE1-NZ 2.66Å; E188-K191 WeakPolarHBondContact OE2-CD 3.46Å; E188-K191 IonicContact OE2-NZ 3.32Å; E188-K191 PolarHBondContact OE2-NZ 2.86Å
189R84.6Confident80.6Confident70 Ų7050.2 Ų50.226%0.26427%0.273SS..SBendtrans-57.3-41.6177.3177.4176.7175.2148.57.2112.4D134 V135 S136 Y187D134-R189 IonicContact OD1-NE 3.66Å; D134-R189 IonicContact OD2-CZ 3.17Å; D134-R189 IonicContact OD2-NE 3.65Å; D134-R189 PolarHBondContact OD2-NE 3.25Å; D134-R189 VanDerWaalsContact OD2-NE 3.08Å; D134-R189 IonicContact OD2-NH2 2.78Å; D134-R189 PolarHBondContact OD2-NH2 3.42Å; D134-R189 VanDerWaalsContact OD2-NH2 3.16Å; V135-R189 WeakPolarHBondContact CB-O 3.04Å; V135-R189 PolarHBondContact N-O 3.07Å; S136-R189 PolarHBondContact OG-NE 2.9Å; Y187-R189 HydrophobicContact CD1-CB 4.32Å; Y187-R189 HydrophobicContact CE1-CB 4.04Å; Y187-R189 PolarHBondContact O-N 2.94Å
190T89.2Confident81.3Confident1 Ų147.3 Ų47.31%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-115.4111.9-179.9-51.20000109.9H132 Y133 F141 F179 L180 E188H132-T190 HydrophobicContact CB-CG2 3.73Å; Y133-T190 CarbonylContact O-C 3.31Å; Y133-T190 VanDerWaalsContact O-CA 3.3Å; Y133-T190 WeakPolarHBondContact O-CA 3.33Å; F141-T190 HydrophobicContact CZ-CG2 4.04Å; F179-T190 WeakPolarHBondContact O-CB 3.31Å; F179-T190 PolarHBondContact O-OG1 3.28Å; L180-T190 HydrophobicContact CD2-CG2 4.2Å; E188-T190 VanDerWaalsContact C-N 3.27Å; E188-T190 WeakPolarHBondContact CG-O 3.45Å; E188-T190 PolarHBondContact O-N 3.14Å
191K89.8Confident81.9Confident58 Ų5848.2 Ų48.225%0.25227%0.265SS..EExtended strand (participates in β ladder)trans-75.3128.1172.1-170.864.4175-178.30110.1H132 Y133 V135 E188 L193 F225H132-K191 WeakPolarHBondContact CA-O 3.26Å; Y133-K191 PolarHBondContact N-O 3.29Å; Y133-K191 PolarHBondContact O-N 2.97Å; V135-K191 HydrophobicContact CG2-CB 4.38Å; E188-K191 IonicContact OE1-NZ 2.66Å; E188-K191 WeakPolarHBondContact OE2-CD 3.46Å; E188-K191 IonicContact OE2-NZ 3.32Å; E188-K191 PolarHBondContact OE2-NZ 2.86Å; K191-L193 HydrophobicContact CG-CD2 4.11Å; K191-F225 HydrophobicContact CB-CE2 4.17Å; K191-F225 HydrophobicContact CB-CZ 3.86Å; K191-F225 HydrophobicContact CD-CZ 4.19Å; K191-F225 HydrophobicContact CG-CE2 4.27Å; K191-F225 HydrophobicContact CG-CZ 3.84Å
192Q90Very high82.9Confident30 Ų3043.8 Ų43.814%0.1425%0.246CC..EExtended strand (participates in β ladder)trans-92.9121.5174-45.1-177.315.700110.9L180 H194L180-Q192 PolarHBondContact O-NE2 2.97Å; Q192-H194 WeakPolarHBondContact CB-CD2 3.39Å; Q192-H194 WeakPolarHBondContact CB-NE2 3.48Å; Q192-H194 PolarHBondContact O-N 3.18Å; Q192-H194 PolarHBondContact OE1-NE2 2.96Å
193L89.4Confident84.2Confident4 Ų440.5 Ų40.52%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-96.662.9-169.3-57.5165.7000111G130 L131 L140 K191 V202G130-L193 PolarHBondContact N-O 3.45Å; L131-L193 HydrophobicContact CB-CB 4.41Å; L131-L193 HydrophobicContact CB-CD1 3.84Å; L131-L193 WeakPolarHBondContact O-CB 3.39Å; L131-L193 PolarHBondContact O-N 3.3Å; L140-L193 HydrophobicContact CD1-CD1 3.32Å; K191-L193 HydrophobicContact CG-CD2 4.11Å; L193-V202 HydrophobicContact CD1-CG2 3.41Å; L193-V202 VanDerWaalsContact CD1-CG2 3.41Å; L193-V202 HydrophobicContact CD2-CG2 3.63Å; L193-V202 HydrophobicContact CG-CG2 4.07Å
194H83.6Confident85.7Confident8 Ų836.8 Ų36.84%0.03721%0.206CC..  trans-92.2-17.8-173.7-61.6-57.9000114.4R129 Q192 Y373R129-H194 WeakPolarHBondContact CD-O 3.29Å; R129-H194 VanDerWaalsContact CG-O 3.26Å; R129-H194 WeakPolarHBondContact CG-O 3.29Å; Q192-H194 WeakPolarHBondContact CB-CD2 3.39Å; Q192-H194 WeakPolarHBondContact CB-NE2 3.48Å; Q192-H194 PolarHBondContact O-N 3.18Å; Q192-H194 PolarHBondContact OE1-NE2 2.96Å; H194-Y373 HydrophobicContact CB-CD2 3.61Å; H194-Y373 HydrophobicContact CB-CE2 3.47Å; H194-Y373 VanDerWaalsContact CB-CE2 3.47Å; H194-Y373 AromaticContact CD2-CD2 3.37Å; H194-Y373 WeakPolarHBondContact CD2-CD2 3.4Å; H194-Y373 AromaticContact CD2-CE2 3.08Å; H194-Y373 WeakPolarHBondContact CD2-CE2 3.47Å; H194-Y373 AromaticContact CD2-CZ 3.75Å; H194-Y373 AromaticContact CE1-CE2 3.6Å; H194-Y373 AromaticContact CE1-CZ 3.73Å; H194-Y373 PolarHBondContact CE1-OH 2.96Å; H194-Y373 AromaticContact CG-CD2 3.53Å; H194-Y373 AromaticContact CG-CE2 3.03Å; H194-Y373 AromaticContact CG-CZ 3.94Å; H194-Y373 AromaticContact ND1-CE2 3.35Å; H194-Y373 WeakPolarHBondContact ND1-CE2 3.43Å; H194-Y373 AromaticContact ND1-CZ 3.9Å; H194-Y373 AromaticContact NE2-CE2 3.4Å; H194-Y373 WeakPolarHBondContact NE2-CE2 3.23Å; H194-Y373 AromaticContact NE2-CZ 3.57Å
195D85.2Confident87.1Confident49 Ų4929.3 Ų29.326%0.26216%0.16SC..SBendtrans-84.4139.8176.3-171-11.1000110.6F197 S198D195-F197 PolarHBondContact O-N 2.92Å; D195-F197 VanDerWaalsContact OD1-CD2 3.28Å; D195-F197 WeakPolarHBondContact OD1-CD2 3.18Å; D195-F197 PolarHBondContact OD1-N 3.33Å; D195-S198 WeakPolarHBondContact O-CB 3.21Å; D195-S198 PolarHBondContact O-N 2.97Å; D195-S198 VanDerWaalsContact O-N 3.12Å; D195-S198 PolarHBondContact O-OG 3.49Å
196L89.3Confident88.8Confident13 Ų1325 Ų257%0.06813%0.13CC..THydrogen-bonded Turntrans-64.9-25.7171.3-75.9168.1000112.8Y86 S198 L199 P392 E393Y86-L196 HydrophobicContact CD1-CB 4.03Å; Y86-L196 HydrophobicContact CD1-CD1 3.26Å; Y86-L196 HydrophobicContact CD1-CG 4.25Å; Y86-L196 HydrophobicContact CD2-CB 3.89Å; Y86-L196 HydrophobicContact CD2-CD1 4.27Å; Y86-L196 HydrophobicContact CE1-CB 3.72Å; Y86-L196 HydrophobicContact CE1-CD1 3.63Å; Y86-L196 HydrophobicContact CE1-CG 4.24Å; Y86-L196 HydrophobicContact CE2-CB 3.59Å; Y86-L196 HydrophobicContact CG-CB 4.1Å; Y86-L196 HydrophobicContact CG-CD1 3.61Å; Y86-L196 HydrophobicContact CG-CG 4.47Å; Y86-L196 VanDerWaalsContact CZ-CB 3.5Å; L196-S198 PolarHBondContact O-N 3.48Å; L196-L199 HydrophobicContact CD2-CD1 3.86Å; L196-L199 PolarHBondContact O-N 2.86Å; L196-P392 HydrophobicContact CD1-CG 4.13Å; L196-E393 WeakPolarHBondContact CD2-OE1 3.39Å
197F89.8Confident90.2Very high29 Ų2922.8 Ų22.813%0.12711%0.105CC..THydrogen-bonded Turntrans-68.3-16.2172.3-66.3-68.6000113.4D85 Y86 Y91 L95 I99 D195 P200 H236 M241D85-F197 HydrophobicContact CB-CE2 4.05Å; D85-F197 HydrophobicContact CB-CZ 4.15Å; Y86-F197 HydrophobicContact CD2-CD2 4.16Å; Y86-F197 AromaticContact CD2-CE2 3.7Å; Y86-F197 HydrophobicContact CD2-CE2 3.7Å; Y86-F197 AromaticContact CD2-CZ 3.93Å; Y86-F197 HydrophobicContact CD2-CZ 3.93Å; Y86-F197 AromaticContact CE2-CD1 3.89Å; Y86-F197 HydrophobicContact CE2-CD1 3.89Å; Y86-F197 AromaticContact CE2-CD2 3.77Å; Y86-F197 HydrophobicContact CE2-CD2 3.77Å; Y86-F197 AromaticContact CE2-CE1 3.65Å; Y86-F197 HydrophobicContact CE2-CE1 3.65Å; Y86-F197 AromaticContact CE2-CE2 3.51Å; Y86-F197 HydrophobicContact CE2-CE2 3.51Å; Y86-F197 AromaticContact CE2-CG 3.96Å; Y86-F197 HydrophobicContact CE2-CG 3.96Å; Y86-F197 AromaticContact CE2-CZ 3.46Å; Y86-F197 HydrophobicContact CE2-CZ 3.46Å; Y86-F197 VanDerWaalsContact CE2-CZ 3.46Å; Y91-F197 HydrophobicContact CE2-CZ 4.33Å; L95-F197 HydrophobicContact CD2-CE1 4.2Å; I99-F197 HydrophobicContact CD1-CD1 3.71Å; I99-F197 HydrophobicContact CD1-CE1 4.08Å; D195-F197 PolarHBondContact O-N 2.92Å; D195-F197 VanDerWaalsContact OD1-CD2 3.28Å; D195-F197 WeakPolarHBondContact OD1-CD2 3.18Å; D195-F197 PolarHBondContact OD1-N 3.33Å; F197-P200 VanDerWaalsContact O-CD 3.29Å; F197-P200 WeakPolarHBondContact O-CD 3.38Å; F197-P200 VanDerWaalsContact O-CG 3.31Å; F197-P200 WeakPolarHBondContact O-CG 3.45Å; F197-H236 AromaticContact CD1-NE2 3.25Å; F197-H236 VanDerWaalsContact CD1-NE2 3.25Å; F197-H236 WeakPolarHBondContact CD1-NE2 3.45Å; F197-H236 AromaticContact CE1-NE2 3.63Å; F197-H236 AromaticContact CG-NE2 3.74Å; F197-M241 HydrophobicContact CE1-SD 3.88Å
198S91Very high91.7Very high14 Ų1418.7 Ų18.710%0.0989%0.09CC..Hα-helixtrans-77.3-19.1176.9730000114D195 L196 E201 V202D195-S198 WeakPolarHBondContact O-CB 3.21Å; D195-S198 PolarHBondContact O-N 2.97Å; D195-S198 VanDerWaalsContact O-N 3.12Å; D195-S198 PolarHBondContact O-OG 3.49Å; L196-S198 PolarHBondContact O-N 3.48Å; S198-E201 WeakPolarHBondContact O-CB 3.38Å; S198-E201 PolarHBondContact O-N 3.34Å; S198-V202 VanDerWaalsContact O-CG2 3.29Å; S198-V202 WeakPolarHBondContact O-CG2 3.45Å; S198-V202 PolarHBondContact O-N 3.14Å
199L94.5Very high92.7Very high20 Ų2015.9 Ų15.911%0.1058%0.077CC..Hα-helixtrans-59.6-47.7-179.1-62178.9000114.2A127 L196 E201 V202 G203A127-L199 HydrophobicContact CB-CD2 4.23Å; L196-L199 HydrophobicContact CD2-CD1 3.86Å; L196-L199 PolarHBondContact O-N 2.86Å; L199-E201 VanDerWaalsContact C-N 3.34Å; L199-V202 PolarHBondContact O-N 2.93Å; L199-G203 PolarHBondContact O-N 3.45Å
200P95.8Very high93.3Very high1 Ų114.1 Ų14.11%0.0067%0.072CC..Hα-helixtrans-64.5-34.8174.324.4-34.9000113.6N96 I99 F197 G203 L204N96-P200 WeakPolarHBondContact O-CB 3.47Å; I99-P200 HydrophobicContact CB-CB 4.16Å; I99-P200 HydrophobicContact CB-CG 3.91Å; I99-P200 HydrophobicContact CD1-CG 4.48Å; I99-P200 HydrophobicContact CG2-CB 4.01Å; I99-P200 HydrophobicContact CG2-CG 3.6Å; F197-P200 VanDerWaalsContact O-CD 3.29Å; F197-P200 WeakPolarHBondContact O-CD 3.38Å; F197-P200 VanDerWaalsContact O-CG 3.31Å; F197-P200 WeakPolarHBondContact O-CG 3.45Å; P200-G203 PolarHBondContact O-N 3.26Å; P200-L204 WeakPolarHBondContact O-CB 3.42Å; P200-L204 PolarHBondContact O-N 3.49Å
201E95.6Very high93.6Very high18 Ų1816 Ų168%0.0848%0.08CC..Hα-helixtrans-59.5-48.2175.3-174.9-177.399.400110.8S198 L199 G203 L204 L205 V228 Q229 T232S198-E201 WeakPolarHBondContact O-CB 3.38Å; S198-E201 PolarHBondContact O-N 3.34Å; L199-E201 VanDerWaalsContact C-N 3.34Å; E201-G203 PolarHBondContact O-N 3.44Å; E201-L204 WeakPolarHBondContact O-CB 3.37Å; E201-L204 PolarHBondContact O-N 3.24Å; E201-L204 VanDerWaalsContact O-N 3.14Å; E201-L205 HydrophobicContact CG-CD1 4.35Å; E201-L205 WeakPolarHBondContact O-CG 3.46Å; E201-L205 PolarHBondContact O-N 3.34Å; E201-V228 HydrophobicContact CG-CG1 4Å; E201-Q229 WeakPolarHBondContact OE2-CA 3.44Å; E201-T232 HydrophobicContact CB-CG2 4.29Å
202V95.7Very high94Very high4 Ų414 Ų142%0.0247%0.071CC..Hα-helixtrans-65.5-39.8178.6175.90000111.8F126 A127 L140 L193 S198 L199 L204 L205 A206F126-V202 HydrophobicContact CD1-CG1 4.48Å; F126-V202 HydrophobicContact CE1-CG1 4.11Å; A127-V202 HydrophobicContact CB-CB 4.27Å; A127-V202 HydrophobicContact CB-CG1 3.73Å; L140-V202 HydrophobicContact CD1-CG1 4.03Å; L140-V202 HydrophobicContact CD2-CG1 3.53Å; L140-V202 HydrophobicContact CG-CG1 4.44Å; L193-V202 HydrophobicContact CD1-CG2 3.41Å; L193-V202 VanDerWaalsContact CD1-CG2 3.41Å; L193-V202 HydrophobicContact CD2-CG2 3.63Å; L193-V202 HydrophobicContact CG-CG2 4.07Å; S198-V202 VanDerWaalsContact O-CG2 3.29Å; S198-V202 WeakPolarHBondContact O-CG2 3.45Å; S198-V202 PolarHBondContact O-N 3.14Å; L199-V202 PolarHBondContact O-N 2.93Å; V202-L204 VanDerWaalsContact C-N 3.27Å; V202-L204 PolarHBondContact O-N 3.36Å; V202-L205 PolarHBondContact O-N 2.88Å; V202-A206 WeakPolarHBondContact O-CB 3.39Å; V202-A206 PolarHBondContact O-N 2.77Å
203G96.9Very high94.3Very high4 Ų417 Ų174%0.0419%0.085CC..Hα-helixtrans-61.7-37.1173.400000112.3L199 P200 E201 N207L199-G203 PolarHBondContact O-N 3.45Å; P200-G203 PolarHBondContact O-N 3.26Å; E201-G203 PolarHBondContact O-N 3.44Å; G203-N207 PolarHBondContact O-N 3.02Å; G203-N207 VanDerWaalsContact O-N 3.11Å
204L97.4Very high94.6Very high0 Ų023.4 Ų23.40%012%0.119CC..Hα-helixtrans-71-46.8177.4-174.651.5000111.7Y100 A103 L104 L107 P200 E201 V202 A206 N207 V208 V228Y100-L204 HydrophobicContact CD2-CB 3.89Å; Y100-L204 VanDerWaalsContact CE2-CA 3.45Å; Y100-L204 HydrophobicContact CE2-CB 3.72Å; Y100-L204 HydrophobicContact CE2-CD1 3.87Å; Y100-L204 HydrophobicContact CE2-CG 4.37Å; A103-L204 HydrophobicContact CB-CD2 3.62Å; L104-L204 HydrophobicContact CB-CD1 4Å; L104-L204 HydrophobicContact CB-CD2 4.48Å; L104-L204 HydrophobicContact CD1-CD1 3.92Å; L104-L204 HydrophobicContact CG-CD1 4.46Å; L107-L204 HydrophobicContact CD1-CD1 4.07Å; L107-L204 HydrophobicContact CD1-CD2 3.62Å; L107-L204 HydrophobicContact CD1-CG 3.83Å; P200-L204 WeakPolarHBondContact O-CB 3.42Å; P200-L204 PolarHBondContact O-N 3.49Å; E201-L204 WeakPolarHBondContact O-CB 3.37Å; E201-L204 PolarHBondContact O-N 3.24Å; E201-L204 VanDerWaalsContact O-N 3.14Å; V202-L204 VanDerWaalsContact C-N 3.27Å; V202-L204 PolarHBondContact O-N 3.36Å; L204-A206 VanDerWaalsContact C-N 3.27Å; L204-A206 PolarHBondContact O-N 3.4Å; L204-N207 PolarHBondContact O-N 3.12Å; L204-V208 HydrophobicContact CD1-CG2 4.09Å; L204-V208 VanDerWaalsContact O-CG2 3.31Å; L204-V208 WeakPolarHBondContact O-CG2 3.18Å; L204-V208 PolarHBondContact O-N 3.08Å; L204-V228 HydrophobicContact CB-CG1 4.01Å; L204-V228 HydrophobicContact CD2-CG1 3.89Å; L204-V228 HydrophobicContact CG-CG1 3.85Å
205L97.3Very high95.2Very high2 Ų227.5 Ų27.51%0.0114%0.141CC..Hα-helixtrans-52.5-47.9171.5-75.8165.4000111.3Y133 E201 V202 N207 V208 I209 L224 F225 V228Y133-L205 HydrophobicContact CE1-CD1 4.37Å; Y133-L205 HydrophobicContact CE2-CD1 4.36Å; E201-L205 HydrophobicContact CG-CD1 4.35Å; E201-L205 WeakPolarHBondContact O-CG 3.46Å; E201-L205 PolarHBondContact O-N 3.34Å; V202-L205 PolarHBondContact O-N 2.88Å; L205-N207 PolarHBondContact O-N 3.39Å; L205-V208 PolarHBondContact O-N 2.97Å; L205-I209 WeakPolarHBondContact O-CB 3.44Å; L205-I209 VanDerWaalsContact O-CG1 3.26Å; L205-I209 WeakPolarHBondContact O-CG1 3.37Å; L205-I209 PolarHBondContact O-N 3.01Å; L205-L224 HydrophobicContact CD2-CG 4.19Å; L205-F225 HydrophobicContact CD1-CD2 3.81Å; L205-F225 HydrophobicContact CD1-CE2 4.24Å; L205-F225 HydrophobicContact CD2-CD2 4.46Å; L205-V228 HydrophobicContact CD2-CB 3.79Å; L205-V228 HydrophobicContact CD2-CG1 4.19Å; L205-V228 HydrophobicContact CD2-CG2 3.67Å; L205-V228 HydrophobicContact CG-CB 4.1Å; L205-V228 HydrophobicContact CG-CG1 3.93Å; L205-V228 HydrophobicContact CG-CG2 4.24Å
206A97.6Very high95.7Very high4 Ų428.4 Ų28.43%0.03316%0.162CC..Hα-helixtrans-62.6-45.1-178.600000112.7F126 K158 V202 L204 D210F126-A206 HydrophobicContact CD1-CB 4.02Å; F126-A206 HydrophobicContact CE1-CB 3.4Å; F126-A206 HydrophobicContact CZ-CB 3.73Å; K158-A206 HydrophobicContact CG-CB 4.17Å; V202-A206 WeakPolarHBondContact O-CB 3.39Å; V202-A206 PolarHBondContact O-N 2.77Å; L204-A206 VanDerWaalsContact C-N 3.27Å; L204-A206 PolarHBondContact O-N 3.4Å; A206-D210 WeakPolarHBondContact O-CB 3.39Å; A206-D210 VanDerWaalsContact O-CG 3.28Å; A206-D210 PolarHBondContact O-N 3.03Å
207N97.6Very high95.9Very high4 Ų430.6 Ų30.62%0.02118%0.176CC..Hα-helixtrans-65.1-38.1178.1-76.35.6000112.3Y100 V120 D121 K158 G203 L204 L205 Y211Y100-N207 PolarHBondContact OH-ND2 3.01Å; V120-N207 HydrophobicContact CG1-CB 4.4Å; V120-N207 WeakPolarHBondContact CG1-ND2 3.46Å; D121-N207 PolarHBondContact O-ND2 2.59Å; D121-N207 VanDerWaalsContact O-ND2 3.14Å; K158-N207 WeakPolarHBondContact CE-OD1 3.48Å; K158-N207 PolarHBondContact NZ-OD1 3.43Å; G203-N207 PolarHBondContact O-N 3.02Å; G203-N207 VanDerWaalsContact O-N 3.11Å; L204-N207 PolarHBondContact O-N 3.12Å; L205-N207 PolarHBondContact O-N 3.39Å; N207-Y211 WeakPolarHBondContact O-CB 3.32Å; N207-Y211 PolarHBondContact O-N 2.92Å; N207-Y211 VanDerWaalsContact O-N 3.11Å
208V97.8Very high96.2Very high0 Ų034.1 Ų34.10%021%0.21CC..Hα-helixtrans-71.3-42.6179.3177.30000111.4Y113 L117 L204 L205 Y211 F212 L224Y113-V208 HydrophobicContact CD1-CG1 3.91Å; Y113-V208 HydrophobicContact CE1-CG1 3.75Å; L117-V208 HydrophobicContact CD1-CG2 4.06Å; L117-V208 HydrophobicContact CD2-CB 4.49Å; L117-V208 HydrophobicContact CD2-CG2 4.08Å; L204-V208 HydrophobicContact CD1-CG2 4.09Å; L204-V208 VanDerWaalsContact O-CG2 3.31Å; L204-V208 WeakPolarHBondContact O-CG2 3.18Å; L204-V208 PolarHBondContact O-N 3.08Å; L205-V208 PolarHBondContact O-N 2.97Å; V208-Y211 PolarHBondContact O-N 3.22Å; V208-F212 HydrophobicContact CG1-CD2 4.03Å; V208-F212 HydrophobicContact CG1-CE1 4.33Å; V208-F212 HydrophobicContact CG1-CE2 3.69Å; V208-F212 HydrophobicContact CG1-CZ 3.84Å; V208-F212 PolarHBondContact O-N 3.02Å; V208-L224 HydrophobicContact CB-CD1 4.24Å; V208-L224 HydrophobicContact CG1-CD1 3.5Å; V208-L224 HydrophobicContact CG1-CD2 4.29Å
209I97.6Very high96.4Very high1 Ų136.4 Ų36.41%0.00522%0.217CC..Hα-helixtrans-60.5-48.5175.6-69.9168.7000110.5R156 L205 Y211 F212 E213 Y219 L224R156-I209 HydrophobicContact CG-CG2 4.05Å; L205-I209 WeakPolarHBondContact O-CB 3.44Å; L205-I209 VanDerWaalsContact O-CG1 3.26Å; L205-I209 WeakPolarHBondContact O-CG1 3.37Å; L205-I209 PolarHBondContact O-N 3.01Å; I209-Y211 VanDerWaalsContact C-N 3.29Å; I209-Y211 PolarHBondContact O-N 3.47Å; I209-F212 PolarHBondContact O-N 3.38Å; I209-E213 HydrophobicContact CG2-CG 4.08Å; I209-E213 WeakPolarHBondContact O-CB 3.47Å; I209-E213 VanDerWaalsContact O-CG 3.27Å; I209-E213 WeakPolarHBondContact O-CG 3.22Å; I209-E213 PolarHBondContact O-N 3.16Å; I209-Y219 HydrophobicContact CG1-CE2 4.45Å; I209-Y219 WeakPolarHBondContact CG2-OH 3.31Å; I209-L224 HydrophobicContact CD1-CD2 4.29Å; I209-L224 HydrophobicContact CG1-CD2 3.53Å
210D97.2Very high96.5Very high32 Ų3239.7 Ų39.717%0.17124%0.235CC..Hα-helixtrans-56-46.1177-74.1-8.7000111.1G157 K158 A206 F212 E213 D214G157-D210 WeakPolarHBondContact CA-OD1 3.4Å; K158-D210 VanDerWaalsContact CB-OD2 3.22Å; K158-D210 WeakPolarHBondContact CB-OD2 3.25Å; K158-D210 WeakPolarHBondContact CD-OD2 3.35Å; K158-D210 WeakPolarHBondContact CG-OD2 3.42Å; K158-D210 PolarHBondContact N-OD1 3.09Å; K158-D210 IonicContact NZ-OD2 3.47Å; A206-D210 WeakPolarHBondContact O-CB 3.39Å; A206-D210 VanDerWaalsContact O-CG 3.28Å; A206-D210 PolarHBondContact O-N 3.03Å; D210-F212 PolarHBondContact O-N 2.78Å; D210-E213 PolarHBondContact O-N 2.6Å; D210-D214 VanDerWaalsContact O-CB 3.29Å; D210-D214 WeakPolarHBondContact O-CB 3.25Å; D210-D214 VanDerWaalsContact O-CG 3.24Å; D210-D214 PolarHBondContact O-N 3.13Å
211Y97.3Very high96.4Very high42 Ų4240.5 Ų40.517%0.16524%0.24CC..Hα-helixtrans-61.1-43.6178.3179.4-86.2000112.3P114 E116 L117 N207 V208 I209 N215P114-Y211 HydrophobicContact CB-CE1 3.68Å; P114-Y211 HydrophobicContact CG-CD1 4.33Å; P114-Y211 HydrophobicContact CG-CE1 3.56Å; E116-Y211 HydrophobicContact CB-CE2 3.61Å; E116-Y211 HydrophobicContact CG-CE2 4.46Å; L117-Y211 VanDerWaalsContact CD2-CB 3.48Å; L117-Y211 HydrophobicContact CD2-CD1 4.12Å; L117-Y211 HydrophobicContact CD2-CD2 4.1Å; L117-Y211 HydrophobicContact CD2-CG 3.62Å; L117-Y211 HydrophobicContact CG-CD1 4.44Å; L117-Y211 HydrophobicContact CG-CG 4.24Å; N207-Y211 WeakPolarHBondContact O-CB 3.32Å; N207-Y211 PolarHBondContact O-N 2.92Å; N207-Y211 VanDerWaalsContact O-N 3.11Å; V208-Y211 PolarHBondContact O-N 3.22Å; I209-Y211 VanDerWaalsContact C-N 3.29Å; I209-Y211 PolarHBondContact O-N 3.47Å; Y211-N215 WeakPolarHBondContact O-CB 3.34Å; Y211-N215 PolarHBondContact O-N 2.93Å; Y211-N215 VanDerWaalsContact O-N 3.14Å; Y211-N215 PolarHBondContact O-ND2 3.19Å
212F97.3Very high96.3Very high16 Ų1640.4 Ų40.47%0.0724%0.243CC..Hα-helixtrans-66.8-43.4179-72.6-16000112.4Y113 P114 V208 I209 D210 N215 G216 V217 Y219 L224Y113-F212 AromaticContact CD1-CZ 3.78Å; Y113-F212 HydrophobicContact CD1-CZ 3.78Å; Y113-F212 AromaticContact CE1-CE2 3.97Å; Y113-F212 HydrophobicContact CE1-CE2 3.97Å; Y113-F212 AromaticContact CE1-CZ 3.59Å; Y113-F212 HydrophobicContact CE1-CZ 3.59Å; P114-F212 HydrophobicContact CG-CE1 4.35Å; V208-F212 HydrophobicContact CG1-CD2 4.03Å; V208-F212 HydrophobicContact CG1-CE1 4.33Å; V208-F212 HydrophobicContact CG1-CE2 3.69Å; V208-F212 HydrophobicContact CG1-CZ 3.84Å; V208-F212 PolarHBondContact O-N 3.02Å; I209-F212 PolarHBondContact O-N 3.38Å; D210-F212 PolarHBondContact O-N 2.78Å; F212-N215 CarbonylContact O-C 3.51Å; F212-N215 PolarHBondContact O-N 3.49Å; F212-G216 PolarHBondContact O-N 2.81Å; F212-V217 HydrophobicContact CB-CB 4Å; F212-V217 HydrophobicContact CD1-CB 3.74Å; F212-V217 HydrophobicContact CD1-CG1 3.75Å; F212-V217 HydrophobicContact CD1-CG2 4.11Å; F212-V217 HydrophobicContact CE1-CB 4.49Å; F212-V217 HydrophobicContact CE1-CG1 4.05Å; F212-V217 HydrophobicContact CG-CB 4.02Å; F212-V217 HydrophobicContact CG-CG1 4.12Å; F212-V217 PolarHBondContact O-N 2.82Å; F212-Y219 HydrophobicContact CB-CD1 3.56Å; F212-Y219 HydrophobicContact CB-CE1 3.75Å; F212-Y219 HydrophobicContact CB-CG 4.47Å; F212-Y219 AromaticContact CD2-CD1 3.54Å; F212-Y219 HydrophobicContact CD2-CD1 3.54Å; F212-Y219 HydrophobicContact CD2-CD2 4.34Å; F212-Y219 HydrophobicContact CD2-CE1 4.26Å; F212-Y219 AromaticContact CD2-CG 3.59Å; F212-Y219 HydrophobicContact CD2-CG 3.59Å; F212-Y219 HydrophobicContact CE2-CG 4.27Å; F212-Y219 AromaticContact CG-CD1 3.97Å; F212-Y219 HydrophobicContact CG-CD1 3.97Å; F212-Y219 HydrophobicContact CG-CG 4.45Å; F212-L224 HydrophobicContact CE2-CD1 4.26Å
213E95.8Very high96.3Very high93 Ų9343.3 Ų43.344%0.43526%0.263SS..Hα-helixtrans-63.9-45.2177.4-66.1-83.2-165.100111.1I209 D210 N215 G216 Y219I209-E213 HydrophobicContact CG2-CG 4.08Å; I209-E213 WeakPolarHBondContact O-CB 3.47Å; I209-E213 VanDerWaalsContact O-CG 3.27Å; I209-E213 WeakPolarHBondContact O-CG 3.22Å; I209-E213 PolarHBondContact O-N 3.16Å; D210-E213 PolarHBondContact O-N 2.6Å; E213-N215 VanDerWaalsContact C-N 3.26Å; E213-N215 PolarHBondContact O-N 3.01Å; E213-G216 PolarHBondContact O-N 2.81Å; E213-Y219 HydrophobicContact CG-CE1 4.36Å; E213-Y219 PolarHBondContact OE1-OH 3.26Å
214D95.9Very high96.2Very high138 Ų13843.2 Ų43.274%0.73826%0.262SS*.Hα-helixtrans-65.9-27.2179.8-74.1-15.5000113.1D210D210-D214 VanDerWaalsContact O-CB 3.29Å; D210-D214 WeakPolarHBondContact O-CB 3.25Å; D210-D214 VanDerWaalsContact O-CG 3.24Å; D210-D214 PolarHBondContact O-N 3.13Å
215N96.5Very high96.1Very high93 Ų9343.4 Ų43.450%0.49726%0.263SS..THydrogen-bonded Turntrans-104.75.4-179.7-67.5-84.7000113.6Y211 F212 E213 V217Y211-N215 WeakPolarHBondContact O-CB 3.34Å; Y211-N215 PolarHBondContact O-N 2.93Å; Y211-N215 VanDerWaalsContact O-N 3.14Å; Y211-N215 PolarHBondContact O-ND2 3.19Å; F212-N215 CarbonylContact O-C 3.51Å; F212-N215 PolarHBondContact O-N 3.49Å; E213-N215 VanDerWaalsContact C-N 3.26Å; E213-N215 PolarHBondContact O-N 3.01Å; N215-V217 HydrophobicContact CB-CG2 4.08Å; N215-V217 PolarHBondContact O-N 2.91Å
216G95Very high96Very high68 Ų6847.3 Ų47.370%0.70128%0.281SS*.THydrogen-bonded Turntrans61.528.7-179.800000114.2F212 E213F212-G216 PolarHBondContact O-N 2.81Å; E213-G216 PolarHBondContact O-N 2.81Å
217V95.3Very high95.9Very high60 Ų6049.1 Ų49.136%0.36429%0.29SS..  trans-78.6121.4177.1179.90000108.4F212 N215 Y219F212-V217 HydrophobicContact CB-CB 4Å; F212-V217 HydrophobicContact CD1-CB 3.74Å; F212-V217 HydrophobicContact CD1-CG1 3.75Å; F212-V217 HydrophobicContact CD1-CG2 4.11Å; F212-V217 HydrophobicContact CE1-CB 4.49Å; F212-V217 HydrophobicContact CE1-CG1 4.05Å; F212-V217 HydrophobicContact CG-CB 4.02Å; F212-V217 HydrophobicContact CG-CG1 4.12Å; F212-V217 PolarHBondContact O-N 2.82Å; N215-V217 HydrophobicContact CB-CG2 4.08Å; N215-V217 PolarHBondContact O-N 2.91Å; V217-Y219 WeakPolarHBondContact O-CD1 3.29Å
218A95.3Very high95.9Very high102 Ų10248.9 Ų48.984%0.84329%0.289SS*.  trans-72.5133.417300000110.5
219Y95.6Very high95.7Very high62 Ų6251.6 Ų51.624%0.24330%0.301CS..  trans-144158179.165.4-86.2000111.4I209 F212 E213 V217 L224I209-Y219 HydrophobicContact CG1-CE2 4.45Å; I209-Y219 WeakPolarHBondContact CG2-OH 3.31Å; F212-Y219 HydrophobicContact CB-CD1 3.56Å; F212-Y219 HydrophobicContact CB-CE1 3.75Å; F212-Y219 HydrophobicContact CB-CG 4.47Å; F212-Y219 AromaticContact CD2-CD1 3.54Å; F212-Y219 HydrophobicContact CD2-CD1 3.54Å; F212-Y219 HydrophobicContact CD2-CD2 4.34Å; F212-Y219 HydrophobicContact CD2-CE1 4.26Å; F212-Y219 AromaticContact CD2-CG 3.59Å; F212-Y219 HydrophobicContact CD2-CG 3.59Å; F212-Y219 HydrophobicContact CE2-CG 4.27Å; F212-Y219 AromaticContact CG-CD1 3.97Å; F212-Y219 HydrophobicContact CG-CD1 3.97Å; F212-Y219 HydrophobicContact CG-CG 4.45Å; E213-Y219 HydrophobicContact CG-CE1 4.36Å; E213-Y219 PolarHBondContact OE1-OH 3.26Å; V217-Y219 WeakPolarHBondContact O-CD1 3.29Å; Y219-L224 HydrophobicContact CD2-CD2 3.98Å; Y219-L224 HydrophobicContact CE2-CD2 4.12Å
220D95.4Very high95.5Very high90 Ų9055.8 Ų55.848%0.48132%0.32SS..  trans-99.2123.3169.317264.1000109.4A222 S223 L224D220-A222 VanDerWaalsContact C-N 3.29Å; D220-A222 PolarHBondContact O-N 3.3Å; D220-A222 PolarHBondContact OD2-N 2.8Å; D220-S223 PolarHBondContact O-N 3.39Å; D220-S223 VanDerWaalsContact OD2-CB 3.29Å; D220-S223 WeakPolarHBondContact OD2-CB 3.44Å; D220-S223 PolarHBondContact OD2-N 2.93Å; D220-S223 PolarHBondContact OD2-OG 2.84Å; D220-L224 WeakPolarHBondContact O-CB 3.4Å; D220-L224 PolarHBondContact O-N 2.89Å
221S94.7Very high95.4Very high17 Ų1754.2 Ų54.212%0.11931%0.312CS..Hα-helixtrans-60.4-37.4-174.4-62.80000112.9V135 S136 F225V135-S221 CarbonylContact O-C 3.59Å; V135-S221 VanDerWaalsContact O-CB 3.32Å; V135-S221 WeakPolarHBondContact O-CB 3.38Å; S136-S221 WeakPolarHBondContact O-CB 3.39Å; S221-F225 WeakPolarHBondContact O-CB 3.02Å; S221-F225 PolarHBondContact O-N 3.01Å
222A93.4Very high95.2Very high17 Ų1752.5 Ų52.514%0.1431%0.306CS..Hα-helixtrans-71.1-46.4-179.100000111.2V135 D220 L224 F225 H226V135-A222 HydrophobicContact CG1-CB 3.98Å; V135-A222 PolarHBondContact O-N 2.85Å; D220-A222 VanDerWaalsContact C-N 3.29Å; D220-A222 PolarHBondContact O-N 3.3Å; D220-A222 PolarHBondContact OD2-N 2.8Å; A222-L224 PolarHBondContact O-N 2.94Å; A222-F225 WeakPolarHBondContact O-CB 3.39Å; A222-F225 PolarHBondContact O-N 2.84Å; A222-H226 PolarHBondContact O-CD2 3.04Å; A222-H226 PolarHBondContact O-N 3.39Å
223S94.5Very high94.9Very high64 Ų6456.9 Ų56.945%0.44832%0.322SS..Hα-helixtrans-59.4-46.4176.2-58.50000111.4D220 F225 H226 D227D220-S223 PolarHBondContact O-N 3.39Å; D220-S223 VanDerWaalsContact OD2-CB 3.29Å; D220-S223 WeakPolarHBondContact OD2-CB 3.44Å; D220-S223 PolarHBondContact OD2-N 2.93Å; D220-S223 PolarHBondContact OD2-OG 2.84Å; S223-F225 VanDerWaalsContact C-N 3.34Å; S223-F225 PolarHBondContact O-N 3.27Å; S223-H226 PolarHBondContact O-N 3.4Å; S223-D227 PolarHBondContact O-N 3.25Å
224L96.5Very high94.7Very high2 Ų254.3 Ų54.31%0.0131%0.311CS..Hα-helixtrans-57.4-47.4174.9172.461.3000111.5Y113 L205 V208 I209 F212 Y219 D220 A222 H226 D227 V228Y113-L224 HydrophobicContact CE1-CD1 3.62Å; Y113-L224 WeakPolarHBondContact OH-CD1 3.39Å; L205-L224 HydrophobicContact CD2-CG 4.19Å; V208-L224 HydrophobicContact CB-CD1 4.24Å; V208-L224 HydrophobicContact CG1-CD1 3.5Å; V208-L224 HydrophobicContact CG1-CD2 4.29Å; I209-L224 HydrophobicContact CD1-CD2 4.29Å; I209-L224 HydrophobicContact CG1-CD2 3.53Å; F212-L224 HydrophobicContact CE2-CD1 4.26Å; Y219-L224 HydrophobicContact CD2-CD2 3.98Å; Y219-L224 HydrophobicContact CE2-CD2 4.12Å; D220-L224 WeakPolarHBondContact O-CB 3.4Å; D220-L224 PolarHBondContact O-N 2.89Å; A222-L224 PolarHBondContact O-N 2.94Å; L224-H226 VanDerWaalsContact C-N 3.35Å; L224-H226 PolarHBondContact O-N 2.84Å; L224-D227 PolarHBondContact O-N 3.11Å; L224-V228 HydrophobicContact CD1-CG2 3.95Å; L224-V228 VanDerWaalsContact O-CG2 3.32Å; L224-V228 WeakPolarHBondContact O-CG2 3.35Å; L224-V228 PolarHBondContact O-N 3.29Å
225F95.4Very high94.5Very high5 Ų547.7 Ų47.72%0.02228%0.276CS..Hα-helixtrans-57.5-47.5177.7174.2-97.3000112.2Y133 V135 K191 L205 S221 A222 S223 D227 V228 Q229Y133-F225 AromaticContact CD1-CD2 3.66Å; Y133-F225 HydrophobicContact CD1-CD2 3.66Å; Y133-F225 AromaticContact CD1-CE2 3.94Å; Y133-F225 HydrophobicContact CD1-CE2 3.94Å; Y133-F225 HydrophobicContact CD1-CG 4.49Å; Y133-F225 HydrophobicContact CE1-CB 4.18Å; Y133-F225 AromaticContact CE1-CD2 3.49Å; Y133-F225 HydrophobicContact CE1-CD2 3.49Å; Y133-F225 VanDerWaalsContact CE1-CD2 3.49Å; Y133-F225 HydrophobicContact CE1-CE2 4.24Å; Y133-F225 HydrophobicContact CE1-CG 4.1Å; V135-F225 HydrophobicContact CB-CD1 4.31Å; V135-F225 HydrophobicContact CB-CG 4.44Å; V135-F225 HydrophobicContact CG1-CB 3.94Å; V135-F225 HydrophobicContact CG1-CD1 3.62Å; V135-F225 HydrophobicContact CG1-CE1 4.37Å; V135-F225 HydrophobicContact CG1-CG 3.88Å; V135-F225 HydrophobicContact CG2-CD1 3.71Å; V135-F225 HydrophobicContact CG2-CD2 4.2Å; V135-F225 HydrophobicContact CG2-CE1 3.73Å; V135-F225 HydrophobicContact CG2-CE2 4.23Å; V135-F225 HydrophobicContact CG2-CG 3.94Å; V135-F225 HydrophobicContact CG2-CZ 4Å; K191-F225 HydrophobicContact CB-CE2 4.17Å; K191-F225 HydrophobicContact CB-CZ 3.86Å; K191-F225 HydrophobicContact CD-CZ 4.19Å; K191-F225 HydrophobicContact CG-CE2 4.27Å; K191-F225 HydrophobicContact CG-CZ 3.84Å; L205-F225 HydrophobicContact CD1-CD2 3.81Å; L205-F225 HydrophobicContact CD1-CE2 4.24Å; L205-F225 HydrophobicContact CD2-CD2 4.46Å; S221-F225 WeakPolarHBondContact O-CB 3.02Å; S221-F225 PolarHBondContact O-N 3.01Å; A222-F225 WeakPolarHBondContact O-CB 3.39Å; A222-F225 PolarHBondContact O-N 2.84Å; S223-F225 VanDerWaalsContact C-N 3.34Å; S223-F225 PolarHBondContact O-N 3.27Å; F225-D227 PolarHBondContact O-N 2.94Å; F225-V228 PolarHBondContact O-N 3.45Å; F225-Q229 VanDerWaalsContact O-CB 3.28Å; F225-Q229 WeakPolarHBondContact O-CB 3.11Å; F225-Q229 PolarHBondContact O-N 2.55Å
226H94.1Very high94Very high84 Ų8445.1 Ų45.139%0.38926%0.261SS..Hα-helixtrans-65.1-38.8-179.6-71.5-56.5000112.9A222 S223 L224 H230A222-H226 PolarHBondContact O-CD2 3.04Å; A222-H226 PolarHBondContact O-N 3.39Å; S223-H226 PolarHBondContact O-N 3.4Å; L224-H226 VanDerWaalsContact C-N 3.35Å; L224-H226 PolarHBondContact O-N 2.84Å; H226-H230 VanDerWaalsContact O-CB 3.27Å; H226-H230 WeakPolarHBondContact O-CB 3.18Å; H226-H230 PolarHBondContact O-N 3.35Å
227D96.4Very high93.6Very high41 Ų4146.7 Ų46.722%0.21925%0.252CS..Hα-helixtrans-62-48.7175.2-75.1-12.8000111.5L107 Y111 Y113 S223 L224 F225 H230 A231L107-D227 HydrophobicContact CD2-CB 4.07Å; Y111-D227 HydrophobicContact CD1-CB 4.17Å; Y111-D227 WeakPolarHBondContact CD1-OD1 3.33Å; Y111-D227 HydrophobicContact CE1-CB 4.19Å; Y111-D227 WeakPolarHBondContact CE1-OD1 3.29Å; Y113-D227 HydrophobicContact CE2-CB 4.28Å; Y113-D227 WeakPolarHBondContact CE2-OD2 3.07Å; Y113-D227 PolarHBondContact OH-OD2 3.35Å; S223-D227 PolarHBondContact O-N 3.25Å; L224-D227 PolarHBondContact O-N 3.11Å; F225-D227 PolarHBondContact O-N 2.94Å; D227-H230 PolarHBondContact O-N 2.86Å; D227-A231 WeakPolarHBondContact O-CB 3.39Å; D227-A231 PolarHBondContact O-N 3.2Å
228V96.3Very high93.2Very high0 Ų046.1 Ų46.10%025%0.251CS..Hα-helixtrans-65.8-42.1-179.7-178.80000111.4L107 E201 L204 L205 L224 F225 A231 T232L107-V228 HydrophobicContact CD1-CG2 3.83Å; L107-V228 HydrophobicContact CD2-CG2 4.38Å; E201-V228 HydrophobicContact CG-CG1 4Å; L204-V228 HydrophobicContact CB-CG1 4.01Å; L204-V228 HydrophobicContact CD2-CG1 3.89Å; L204-V228 HydrophobicContact CG-CG1 3.85Å; L205-V228 HydrophobicContact CD2-CB 3.79Å; L205-V228 HydrophobicContact CD2-CG1 4.19Å; L205-V228 HydrophobicContact CD2-CG2 3.67Å; L205-V228 HydrophobicContact CG-CB 4.1Å; L205-V228 HydrophobicContact CG-CG1 3.93Å; L205-V228 HydrophobicContact CG-CG2 4.24Å; L224-V228 HydrophobicContact CD1-CG2 3.95Å; L224-V228 VanDerWaalsContact O-CG2 3.32Å; L224-V228 WeakPolarHBondContact O-CG2 3.35Å; L224-V228 PolarHBondContact O-N 3.29Å; F225-V228 PolarHBondContact O-N 3.45Å; V228-A231 PolarHBondContact O-N 3.23Å; V228-T232 WeakPolarHBondContact O-CB 3.24Å; V228-T232 PolarHBondContact O-N 3.14Å; V228-T232 PolarHBondContact O-OG1 3.14Å
229Q93.4Very high92.9Very high57 Ų5741.8 Ų41.827%0.26622%0.217SC..Hα-helixtrans-60.8-47.2175.2178.2178.684.400111E201 F225 T232 R233E201-Q229 WeakPolarHBondContact OE2-CA 3.44Å; F225-Q229 VanDerWaalsContact O-CB 3.28Å; F225-Q229 WeakPolarHBondContact O-CB 3.11Å; F225-Q229 PolarHBondContact O-N 2.55Å; Q229-T232 PolarHBondContact O-N 2.91Å; Q229-R233 WeakPolarHBondContact O-CB 3.32Å; Q229-R233 PolarHBondContact O-N 3.23Å
230H93.4Very high92.7Very high88 Ų8840.6 Ų40.641%0.40721%0.214SC..Hα-helixtrans-64.9-43179.5-172.5-95.3000111.6Y111 H226 D227 T232 R233 L234Y111-H230 AromaticContact CZ-ND1 3.93Å; Y111-H230 PolarHBondContact OH-ND1 3.46Å; H226-H230 VanDerWaalsContact O-CB 3.27Å; H226-H230 WeakPolarHBondContact O-CB 3.18Å; H226-H230 PolarHBondContact O-N 3.35Å; D227-H230 PolarHBondContact O-N 2.86Å; H230-T232 VanDerWaalsContact C-N 3.32Å; H230-T232 PolarHBondContact O-N 3.4Å; H230-R233 PolarHBondContact O-N 3.35Å; H230-L234 WeakPolarHBondContact O-CG 3.33Å; H230-L234 PolarHBondContact O-N 3.26Å
231A95.4Very high92.6Very high0 Ų036.4 Ų36.40%019%0.192CC..Hα-helixtrans-58.4-42.7175.100000112.2R106 L107 D227 V228 L234 V235R106-A231 HydrophobicContact CB-CB 4.11Å; R106-A231 WeakPolarHBondContact CD-O 3.47Å; L107-A231 HydrophobicContact CD2-CB 3.72Å; L107-A231 HydrophobicContact CG-CB 3.78Å; D227-A231 WeakPolarHBondContact O-CB 3.39Å; D227-A231 PolarHBondContact O-N 3.2Å; V228-A231 PolarHBondContact O-N 3.23Å; A231-L234 PolarHBondContact O-N 2.87Å; A231-V235 PolarHBondContact O-N 3.33Å
232T92.8Very high92.4Very high5 Ų536.7 Ų36.73%0.03119%0.19CC..Hα-helixtrans-68.8-40.5177.4-55.10000112I99 E201 V228 Q229 H230 L234 V235 H236I99-T232 HydrophobicContact CG2-CG2 4.03Å; E201-T232 HydrophobicContact CB-CG2 4.29Å; V228-T232 WeakPolarHBondContact O-CB 3.24Å; V228-T232 PolarHBondContact O-N 3.14Å; V228-T232 PolarHBondContact O-OG1 3.14Å; Q229-T232 PolarHBondContact O-N 2.91Å; H230-T232 VanDerWaalsContact C-N 3.32Å; H230-T232 PolarHBondContact O-N 3.4Å; T232-L234 VanDerWaalsContact C-N 3.33Å; T232-L234 PolarHBondContact O-N 3.44Å; T232-V235 WeakPolarHBondContact O-CB 3.38Å; T232-V235 PolarHBondContact O-N 3.3Å; T232-H236 PolarHBondContact O-ND1 3.13Å; T232-H236 VanDerWaalsContact O-ND1 3.08Å
233R91Very high92.3Very high109 Ų10942.6 Ų42.641%0.41121%0.209SC..Hα-helixtrans-60.9-42175.4-171179.4-175.5-178.13.1111.8Q229 H230 V235 H236 L237 E311Q229-R233 WeakPolarHBondContact O-CB 3.32Å; Q229-R233 PolarHBondContact O-N 3.23Å; H230-R233 PolarHBondContact O-N 3.35Å; R233-V235 PolarHBondContact O-N 3.39Å; R233-H236 PolarHBondContact O-N 3.36Å; R233-L237 HydrophobicContact CG-CD1 3.91Å; R233-L237 HydrophobicContact CG-CG 4.23Å; R233-L237 PolarHBondContact O-N 3.3Å; R233-E311 IonicContact NH2-OE2 3.52Å
234L91.8Very high92.3Very high38 Ų3840.5 Ų40.520%0.19920%0.196CC..Hα-helixtrans-61.9-27.1177.7-73.8177.8000113.4H230 A231 T232 H236 S238H230-L234 WeakPolarHBondContact O-CG 3.33Å; H230-L234 PolarHBondContact O-N 3.26Å; A231-L234 PolarHBondContact O-N 2.87Å; T232-L234 VanDerWaalsContact C-N 3.33Å; T232-L234 PolarHBondContact O-N 3.44Å; L234-H236 VanDerWaalsContact C-N 3.27Å; L234-H236 PolarHBondContact O-N 3.39Å; L234-S238 WeakPolarHBondContact O-CB 3.29Å; L234-S238 PolarHBondContact O-N 2.68Å; L234-S238 PolarHBondContact O-OG 3.19Å
235V91.8Very high92.1Very high0 Ų040.5 Ų40.50%020%0.195CC..Hα-helixtrans-62.2-37.2174175.50000111.5I99 L102 A103 A231 T232 R233 S238 M241I99-V235 HydrophobicContact CG2-CG1 4.45Å; L102-V235 HydrophobicContact CB-CB 4.44Å; L102-V235 HydrophobicContact CB-CG1 3.93Å; L102-V235 HydrophobicContact CB-CG2 3.62Å; L102-V235 HydrophobicContact CD1-CG1 3.69Å; L102-V235 HydrophobicContact CG-CG1 4.48Å; A103-V235 HydrophobicContact CB-CG2 4.14Å; A231-V235 PolarHBondContact O-N 3.33Å; T232-V235 WeakPolarHBondContact O-CB 3.38Å; T232-V235 PolarHBondContact O-N 3.3Å; R233-V235 PolarHBondContact O-N 3.39Å; V235-S238 PolarHBondContact O-OG 3.19Å; V235-M241 HydrophobicContact CG1-CB 3.99Å
236H86.2Confident91.8Very high39 Ų3942.7 Ų42.718%0.18121%0.207CC..Hα-helixtrans-78.1-46.3177.8-62.680.7000111.1F197 T232 R233 L234 S238 G239 M241 Y242F197-H236 AromaticContact CD1-NE2 3.25Å; F197-H236 VanDerWaalsContact CD1-NE2 3.25Å; F197-H236 WeakPolarHBondContact CD1-NE2 3.45Å; F197-H236 AromaticContact CE1-NE2 3.63Å; F197-H236 AromaticContact CG-NE2 3.74Å; T232-H236 PolarHBondContact O-ND1 3.13Å; T232-H236 VanDerWaalsContact O-ND1 3.08Å; R233-H236 PolarHBondContact O-N 3.36Å; L234-H236 VanDerWaalsContact C-N 3.27Å; L234-H236 PolarHBondContact O-N 3.39Å; H236-S238 PolarHBondContact O-N 3.11Å; H236-G239 PolarHBondContact O-N 3.15Å; H236-M241 WeakPolarHBondContact CD2-CE 3.06Å; H236-Y242 WeakPolarHBondContact O-CE2 3.49Å
237L86.3Confident91.8Very high100 Ų10046.6 Ų46.652%0.52423%0.225SC..Hα-helixtrans-66.8-36.6-177-66.4177000113.6R233 G239R233-L237 HydrophobicContact CG-CD1 3.91Å; R233-L237 HydrophobicContact CG-CG 4.23Å; R233-L237 PolarHBondContact O-N 3.3Å; L237-G239 PolarHBondContact O-N 2.92Å
238S88.2Confident91.6Very high49 Ų4948.7 Ų48.734%0.34324%0.236SC..THydrogen-bonded Turntrans-70.3-17.4177.558.20000113.7R106 L234 V235 H236 D240R106-S238 VanDerWaalsContact NH2-CB 3.28Å; R106-S238 PolarHBondContact NH2-OG 3.21Å; L234-S238 WeakPolarHBondContact O-CB 3.29Å; L234-S238 PolarHBondContact O-N 2.68Å; L234-S238 PolarHBondContact O-OG 3.19Å; V235-S238 PolarHBondContact O-OG 3.19Å; H236-S238 PolarHBondContact O-N 3.11Å; S238-D240 PolarHBondContact O-N 2.93Å; S238-D240 VanDerWaalsContact OG-CG 3.22Å; S238-D240 PolarHBondContact OG-N 3.21Å; S238-D240 PolarHBondContact OG-OD2 2.74Å
239G88.2Confident91.2Very high11 Ų1149.1 Ų49.111%0.11324%0.239CC..SBendtrans72.78.6-173.400000115.1H236 L237 M241 Y242 R243H236-G239 PolarHBondContact O-N 3.15Å; L237-G239 PolarHBondContact O-N 2.92Å; G239-M241 VanDerWaalsContact C-N 3.28Å; G239-M241 PolarHBondContact O-N 2.89Å; G239-Y242 PolarHBondContact O-N 3.41Å; G239-R243 WeakPolarHBondContact O-CG 2.94Å; G239-R243 PolarHBondContact O-N 3.02Å
240D91.1Very high91Very high37 Ų3750 Ų5020%0.19826%0.256CS..Hα-helixtrans-55.8-45176.1-69.1-14.9000111.5L102 R106 S238 R243 A244L102-D240 HydrophobicContact CD1-CB 4.05Å; R106-D240 IonicContact CZ-OD2 3.69Å; R106-D240 IonicContact NH2-OD2 3.78Å; R106-D240 PolarHBondContact NH2-OD2 2.96Å; S238-D240 PolarHBondContact O-N 2.93Å; S238-D240 VanDerWaalsContact OG-CG 3.22Å; S238-D240 PolarHBondContact OG-N 3.21Å; S238-D240 PolarHBondContact OG-OD2 2.74Å; D240-R243 PolarHBondContact O-N 2.95Å; D240-R243 IonicContact OD1-CZ 3.92Å; D240-R243 IonicContact OD1-NH2 2.63Å; D240-R243 PolarHBondContact OD1-NH2 2.81Å; D240-A244 WeakPolarHBondContact O-CB 3.48Å; D240-A244 PolarHBondContact O-N 2.95Å; D240-A244 VanDerWaalsContact O-N 3.08Å
241M93Very high91Very high1 Ų147 Ų471%0.00525%0.248CC..Hα-helixtrans-59.9-51175.8178.9-166.358.500111.4L95 I99 F197 V235 H236 G239 R243 A244 V245L95-M241 HydrophobicContact CD1-CG 3.88Å; L95-M241 HydrophobicContact CD1-SD 4.24Å; I99-M241 HydrophobicContact CD1-SD 3.83Å; I99-M241 HydrophobicContact CG1-CG 4.33Å; I99-M241 HydrophobicContact CG1-SD 4.12Å; F197-M241 HydrophobicContact CE1-SD 3.88Å; V235-M241 HydrophobicContact CG1-CB 3.99Å; H236-M241 WeakPolarHBondContact CD2-CE 3.06Å; G239-M241 VanDerWaalsContact C-N 3.28Å; G239-M241 PolarHBondContact O-N 2.89Å; M241-R243 VanDerWaalsContact C-N 3.32Å; M241-R243 PolarHBondContact O-N 3.03Å; M241-A244 PolarHBondContact O-N 3.31Å; M241-V245 HydrophobicContact CG-CG2 4.43Å; M241-V245 VanDerWaalsContact O-CG2 3.31Å; M241-V245 WeakPolarHBondContact O-CG2 3.11Å; M241-V245 PolarHBondContact O-N 2.88Å
242Y90.7Very high90.9Very high24 Ų2448.9 Ų48.99%0.09426%0.256CS..Hα-helixtrans-59.9-43.1-177.8-59.6-54.9000111.5H236 G239 V245 M246 S279 P280 F282 F283H236-Y242 WeakPolarHBondContact O-CE2 3.49Å; G239-Y242 PolarHBondContact O-N 3.41Å; Y242-V245 PolarHBondContact O-N 3.45Å; Y242-M246 WeakPolarHBondContact O-CB 3.36Å; Y242-M246 VanDerWaalsContact O-CG 3.23Å; Y242-M246 WeakPolarHBondContact O-CG 3.41Å; Y242-M246 PolarHBondContact O-N 3.44Å; Y242-S279 WeakPolarHBondContact CE1-OG 3.22Å; Y242-P280 HydrophobicContact CD2-CG 3.79Å; Y242-P280 VanDerWaalsContact CE2-CD 3.49Å; Y242-P280 HydrophobicContact CE2-CG 3.82Å; Y242-P280 HydrophobicContact CG-CG 4.27Å; Y242-P280 VanDerWaalsContact CZ-CD 3.48Å; Y242-F282 HydrophobicContact CD2-CZ 4.43Å; Y242-F283 HydrophobicContact CD1-CB 4.15Å; Y242-F283 AromaticContact CD1-CD1 3.37Å; Y242-F283 HydrophobicContact CD1-CD1 3.37Å; Y242-F283 AromaticContact CD1-CD2 3.75Å; Y242-F283 HydrophobicContact CD1-CD2 3.75Å; Y242-F283 AromaticContact CD1-CE1 3.5Å; Y242-F283 HydrophobicContact CD1-CE1 3.5Å; Y242-F283 VanDerWaalsContact CD1-CE1 3.5Å; Y242-F283 AromaticContact CD1-CE2 3.91Å; Y242-F283 HydrophobicContact CD1-CE2 3.91Å; Y242-F283 AromaticContact CD1-CG 3.49Å; Y242-F283 HydrophobicContact CD1-CG 3.49Å; Y242-F283 VanDerWaalsContact CD1-CG 3.49Å; Y242-F283 AromaticContact CD1-CZ 3.79Å; Y242-F283 HydrophobicContact CD1-CZ 3.79Å; Y242-F283 AromaticContact CE1-CD1 3.64Å; Y242-F283 HydrophobicContact CE1-CD1 3.64Å; Y242-F283 AromaticContact CE1-CE1 3.73Å; Y242-F283 HydrophobicContact CE1-CE1 3.73Å; Y242-F283 HydrophobicContact CE1-CG 4.19Å; Y242-F283 HydrophobicContact CE1-CZ 4.4Å; Y242-F283 HydrophobicContact CG-CB 4.39Å; Y242-F283 HydrophobicContact CG-CD1 4.36Å; Y242-F283 HydrophobicContact CG-CD2 4.22Å; Y242-F283 HydrophobicContact CG-CG 4.09Å
243R92.5Very high90.9Very high141 Ų14148.9 Ų48.953%0.53226%0.256SS..Hα-helixtrans-60-51.5176.8-71.5-172.8-69.9168.3-4.5111.9G239 D240 M241 V245 M246 E247G239-R243 WeakPolarHBondContact O-CG 2.94Å; G239-R243 PolarHBondContact O-N 3.02Å; D240-R243 PolarHBondContact O-N 2.95Å; D240-R243 IonicContact OD1-CZ 3.92Å; D240-R243 IonicContact OD1-NH2 2.63Å; D240-R243 PolarHBondContact OD1-NH2 2.81Å; M241-R243 VanDerWaalsContact C-N 3.32Å; M241-R243 PolarHBondContact O-N 3.03Å; R243-V245 VanDerWaalsContact C-N 3.29Å; R243-V245 PolarHBondContact O-N 2.97Å; R243-M246 PolarHBondContact O-N 2.83Å; R243-M246 VanDerWaalsContact O-N 3.12Å; R243-E247 WeakPolarHBondContact O-CG 3.37Å; R243-E247 PolarHBondContact O-N 3.2Å
244A93.6Very high90.9Very high20 Ų2047.8 Ų47.817%0.16525%0.254CS..Hα-helixtrans-60.2-38.6179.100000112.6L98 D240 M241 N248L98-A244 HydrophobicContact CD1-CB 4.42Å; L98-A244 HydrophobicContact CD2-CB 3.57Å; D240-A244 WeakPolarHBondContact O-CB 3.48Å; D240-A244 PolarHBondContact O-N 2.95Å; D240-A244 VanDerWaalsContact O-N 3.08Å; M241-A244 PolarHBondContact O-N 3.31Å; A244-N248 PolarHBondContact O-N 2.87Å
245V92.4Very high90.6Very high1 Ų155.5 Ų55.51%0.00628%0.28CS..Hα-helixtrans-69-37.5176.2174.40000111.9Y91 L95 M241 Y242 R243 N248 T249 Y252 I253 F283Y91-V245 HydrophobicContact CE1-CG1 4.28Å; L95-V245 HydrophobicContact CD1-CG2 3.71Å; M241-V245 HydrophobicContact CG-CG2 4.43Å; M241-V245 VanDerWaalsContact O-CG2 3.31Å; M241-V245 WeakPolarHBondContact O-CG2 3.11Å; M241-V245 PolarHBondContact O-N 2.88Å; Y242-V245 PolarHBondContact O-N 3.45Å; R243-V245 VanDerWaalsContact C-N 3.29Å; R243-V245 PolarHBondContact O-N 2.97Å; V245-N248 CarbonylContact O-C 3.49Å; V245-N248 VanDerWaalsContact O-C 3.31Å; V245-T249 WeakPolarHBondContact O-CA 3.39Å; V245-T249 PolarHBondContact O-N 2.9Å; V245-T249 PolarHBondContact O-OG1 2.86Å; V245-Y252 HydrophobicContact CG2-CD2 4.23Å; V245-Y252 HydrophobicContact CG2-CG 4.06Å; V245-I253 HydrophobicContact CG1-CD1 3.88Å; V245-I253 HydrophobicContact CG1-CG1 3.93Å; V245-F283 HydrophobicContact CB-CE2 3.86Å; V245-F283 HydrophobicContact CB-CZ 4.27Å; V245-F283 HydrophobicContact CG1-CE2 3.63Å; V245-F283 HydrophobicContact CG1-CZ 3.84Å
246M90.1Very high90.4Very high52 Ų5256.7 Ų56.726%0.25629%0.289SS..Hα-helixtrans-68.6-38.1177.4-72.9168.266.400112.6Y242 R243 T249 F282 F283 V286 R290Y242-M246 WeakPolarHBondContact O-CB 3.36Å; Y242-M246 VanDerWaalsContact O-CG 3.23Å; Y242-M246 WeakPolarHBondContact O-CG 3.41Å; Y242-M246 PolarHBondContact O-N 3.44Å; R243-M246 PolarHBondContact O-N 2.83Å; R243-M246 VanDerWaalsContact O-N 3.12Å; M246-T249 PolarHBondContact O-OG1 3.28Å; M246-F282 HydrophobicContact CE-CD2 3.93Å; M246-F282 HydrophobicContact CE-CE2 4.48Å; M246-F282 HydrophobicContact SD-CD2 3.57Å; M246-F282 VanDerWaalsContact SD-CD2 3.57Å; M246-F282 HydrophobicContact SD-CE2 3.61Å; M246-F283 HydrophobicContact CG-CD2 3.82Å; M246-F283 HydrophobicContact CG-CE2 4.26Å; M246-F283 HydrophobicContact SD-CD2 4.08Å; M246-V286 HydrophobicContact CE-CG2 3.67Å; M246-V286 HydrophobicContact CG-CG2 4.14Å; M246-V286 HydrophobicContact SD-CG2 4.41Å; M246-R290 PolarHBondContact O-NH1 2.87Å
247E92.6Very high90.3Very high166 Ų16661.3 Ų61.378%0.77632%0.315SS*.Hα-helixtrans-64.2-38.4176.3-73.7172.4-175.200112.1R243R243-E247 WeakPolarHBondContact O-CG 3.37Å; R243-E247 PolarHBondContact O-N 3.2Å
248N92Very high90.4Very high84 Ų8457 Ų5745%0.44930%0.295SS..THydrogen-bonded Turntrans-131.160.7178.7-174.410.6000113.1A244 V245 A250 G251 Y252A244-N248 PolarHBondContact O-N 2.87Å; V245-N248 CarbonylContact O-C 3.49Å; V245-N248 VanDerWaalsContact O-C 3.31Å; N248-A250 VanDerWaalsContact C-N 3.29Å; N248-A250 PolarHBondContact O-N 2.87Å; N248-G251 PolarHBondContact O-N 2.87Å; N248-G251 PolarHBondContact OD1-N 3.48Å; N248-G251 VanDerWaalsContact OD1-N 3.16Å; N248-Y252 HydrophobicContact CB-CD2 4.22Å; N248-Y252 HydrophobicContact CB-CE2 4.07Å; N248-Y252 VanDerWaalsContact O-CD2 3.25Å; N248-Y252 WeakPolarHBondContact O-CD2 3.42Å; N248-Y252 PolarHBondContact O-N 3.46Å
249T89.7Confident90.5Very high9 Ų955 Ų556%0.05528%0.28CS..Hα-helixtrans-58.6-37.6-174.4-58.60000113.5V245 M246 G251 Y252 I253 R290 F291V245-T249 WeakPolarHBondContact O-CA 3.39Å; V245-T249 PolarHBondContact O-N 2.9Å; V245-T249 PolarHBondContact O-OG1 2.86Å; M246-T249 PolarHBondContact O-OG1 3.28Å; T249-G251 VanDerWaalsContact C-N 3.28Å; T249-G251 PolarHBondContact O-N 2.8Å; T249-Y252 PolarHBondContact O-N 3.26Å; T249-I253 HydrophobicContact CG2-CB 4.19Å; T249-I253 HydrophobicContact CG2-CD1 3.97Å; T249-I253 HydrophobicContact CG2-CG1 4.2Å; T249-I253 PolarHBondContact O-N 2.84Å; T249-R290 PolarHBondContact OG1-NH1 3.03Å; T249-F291 HydrophobicContact CG2-CE2 3.64Å; T249-F291 HydrophobicContact CG2-CZ 3.71Å
250A89.3Confident90.4Very high76 Ų7657.8 Ų57.863%0.62829%0.287SS*.Hα-helixtrans-66.7-30.6178.400000113R92 N248R92-A250 PolarHBondContact NE-O 3.34Å; R92-A250 VanDerWaalsContact NE-O 3.16Å; N248-A250 VanDerWaalsContact C-N 3.29Å; N248-A250 PolarHBondContact O-N 2.87Å
251G92.8Very high90.3Very high24 Ų2460.2 Ų60.225%0.24730%0.297CS..Hα-helixtrans-74.3-22.5177.300000114.1R92 S94 N248 T249R92-G251 VanDerWaalsContact CD-O 3.25Å; R92-G251 WeakPolarHBondContact CD-O 3.27Å; S94-G251 PolarHBondContact OG-O 2.82Å; N248-G251 PolarHBondContact O-N 2.87Å; N248-G251 PolarHBondContact OD1-N 3.48Å; N248-G251 VanDerWaalsContact OD1-N 3.16Å; T249-G251 VanDerWaalsContact C-N 3.28Å; T249-G251 PolarHBondContact O-N 2.8Å
252Y93.4Very high90.3Very high41 Ų4160.5 Ų60.516%0.16130%0.298CS..Hα-helixtrans-116.9-30.2-175.4-66.1-69.3000114.8Y91 R92 L95 L98 V245 N248 T249Y91-Y252 CarbonylContact C-O 3.4Å; Y91-Y252 VanDerWaalsContact CA-O 3.27Å; Y91-Y252 WeakPolarHBondContact CA-O 3.48Å; R92-Y252 PolarHBondContact N-O 2.83Å; L95-Y252 HydrophobicContact CB-CD1 4.16Å; L95-Y252 HydrophobicContact CD1-CD1 4.39Å; L98-Y252 HydrophobicContact CB-CE1 4.05Å; L98-Y252 HydrophobicContact CD2-CE1 3.96Å; L98-Y252 HydrophobicContact CD2-CE2 4.48Å; V245-Y252 HydrophobicContact CG2-CD2 4.23Å; V245-Y252 HydrophobicContact CG2-CG 4.06Å; N248-Y252 HydrophobicContact CB-CD2 4.22Å; N248-Y252 HydrophobicContact CB-CE2 4.07Å; N248-Y252 VanDerWaalsContact O-CD2 3.25Å; N248-Y252 WeakPolarHBondContact O-CD2 3.42Å; N248-Y252 PolarHBondContact O-N 3.46Å; T249-Y252 PolarHBondContact O-N 3.26Å
253I91.9Very high90.2Very high5 Ų559.5 Ų59.53%0.02629%0.294CS..BIsolated β-bridgetrans-107.8132.7-179.4-55.5-171.5000109.8A89 Y91 V245 T249 F291A89-I253 HydrophobicContact CB-CD1 4.45Å; Y91-I253 HydrophobicContact CD1-CG1 3.81Å; Y91-I253 HydrophobicContact CE1-CD1 3.93Å; Y91-I253 HydrophobicContact CE1-CG1 3.7Å; V245-I253 HydrophobicContact CG1-CD1 3.88Å; V245-I253 HydrophobicContact CG1-CG1 3.93Å; T249-I253 HydrophobicContact CG2-CB 4.19Å; T249-I253 HydrophobicContact CG2-CD1 3.97Å; T249-I253 HydrophobicContact CG2-CG1 4.2Å; T249-I253 PolarHBondContact O-N 2.84Å; I253-F291 HydrophobicContact CB-CZ 4.23Å; I253-F291 HydrophobicContact CG2-CE2 4.14Å; I253-F291 HydrophobicContact CG2-CZ 3.95Å
254K91.1Very high90Very high85 Ų8555.5 Ų55.537%0.3728%0.282SS..  trans-78.8136.3173-64.2179.5-171.1157.30109.6I90 Y91 R92 S256I90-K254 HydrophobicContact CG2-CD 4.03Å; I90-K254 WeakPolarHBondContact O-CB 3.38Å; I90-K254 PolarHBondContact O-N 2.92Å; Y91-K254 WeakPolarHBondContact O-CE 3.47Å; R92-K254 HydrophobicContact CG-CG 3.58Å; K254-S256 PolarHBondContact O-N 2.69Å
255R86.5Confident89.8Confident200 Ų20058.1 Ų58.176%0.75529%0.287SS*.  trans-73.6123.5170.4-172.2175.9-176.7173.91.8109.9F291R255-F291 HydrophobicContact CB-CE1 4.43Å; R255-F291 HydrophobicContact CG-CD1 4.47Å
256S86.1Confident89.8Confident26 Ų2658 Ų5818%0.18229%0.287CS..  trans-9798.8178.8-61.60000110.7K254 G258 L259K254-S256 PolarHBondContact O-N 2.69Å; S256-G258 PolarHBondContact O-N 3.3Å; S256-L259 WeakPolarHBondContact O-CB 3.31Å; S256-L259 PolarHBondContact O-N 3.45Å
257N85.7Confident89.7Confident135 Ų13557.2 Ų57.272%0.72229%0.285SS*.THydrogen-bonded Turntrans-65.6129.5177.9-66.8-23.8000110.5A488N257-A488 WeakPolarHBondContact O-CB 3.36Å
258G87.6Confident89.6Confident10 Ų1053.3 Ų53.310%0.10328%0.281CS..THydrogen-bonded Turntrans93.6-13.5-179.100000114.6S256 Q261 F262S256-G258 PolarHBondContact O-N 3.3Å; G258-Q261 PolarHBondContact O-N 2.71Å; G258-F262 WeakPolarHBondContact O-CB 3.26Å; G258-F262 PolarHBondContact O-N 3.23Å
259L90.4Very high89.6Confident6 Ų653.3 Ų53.33%0.03128%0.281CS..Hα-helixtrans-62.4-47.6-178-176.262.6000112.1L88 S256 F262 F263 F287 L292 V487 A488L88-L259 HydrophobicContact CD2-CD1 4.22Å; S256-L259 WeakPolarHBondContact O-CB 3.31Å; S256-L259 PolarHBondContact O-N 3.45Å; L259-F262 WeakPolarHBondContact O-CB 3.13Å; L259-F262 PolarHBondContact O-N 2.98Å; L259-F263 HydrophobicContact CD1-CD2 4.24Å; L259-F263 HydrophobicContact CD1-CE2 3.64Å; L259-F263 HydrophobicContact CD1-CZ 4.37Å; L259-F263 HydrophobicContact CD2-CE2 4.37Å; L259-F263 HydrophobicContact CG-CD2 4.15Å; L259-F263 HydrophobicContact CG-CE2 3.77Å; L259-F263 VanDerWaalsContact O-CD2 3.26Å; L259-F263 WeakPolarHBondContact O-CD2 3.34Å; L259-F263 PolarHBondContact O-N 3.08Å; L259-F263 VanDerWaalsContact O-N 3.16Å; L259-F287 HydrophobicContact CD2-CE1 4.36Å; L259-F287 HydrophobicContact CD2-CZ 3.74Å; L259-L292 HydrophobicContact CD2-CD2 4.39Å; L259-L292 HydrophobicContact CG-CD2 4.3Å; L259-V487 HydrophobicContact CD1-CB 3.95Å; L259-V487 HydrophobicContact CD1-CG1 3.67Å; L259-A488 HydrophobicContact CB-CB 4.12Å
260R86.8Confident89.7Confident71 Ų7155.9 Ų55.927%0.26831%0.31SS..Hα-helixtrans-60.4-48.4177.1177.1177.8156.2-156.2-19.9111.4F262 F263 E264 L292 Q293 S294 I300R260-F262 PolarHBondContact O-N 3.16Å; R260-F263 PolarHBondContact O-N 2.66Å; R260-F263 VanDerWaalsContact O-N 3.14Å; R260-E264 HydrophobicContact CG-CG 4.4Å; R260-E264 IonicContact CZ-OE1 3.59Å; R260-E264 VanDerWaalsContact CZ-OE1 3.23Å; R260-E264 IonicContact NE-OE1 2.96Å; R260-E264 PolarHBondContact NE-OE1 2.82Å; R260-E264 IonicContact NH2-OE1 2.87Å; R260-E264 PolarHBondContact NH2-OE1 3.38Å; R260-E264 WeakPolarHBondContact O-CG 3.4Å; R260-E264 PolarHBondContact O-N 2.81Å; R260-L292 HydrophobicContact CB-CD2 4.2Å; R260-Q293 PolarHBondContact NH1-O 2.89Å; R260-S294 VanDerWaalsContact NH2-CB 3.35Å; R260-I300 HydrophobicContact CG-CD1 4.4Å
261Q89.1Confident89.8Confident88 Ų8853.6 Ų53.641%0.41129%0.285SS..Hα-helixtrans-64.2-28.1-180-63.488.3-18.200112.5G258 R265 F491G258-Q261 PolarHBondContact O-N 2.71Å; Q261-R265 WeakPolarHBondContact O-CB 3.33Å; Q261-R265 PolarHBondContact O-N 2.92Å; Q261-F491 HydrophobicContact CB-CD2 3.76Å; Q261-F491 HydrophobicContact CB-CE2 3.3Å; Q261-F491 HydrophobicContact CB-CZ 3.8Å; Q261-F491 HydrophobicContact CG-CE2 4.31Å; Q261-F491 HydrophobicContact CG-CZ 4.36Å
262F91.7Very high89.6Confident6 Ų654.3 Ų54.33%0.02628%0.283CS..Hα-helixtrans-66.6-48.7171.8174.6-113.2000111.4Y80 F82 G258 L259 R260 R265 L266 V487 L490 F491Y80-F262 HydrophobicContact CD1-CZ 4.45Å; Y80-F262 HydrophobicContact CE1-CZ 4.37Å; F82-F262 HydrophobicContact CZ-CE1 4.03Å; G258-F262 WeakPolarHBondContact O-CB 3.26Å; G258-F262 PolarHBondContact O-N 3.23Å; L259-F262 WeakPolarHBondContact O-CB 3.13Å; L259-F262 PolarHBondContact O-N 2.98Å; R260-F262 PolarHBondContact O-N 3.16Å; F262-R265 WeakPolarHBondContact O-CB 3.15Å; F262-R265 PolarHBondContact O-N 3.15Å; F262-R265 VanDerWaalsContact O-N 3.15Å; F262-L266 HydrophobicContact CD1-CD1 4.31Å; F262-L266 HydrophobicContact CE1-CD1 3.73Å; F262-L266 HydrophobicContact CE1-CG 4.28Å; F262-L266 HydrophobicContact CE2-CD1 4.47Å; F262-L266 HydrophobicContact CE2-CD2 4.01Å; F262-L266 HydrophobicContact CE2-CG 4.21Å; F262-L266 HydrophobicContact CZ-CD1 3.81Å; F262-L266 HydrophobicContact CZ-CD2 3.95Å; F262-L266 HydrophobicContact CZ-CG 4.04Å; F262-L266 WeakPolarHBondContact O-CG 3.41Å; F262-L266 PolarHBondContact O-N 3Å; F262-V487 HydrophobicContact CD1-CG1 3.97Å; F262-V487 HydrophobicContact CE1-CG1 3.86Å; F262-L490 HydrophobicContact CD2-CB 3.86Å; F262-L490 HydrophobicContact CE1-CB 4.26Å; F262-L490 HydrophobicContact CE1-CD1 3.96Å; F262-L490 HydrophobicContact CE2-CB 3.49Å; F262-L490 VanDerWaalsContact CE2-CB 3.49Å; F262-L490 HydrophobicContact CE2-CD1 4.31Å; F262-L490 HydrophobicContact CE2-CG 4.48Å; F262-L490 HydrophobicContact CG-CB 4.4Å; F262-L490 HydrophobicContact CZ-CB 3.71Å; F262-L490 HydrophobicContact CZ-CD1 3.65Å; F262-L490 HydrophobicContact CZ-CG 4.29Å; F262-F491 HydrophobicContact CB-CB 4.19Å; F262-F491 HydrophobicContact CB-CD2 4.44Å
263F89.3Confident89.4Confident3 Ų352.6 Ų52.61%0.01328%0.277CS..Hα-helixtrans-61.5-44.3175.5-74.7-63.7000112.8F82 L88 L259 R260 R265 L266 V267 V273 L292 I300 M303F82-F263 AromaticContact CD2-CE1 3.95Å; F82-F263 HydrophobicContact CD2-CE1 3.95Å; F82-F263 HydrophobicContact CD2-CZ 4.26Å; F82-F263 AromaticContact CE2-CE1 3.57Å; F82-F263 HydrophobicContact CE2-CE1 3.57Å; F82-F263 HydrophobicContact CE2-CZ 4.17Å; F82-F263 HydrophobicContact CZ-CE1 4.06Å; F82-F263 HydrophobicContact CZ-CZ 4.45Å; L88-F263 HydrophobicContact CD1-CZ 4.18Å; L88-F263 HydrophobicContact CD2-CE2 4.16Å; L88-F263 HydrophobicContact CD2-CZ 3.75Å; L259-F263 HydrophobicContact CD1-CD2 4.24Å; L259-F263 HydrophobicContact CD1-CE2 3.64Å; L259-F263 HydrophobicContact CD1-CZ 4.37Å; L259-F263 HydrophobicContact CD2-CE2 4.37Å; L259-F263 HydrophobicContact CG-CD2 4.15Å; L259-F263 HydrophobicContact CG-CE2 3.77Å; L259-F263 VanDerWaalsContact O-CD2 3.26Å; L259-F263 WeakPolarHBondContact O-CD2 3.34Å; L259-F263 PolarHBondContact O-N 3.08Å; L259-F263 VanDerWaalsContact O-N 3.16Å; R260-F263 PolarHBondContact O-N 2.66Å; R260-F263 VanDerWaalsContact O-N 3.14Å; F263-R265 PolarHBondContact O-N 2.95Å; F263-L266 HydrophobicContact CD1-CD1 4.22Å; F263-L266 WeakPolarHBondContact O-CB 3.38Å; F263-L266 PolarHBondContact O-N 3.01Å; F263-L266 VanDerWaalsContact O-N 3.08Å; F263-V267 PolarHBondContact O-N 3.19Å; F263-V273 HydrophobicContact CD1-CG1 4.09Å; F263-V273 HydrophobicContact CD1-CG2 4.41Å; F263-V273 HydrophobicContact CE1-CG1 3.78Å; F263-L292 HydrophobicContact CD2-CD1 4.37Å; F263-L292 HydrophobicContact CD2-CD2 3.89Å; F263-L292 HydrophobicContact CE2-CD1 4.25Å; F263-L292 HydrophobicContact CE2-CD2 4.19Å; F263-I300 HydrophobicContact CB-CD1 3.89Å; F263-I300 HydrophobicContact CB-CG1 4.33Å; F263-I300 HydrophobicContact CD2-CD1 4.37Å; F263-I300 HydrophobicContact CG-CD1 4.4Å; F263-M303 HydrophobicContact CD1-CE 4.18Å; F263-M303 HydrophobicContact CE1-CE 3.61Å; F263-M303 HydrophobicContact CZ-CE 3.84Å
264E87.5Confident89.2Confident58 Ų5852.3 Ų52.327%0.27128%0.276SS..Hα-helixtrans-56.8-38.9174.3-71.2171.4165.900111.2R260 A268 A299R260-E264 HydrophobicContact CG-CG 4.4Å; R260-E264 IonicContact CZ-OE1 3.59Å; R260-E264 VanDerWaalsContact CZ-OE1 3.23Å; R260-E264 IonicContact NE-OE1 2.96Å; R260-E264 PolarHBondContact NE-OE1 2.82Å; R260-E264 IonicContact NH2-OE1 2.87Å; R260-E264 PolarHBondContact NH2-OE1 3.38Å; R260-E264 WeakPolarHBondContact O-CG 3.4Å; R260-E264 PolarHBondContact O-N 2.81Å; E264-A268 VanDerWaalsContact O-CB 3.22Å; E264-A268 WeakPolarHBondContact O-CB 3.3Å; E264-A268 PolarHBondContact O-N 3.47Å; E264-A299 HydrophobicContact CG-CB 4.23Å
265R91Very high89Confident74 Ų7448.5 Ų48.528%0.27926%0.259SS..Hα-helixtrans-67.3-41175.1-176.5-175.6-64.1162.94.8112.4Q261 F262 F263 N269 F491 Y493Q261-R265 WeakPolarHBondContact O-CB 3.33Å; Q261-R265 PolarHBondContact O-N 2.92Å; F262-R265 WeakPolarHBondContact O-CB 3.15Å; F262-R265 PolarHBondContact O-N 3.15Å; F262-R265 VanDerWaalsContact O-N 3.15Å; F263-R265 PolarHBondContact O-N 2.95Å; R265-N269 PolarHBondContact O-N 3.01Å; R265-N269 PolarHBondContact O-ND2 2.58Å; R265-F491 PolarHBondContact NH1-O 3.28Å; R265-F491 PolarHBondContact NH2-O 2.85Å; R265-Y493 PolarHBondContact NH1-O 3.09Å
266L92.1Very high88.9Confident0 Ų040.8 Ų40.80%023%0.233CC..Hα-helixtrans-59.2-53.2177-68.9-177.2000110.4Y80 F262 F263 A268 N269 G270 K271 V273 I495Y80-L266 HydrophobicContact CD1-CD1 4.23Å; Y80-L266 HydrophobicContact CD1-CD2 4.33Å; Y80-L266 HydrophobicContact CD2-CD1 4.21Å; Y80-L266 HydrophobicContact CD2-CD2 3.87Å; Y80-L266 HydrophobicContact CE1-CD2 4.15Å; Y80-L266 HydrophobicContact CE2-CD2 3.7Å; Y80-L266 HydrophobicContact CG-CD1 3.91Å; Y80-L266 HydrophobicContact CG-CD2 4.2Å; F262-L266 HydrophobicContact CD1-CD1 4.31Å; F262-L266 HydrophobicContact CE1-CD1 3.73Å; F262-L266 HydrophobicContact CE1-CG 4.28Å; F262-L266 HydrophobicContact CE2-CD1 4.47Å; F262-L266 HydrophobicContact CE2-CD2 4.01Å; F262-L266 HydrophobicContact CE2-CG 4.21Å; F262-L266 HydrophobicContact CZ-CD1 3.81Å; F262-L266 HydrophobicContact CZ-CD2 3.95Å; F262-L266 HydrophobicContact CZ-CG 4.04Å; F262-L266 WeakPolarHBondContact O-CG 3.41Å; F262-L266 PolarHBondContact O-N 3Å; F263-L266 HydrophobicContact CD1-CD1 4.22Å; F263-L266 WeakPolarHBondContact O-CB 3.38Å; F263-L266 PolarHBondContact O-N 3.01Å; F263-L266 VanDerWaalsContact O-N 3.08Å; L266-A268 PolarHBondContact O-N 3.32Å; L266-N269 CarbonylContact O-C 3.44Å; L266-N269 PolarHBondContact O-N 3.02Å; L266-N269 VanDerWaalsContact O-N 3.09Å; L266-G270 PolarHBondContact O-N 3.43Å; L266-K271 HydrophobicContact CB-CB 4.11Å; L266-K271 HydrophobicContact CD2-CB 4.31Å; L266-K271 HydrophobicContact CD2-CG 4.31Å; L266-K271 WeakPolarHBondContact O-CB 3.41Å; L266-K271 PolarHBondContact O-N 2.8Å; L266-V273 HydrophobicContact CB-CG2 4.16Å; L266-V273 HydrophobicContact CD1-CG2 3.81Å; L266-I495 HydrophobicContact CD2-CD1 3.62Å
267V87Confident88.8Confident34 Ų3439.6 Ų39.621%0.20623%0.225CC..Hα-helixtrans-57.7-49.4178.6165.50000111.3F263 N269 G270 E302F263-V267 PolarHBondContact O-N 3.19Å; V267-N269 PolarHBondContact O-N 3.12Å; V267-G270 PolarHBondContact O-N 2.89Å; V267-E302 WeakPolarHBondContact CG1-OE2 3.29Å; V267-E302 HydrophobicContact CG2-CB 4.46Å
268A90.3Very high88.6Confident84 Ų8437.7 Ų37.769%0.69421%0.214SC*.Hα-helixtrans-61.6-18179.400000114.1E264 L266E264-A268 VanDerWaalsContact O-CB 3.22Å; E264-A268 WeakPolarHBondContact O-CB 3.3Å; E264-A268 PolarHBondContact O-N 3.47Å; L266-A268 PolarHBondContact O-N 3.32Å
269N92.8Very high88.4Confident84 Ų8437.2 Ų37.245%0.44921%0.209SC..THydrogen-bonded Turntrans-105.418.3176.2-72.3-93.1000112.6R265 L266 V267 K271 I495R265-N269 PolarHBondContact O-N 3.01Å; R265-N269 PolarHBondContact O-ND2 2.58Å; L266-N269 CarbonylContact O-C 3.44Å; L266-N269 PolarHBondContact O-N 3.02Å; L266-N269 VanDerWaalsContact O-N 3.09Å; V267-N269 PolarHBondContact O-N 3.12Å; N269-K271 HydrophobicContact CB-CG 4.5Å; N269-K271 PolarHBondContact O-N 3.15Å; N269-I495 HydrophobicContact CB-CD1 4.5Å; N269-I495 HydrophobicContact CB-CG1 3.97Å
270G90.7Very high87.9Confident64 Ų6438.6 Ų38.666%0.6622%0.219SC*.THydrogen-bonded Turntrans6818.6175.800000114.4L266 V267L266-G270 PolarHBondContact O-N 3.43Å; V267-G270 PolarHBondContact O-N 2.89Å
271K91.4Very high87.7Confident27 Ų2736.1 Ų36.112%0.11721%0.21CC..  trans-80.9135.8176.5-56-56.8-173.3175.10109.6I77 D78 Y80 L266 N269 I495I77-K271 VanDerWaalsContact O-CD 3.25Å; I77-K271 WeakPolarHBondContact O-CD 3.35Å; I77-K271 WeakPolarHBondContact O-CE 3.31Å; I77-K271 PolarHBondContact O-NZ 2.84Å; D78-K271 WeakPolarHBondContact O-CA 3.21Å; Y80-K271 HydrophobicContact CD2-CB 4.1Å; Y80-K271 HydrophobicContact CE2-CB 4.17Å; Y80-K271 HydrophobicContact CE2-CD 4.32Å; Y80-K271 HydrophobicContact CE2-CG 4.07Å; L266-K271 HydrophobicContact CB-CB 4.11Å; L266-K271 HydrophobicContact CD2-CB 4.31Å; L266-K271 HydrophobicContact CD2-CG 4.31Å; L266-K271 WeakPolarHBondContact O-CB 3.41Å; L266-K271 PolarHBondContact O-N 2.8Å; N269-K271 HydrophobicContact CB-CG 4.5Å; N269-K271 PolarHBondContact O-N 3.15Å; K271-I495 HydrophobicContact CG-CD1 4.18Å
272L89Confident87.3Confident39 Ų3936.2 Ų36.220%0.20421%0.209CC..EExtended strand (participates in β ladder)trans-82.7145.6174.9-61.3-174000110.2D78 V79 Y80 I360 K363D78-L272 PolarHBondContact O-N 3.16Å; V79-L272 CarbonylContact C-O 3.48Å; V79-L272 WeakPolarHBondContact CA-O 3.37Å; V79-L272 HydrophobicContact CB-CB 4.43Å; V79-L272 HydrophobicContact CG1-CB 4.09Å; V79-L272 HydrophobicContact CG2-CB 4.17Å; V79-L272 HydrophobicContact CG2-CD1 4.43Å; Y80-L272 PolarHBondContact N-O 3.29Å; L272-I360 HydrophobicContact CD1-CG2 4.42Å; L272-K363 VanDerWaalsContact CD1-NZ 3.35Å
273V88.7Confident86.8Confident5 Ų536 Ų363%0.0321%0.208CC..EExtended strand (participates in β ladder)trans-128.7136179.3-1780000109.7Y80 F82 F263 L266 M303 L304Y80-V273 CarbonylContact O-C 3.58Å; Y80-V273 VanDerWaalsContact O-CA 3.22Å; Y80-V273 WeakPolarHBondContact O-CA 3.34Å; F82-V273 HydrophobicContact CD2-CG1 3.98Å; F82-V273 HydrophobicContact CE2-CG1 3.88Å; F263-V273 HydrophobicContact CD1-CG1 4.09Å; F263-V273 HydrophobicContact CD1-CG2 4.41Å; F263-V273 HydrophobicContact CE1-CG1 3.78Å; L266-V273 HydrophobicContact CB-CG2 4.16Å; L266-V273 HydrophobicContact CD1-CG2 3.81Å; V273-M303 HydrophobicContact CB-CG 4.25Å; V273-M303 HydrophobicContact CG1-CE 3.46Å; V273-M303 VanDerWaalsContact CG1-CE 3.46Å; V273-M303 HydrophobicContact CG1-CG 3.93Å; V273-M303 CarbonylContact O-C 3.54Å; V273-M303 WeakPolarHBondContact O-CA 3.5Å; V273-L304 PolarHBondContact O-N 2.61Å
274F88.1Confident86.5Confident0 Ų036 Ų360%021%0.208CC..EExtended strand (participates in β ladder)trans-134.6160.4171.168.5-97.3000112.4V79 Y80 G81 F82 I276 L304 F354 I360 I365 Y367 W385V79-F274 HydrophobicContact CG1-CD1 3.53Å; V79-F274 HydrophobicContact CG1-CE1 3.56Å; Y80-F274 PolarHBondContact O-N 3.45Å; G81-F274 VanDerWaalsContact CA-CZ 3.42Å; G81-F274 WeakPolarHBondContact CA-O 3.4Å; F82-F274 PolarHBondContact N-O 3.45Å; F274-I276 HydrophobicContact CD2-CD1 4.05Å; F274-I276 HydrophobicContact CD2-CG1 3.88Å; F274-I276 HydrophobicContact CE2-CD1 3.6Å; F274-I276 HydrophobicContact CE2-CG1 3.91Å; F274-L304 WeakPolarHBondContact CA-O 3.1Å; F274-L304 HydrophobicContact CB-CB 4.19Å; F274-L304 WeakPolarHBondContact CB-O 3.4Å; F274-F354 HydrophobicContact CB-CZ 4.36Å; F274-F354 HydrophobicContact CD1-CE1 4.41Å; F274-F354 HydrophobicContact CD1-CZ 4.08Å; F274-F354 HydrophobicContact CD2-CE1 4.35Å; F274-F354 AromaticContact CD2-CZ 3.87Å; F274-F354 HydrophobicContact CD2-CZ 3.87Å; F274-F354 HydrophobicContact CE1-CE1 4.18Å; F274-F354 HydrophobicContact CE1-CZ 4.3Å; F274-F354 HydrophobicContact CE2-CE1 4.12Å; F274-F354 HydrophobicContact CE2-CZ 4.11Å; F274-F354 HydrophobicContact CG-CE1 4.49Å; F274-F354 AromaticContact CG-CZ 3.86Å; F274-F354 HydrophobicContact CG-CZ 3.86Å; F274-F354 HydrophobicContact CZ-CE1 4.02Å; F274-F354 HydrophobicContact CZ-CZ 4.31Å; F274-I360 HydrophobicContact CE1-CD1 4.36Å; F274-I365 HydrophobicContact CE1-CG2 4.19Å; F274-I365 HydrophobicContact CZ-CG2 4.34Å; F274-Y367 AromaticContact CE2-CD2 3.77Å; F274-Y367 HydrophobicContact CE2-CD2 3.77Å; F274-Y367 AromaticContact CE2-CE2 3.86Å; F274-Y367 HydrophobicContact CE2-CE2 3.86Å; F274-Y367 AromaticContact CZ-CD2 3.92Å; F274-Y367 HydrophobicContact CZ-CD2 3.92Å; F274-Y367 HydrophobicContact CZ-CE2 4.46Å; F274-W385 HydrophobicContact CE1-CH2 4.42Å; F274-W385 HydrophobicContact CE2-CH2 4.22Å; F274-W385 HydrophobicContact CE2-CZ3 4.21Å; F274-W385 AromaticContact CZ-CH2 3.58Å; F274-W385 HydrophobicContact CZ-CH2 3.58Å; F274-W385 HydrophobicContact CZ-CZ2 4.49Å; F274-W385 AromaticContact CZ-CZ3 3.62Å; F274-W385 HydrophobicContact CZ-CZ3 3.62Å
275L86.7Confident86.1Confident4 Ų437.2 Ų37.22%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-124.8132.8178.9-17373.3000109.8F82 Y84 L88 M284 A305 C306 A307F82-L275 HydrophobicContact CB-CD1 4.1Å; F82-L275 CarbonylContact O-C 3.59Å; F82-L275 WeakPolarHBondContact O-CA 3.35Å; F82-L275 WeakPolarHBondContact O-CD1 3.08Å; Y84-L275 HydrophobicContact CD2-CD2 4.28Å; L88-L275 HydrophobicContact CD1-CD1 3.56Å; L275-M284 HydrophobicContact CD2-SD 3.7Å; L275-A305 VanDerWaalsContact O-O 3.08Å; L275-C306 VanDerWaalsContact O-CA 3.24Å; L275-C306 WeakPolarHBondContact O-CA 3.43Å; L275-A307 PolarHBondContact O-N 2.91Å
276I85Confident85.3Confident38 Ų3834.8 Ų34.820%0.19521%0.207CC..EExtended strand (participates in β ladder)trans-123.7133.7171.8-62178.3000106.7F82 D83 F274 A307 Y367F82-I276 PolarHBondContact O-N 2.83Å; D83-I276 VanDerWaalsContact CA-O 3.28Å; D83-I276 WeakPolarHBondContact CA-O 3.37Å; F274-I276 HydrophobicContact CD2-CD1 4.05Å; F274-I276 HydrophobicContact CD2-CG1 3.88Å; F274-I276 HydrophobicContact CE2-CD1 3.6Å; F274-I276 HydrophobicContact CE2-CG1 3.91Å; I276-A307 HydrophobicContact CG1-CB 4.43Å; I276-Y367 HydrophobicContact CB-CE2 4.42Å; I276-Y367 HydrophobicContact CD1-CE2 4.22Å
277S84Confident84.4Confident2 Ų235.1 Ų35.11%0.01421%0.209CC..EExtended strand (participates in β ladder)trans-156.2154.6-178.8-174.40000112.8Y84 S279 M284 A307 T308 Y309Y84-S277 WeakPolarHBondContact CB-OG 3.44Å; S277-S279 VanDerWaalsContact C-N 3.34Å; S277-S279 WeakPolarHBondContact OG-CB 3.48Å; S277-S279 PolarHBondContact OG-N 3.26Å; S277-M284 VanDerWaalsContact CB-SD 3.52Å; S277-A307 PolarHBondContact N-O 3.19Å; S277-T308 CarbonylContact O-C 3.55Å; S277-T308 WeakPolarHBondContact O-CA 3.25Å; S277-Y309 PolarHBondContact O-N 3.13Å
278N81.6Confident83.7Confident94 Ų9435.3 Ų35.350%0.50321%0.207SC..SBendtrans-86.4-9.2168.3-61.3-14.7000112.3Y309N278-Y309 WeakPolarHBondContact OD1-CB 3.43Å
279S83Confident82.7Confident0 Ų033 Ų330%018%0.184CC..SBendtrans-73146.5177.9-95.80000112.3D85 Y242 S277 F283 T308D85-S279 WeakPolarHBondContact OD2-CB 3.3Å; D85-S279 PolarHBondContact OD2-OG 2.81Å; Y242-S279 WeakPolarHBondContact CE1-OG 3.22Å; S277-S279 VanDerWaalsContact C-N 3.34Å; S277-S279 WeakPolarHBondContact OG-CB 3.48Å; S277-S279 PolarHBondContact OG-N 3.26Å; S279-F283 WeakPolarHBondContact OG-CD1 3.5Å; S279-T308 VanDerWaalsContact O-CG2 3.29Å; S279-T308 WeakPolarHBondContact O-CG2 3.31Å
280P80.6Confident81.6Confident36 Ų3636 Ų3623%0.23419%0.19CC..  trans-68.6148.4176.329.7-34.8000111.6Y242 F282 F283 M284Y242-P280 HydrophobicContact CD2-CG 3.79Å; Y242-P280 VanDerWaalsContact CE2-CD 3.49Å; Y242-P280 HydrophobicContact CE2-CG 3.82Å; Y242-P280 HydrophobicContact CG-CG 4.27Å; Y242-P280 VanDerWaalsContact CZ-CD 3.48Å; P280-F282 VanDerWaalsContact C-N 3.32Å; P280-F282 HydrophobicContact CB-CD1 3.69Å; P280-F282 HydrophobicContact CB-CE1 3.35Å; P280-F282 HydrophobicContact CB-CZ 4.04Å; P280-F282 HydrophobicContact CG-CD1 4.02Å; P280-F282 HydrophobicContact CG-CE1 3.35Å; P280-F282 HydrophobicContact CG-CE2 4.23Å; P280-F282 HydrophobicContact CG-CZ 3.47Å; P280-F282 VanDerWaalsContact CG-CZ 3.47Å; P280-F282 PolarHBondContact O-N 3.14Å; P280-F283 HydrophobicContact CG-CB 4.01Å; P280-F283 WeakPolarHBondContact O-CB 3.17Å; P280-F283 PolarHBondContact O-N 3Å; P280-M284 PolarHBondContact O-N 2.99Å
281F81.5Confident80.6Confident19 Ų1935.3 Ų35.38%0.08317%0.168CC..Hα-helixtrans-56-42.1-174.7179.6-92000113.9F283 M284 H285 Y325 P327 V345F281-F283 PolarHBondContact O-N 3.1Å; F281-F283 VanDerWaalsContact O-N 3.14Å; F281-M284 HydrophobicContact CB-CE 4.38Å; F281-M284 HydrophobicContact CD2-CE 4.31Å; F281-M284 PolarHBondContact O-N 3.33Å; F281-H285 HydrophobicContact CD1-CB 4.33Å; F281-H285 HydrophobicContact CE1-CB 3.82Å; F281-H285 HydrophobicContact CZ-CB 4.16Å; F281-H285 AromaticContact CZ-ND1 3.98Å; F281-H285 WeakPolarHBondContact O-CB 3.46Å; F281-H285 PolarHBondContact O-N 3.35Å; F281-Y325 HydrophobicContact CB-CD1 4.18Å; F281-Y325 HydrophobicContact CB-CE1 3.49Å; F281-Y325 VanDerWaalsContact CB-CE1 3.49Å; F281-Y325 HydrophobicContact CD1-CD1 4.47Å; F281-Y325 AromaticContact CD1-CE1 3.59Å; F281-Y325 HydrophobicContact CD1-CE1 3.59Å; F281-Y325 HydrophobicContact CD2-CE1 4.33Å; F281-Y325 HydrophobicContact CE1-CE1 4.46Å; F281-Y325 HydrophobicContact CG-CD1 4.12Å; F281-Y325 AromaticContact CG-CE1 3.51Å; F281-Y325 HydrophobicContact CG-CE1 3.51Å; F281-P327 HydrophobicContact CD1-CB 4.04Å; F281-P327 HydrophobicContact CD1-CG 4.21Å; F281-P327 HydrophobicContact CE1-CB 3.45Å; F281-P327 VanDerWaalsContact CE1-CB 3.45Å; F281-P327 HydrophobicContact CE1-CG 3.64Å; F281-P327 HydrophobicContact CE2-CG 4.31Å; F281-P327 HydrophobicContact CZ-CB 3.95Å; F281-P327 HydrophobicContact CZ-CG 3.67Å; F281-V345 HydrophobicContact CD2-CB 4.41Å; F281-V345 HydrophobicContact CD2-CG1 3.5Å; F281-V345 VanDerWaalsContact CD2-CG1 3.5Å; F281-V345 HydrophobicContact CD2-CG2 4.07Å; F281-V345 HydrophobicContact CE2-CB 4.27Å; F281-V345 HydrophobicContact CE2-CG1 3.82Å; F281-V345 HydrophobicContact CE2-CG2 3.46Å; F281-V345 VanDerWaalsContact CE2-CG2 3.46Å; F281-V345 HydrophobicContact CG-CG1 4.26Å; F281-V345 HydrophobicContact CZ-CG2 4.05Å
282F80.5Confident79.6Confident89 Ų8934.2 Ų34.239%0.3916%0.164SC..Hα-helixtrans-56.8-33.1-179.370.4-100.2000112.3Y242 M246 P280Y242-F282 HydrophobicContact CD2-CZ 4.43Å; M246-F282 HydrophobicContact CE-CD2 3.93Å; M246-F282 HydrophobicContact CE-CE2 4.48Å; M246-F282 HydrophobicContact SD-CD2 3.57Å; M246-F282 VanDerWaalsContact SD-CD2 3.57Å; M246-F282 HydrophobicContact SD-CE2 3.61Å; P280-F282 VanDerWaalsContact C-N 3.32Å; P280-F282 HydrophobicContact CB-CD1 3.69Å; P280-F282 HydrophobicContact CB-CE1 3.35Å; P280-F282 HydrophobicContact CB-CZ 4.04Å; P280-F282 HydrophobicContact CG-CD1 4.02Å; P280-F282 HydrophobicContact CG-CE1 3.35Å; P280-F282 HydrophobicContact CG-CE2 4.23Å; P280-F282 HydrophobicContact CG-CZ 3.47Å; P280-F282 VanDerWaalsContact CG-CZ 3.47Å; P280-F282 PolarHBondContact O-N 3.14Å
283F83Confident78.4Confident3 Ų338.2 Ų38.21%0.01318%0.181CC..Hα-helixtrans-76.1-45.4-179.9-179-117.5000111.2Y84 Y91 Y242 V245 M246 S279 P280 F281 H285 V286Y84-F283 AromaticContact CE1-CD1 3.68Å; Y84-F283 HydrophobicContact CE1-CD1 3.68Å; Y84-F283 AromaticContact CE1-CE1 3.6Å; Y84-F283 HydrophobicContact CE1-CE1 3.6Å; Y84-F283 PolarHBondContact OH-O 3.4Å; Y91-F283 HydrophobicContact CE1-CZ 4.3Å; Y91-F283 WeakPolarHBondContact OH-CE1 3.42Å; Y91-F283 VanDerWaalsContact OH-CZ 3.23Å; Y91-F283 WeakPolarHBondContact OH-CZ 3.16Å; Y242-F283 HydrophobicContact CD1-CB 4.15Å; Y242-F283 AromaticContact CD1-CD1 3.37Å; Y242-F283 HydrophobicContact CD1-CD1 3.37Å; Y242-F283 AromaticContact CD1-CD2 3.75Å; Y242-F283 HydrophobicContact CD1-CD2 3.75Å; Y242-F283 AromaticContact CD1-CE1 3.5Å; Y242-F283 HydrophobicContact CD1-CE1 3.5Å; Y242-F283 VanDerWaalsContact CD1-CE1 3.5Å; Y242-F283 AromaticContact CD1-CE2 3.91Å; Y242-F283 HydrophobicContact CD1-CE2 3.91Å; Y242-F283 AromaticContact CD1-CG 3.49Å; Y242-F283 HydrophobicContact CD1-CG 3.49Å; Y242-F283 VanDerWaalsContact CD1-CG 3.49Å; Y242-F283 AromaticContact CD1-CZ 3.79Å; Y242-F283 HydrophobicContact CD1-CZ 3.79Å; Y242-F283 AromaticContact CE1-CD1 3.64Å; Y242-F283 HydrophobicContact CE1-CD1 3.64Å; Y242-F283 AromaticContact CE1-CE1 3.73Å; Y242-F283 HydrophobicContact CE1-CE1 3.73Å; Y242-F283 HydrophobicContact CE1-CG 4.19Å; Y242-F283 HydrophobicContact CE1-CZ 4.4Å; Y242-F283 HydrophobicContact CG-CB 4.39Å; Y242-F283 HydrophobicContact CG-CD1 4.36Å; Y242-F283 HydrophobicContact CG-CD2 4.22Å; Y242-F283 HydrophobicContact CG-CG 4.09Å; V245-F283 HydrophobicContact CB-CE2 3.86Å; V245-F283 HydrophobicContact CB-CZ 4.27Å; V245-F283 HydrophobicContact CG1-CE2 3.63Å; V245-F283 HydrophobicContact CG1-CZ 3.84Å; M246-F283 HydrophobicContact CG-CD2 3.82Å; M246-F283 HydrophobicContact CG-CE2 4.26Å; M246-F283 HydrophobicContact SD-CD2 4.08Å; S279-F283 WeakPolarHBondContact OG-CD1 3.5Å; P280-F283 HydrophobicContact CG-CB 4.01Å; P280-F283 WeakPolarHBondContact O-CB 3.17Å; P280-F283 PolarHBondContact O-N 3Å; F281-F283 PolarHBondContact O-N 3.1Å; F281-F283 VanDerWaalsContact O-N 3.14Å; F283-H285 VanDerWaalsContact C-N 3.3Å; F283-H285 PolarHBondContact O-N 2.88Å; F283-V286 PolarHBondContact O-N 3.4Å
284M82.6Confident76.6Confident1 Ų139.3 Ų39.31%0.00519%0.189CC..Hα-helixtrans-62-37.5175.1-62.8-172.4-69.100112.5Y84 L275 S277 P280 F281 V286 F287 Q288 C306 T308Y84-M284 HydrophobicContact CD1-CG 3.83Å; Y84-M284 HydrophobicContact CD2-CB 4.42Å; Y84-M284 HydrophobicContact CD2-CG 4.05Å; Y84-M284 HydrophobicContact CE1-CG 3.95Å; Y84-M284 HydrophobicContact CE2-CB 4.2Å; Y84-M284 HydrophobicContact CE2-CG 4.15Å; Y84-M284 HydrophobicContact CG-CG 3.88Å; Y84-M284 HydrophobicContact CG-SD 4.24Å; L275-M284 HydrophobicContact CD2-SD 3.7Å; S277-M284 VanDerWaalsContact CB-SD 3.52Å; P280-M284 PolarHBondContact O-N 2.99Å; F281-M284 HydrophobicContact CB-CE 4.38Å; F281-M284 HydrophobicContact CD2-CE 4.31Å; F281-M284 PolarHBondContact O-N 3.33Å; M284-V286 VanDerWaalsContact C-N 3.28Å; M284-V286 PolarHBondContact O-N 2.82Å; M284-F287 WeakPolarHBondContact O-CB 3.49Å; M284-F287 PolarHBondContact O-N 3.28Å; M284-Q288 PolarHBondContact O-N 2.95Å; M284-Q288 VanDerWaalsContact O-N 3.12Å; M284-C306 HydrophobicContact CE-CB 4.32Å; M284-T308 HydrophobicContact CE-CG2 3.46Å; M284-T308 VanDerWaalsContact CE-CG2 3.46Å
285H78.9Confident74.7Confident84 Ų8445 Ų4539%0.38923%0.229SC..Hα-helixtrans-61.5-35.4179.5-172.364.9000112.4F281 F283 F287 Q288 T289F281-H285 HydrophobicContact CD1-CB 4.33Å; F281-H285 HydrophobicContact CE1-CB 3.82Å; F281-H285 HydrophobicContact CZ-CB 4.16Å; F281-H285 AromaticContact CZ-ND1 3.98Å; F281-H285 WeakPolarHBondContact O-CB 3.46Å; F281-H285 PolarHBondContact O-N 3.35Å; F283-H285 VanDerWaalsContact C-N 3.3Å; F283-H285 PolarHBondContact O-N 2.88Å; H285-F287 VanDerWaalsContact C-N 3.28Å; H285-F287 PolarHBondContact O-N 3.02Å; H285-Q288 PolarHBondContact O-N 2.85Å; H285-T289 WeakPolarHBondContact NE2-CG2 3.45Å; H285-T289 WeakPolarHBondContact O-CB 3.43Å; H285-T289 VanDerWaalsContact O-CG2 3.31Å; H285-T289 WeakPolarHBondContact O-CG2 3.36Å; H285-T289 PolarHBondContact O-N 2.83Å; H285-T289 PolarHBondContact O-OG1 2.89Å
286V73.6Confident72.7Confident24 Ų2452.5 Ų52.515%0.14526%0.264CS..Hα-helixtrans-61.6-38.2174.4172.90000111.3M246 F283 M284 T289 R290M246-V286 HydrophobicContact CE-CG2 3.67Å; M246-V286 HydrophobicContact CG-CG2 4.14Å; M246-V286 HydrophobicContact SD-CG2 4.41Å; F283-V286 PolarHBondContact O-N 3.4Å; M284-V286 VanDerWaalsContact C-N 3.28Å; M284-V286 PolarHBondContact O-N 2.82Å; V286-T289 WeakPolarHBondContact CA-OG1 3.2Å; V286-T289 PolarHBondContact O-OG1 2.84Å; V286-R290 HydrophobicContact CG1-CG 4.22Å; V286-R290 VanDerWaalsContact O-CB 3.26Å; V286-R290 WeakPolarHBondContact O-CB 3.21Å; V286-R290 WeakPolarHBondContact O-CG 3.37Å; V286-R290 PolarHBondContact O-N 2.82Å
287F73.5Confident70.5Confident6 Ų658.9 Ų58.93%0.02630%0.299CS..Hα-helixtrans-69.9-44.5178.3176.1-89.7000112.2Y84 L88 A89 L259 M284 H285 T289 R290 F291 L292Y84-F287 HydrophobicContact CE2-CB 3.64Å; Y84-F287 AromaticContact CE2-CD1 3.8Å; Y84-F287 HydrophobicContact CE2-CD1 3.8Å; Y84-F287 HydrophobicContact CE2-CD2 4.44Å; Y84-F287 AromaticContact CE2-CG 3.73Å; Y84-F287 HydrophobicContact CE2-CG 3.73Å; Y84-F287 WeakPolarHBondContact OH-CB 3.38Å; L88-F287 HydrophobicContact CB-CE1 3.96Å; L88-F287 HydrophobicContact CB-CZ 3.97Å; L88-F287 WeakPolarHBondContact O-CZ 3.38Å; A89-F287 HydrophobicContact CB-CD2 4.22Å; A89-F287 HydrophobicContact CB-CE2 4.31Å; L259-F287 HydrophobicContact CD2-CE1 4.36Å; L259-F287 HydrophobicContact CD2-CZ 3.74Å; M284-F287 WeakPolarHBondContact O-CB 3.49Å; M284-F287 PolarHBondContact O-N 3.28Å; H285-F287 VanDerWaalsContact C-N 3.28Å; H285-F287 PolarHBondContact O-N 3.02Å; F287-T289 VanDerWaalsContact C-N 3.3Å; F287-T289 PolarHBondContact O-N 2.98Å; F287-R290 PolarHBondContact O-N 3Å; F287-F291 HydrophobicContact CB-CD2 4.26Å; F287-F291 HydrophobicContact CD2-CB 4.28Å; F287-F291 AromaticContact CD2-CD2 3.29Å; F287-F291 HydrophobicContact CD2-CD2 3.29Å; F287-F291 AromaticContact CD2-CE2 3.81Å; F287-F291 HydrophobicContact CD2-CE2 3.81Å; F287-F291 HydrophobicContact CD2-CG 4Å; F287-F291 HydrophobicContact CE2-CB 4.13Å; F287-F291 AromaticContact CE2-CD2 3.76Å; F287-F291 HydrophobicContact CE2-CD2 3.76Å; F287-F291 HydrophobicContact CE2-CE2 4.37Å; F287-F291 HydrophobicContact CE2-CG 4.02Å; F287-F291 AromaticContact CG-CD2 3.89Å; F287-F291 HydrophobicContact CG-CD2 3.89Å; F287-F291 HydrophobicContact CZ-CB 4.34Å; F287-F291 WeakPolarHBondContact O-CB 3.12Å; F287-F291 PolarHBondContact O-N 3.25Å; F287-L292 HydrophobicContact CD1-CD1 4.2Å; F287-L292 HydrophobicContact CD1-CG 4.48Å; F287-L292 HydrophobicContact CE1-CD1 3.85Å; F287-L292 HydrophobicContact CE1-CG 4.11Å
288Q72Confident68.7Low38 Ų3860.7 Ų60.718%0.17832%0.317CS..Iπ-helixtrans-57.8-46175.1-69.9177.1-14.300111.1M284 H285 L292 Q293M284-Q288 PolarHBondContact O-N 2.95Å; M284-Q288 VanDerWaalsContact O-N 3.12Å; H285-Q288 PolarHBondContact O-N 2.85Å; Q288-L292 CarbonylContact O-C 3.57Å; Q288-L292 WeakPolarHBondContact O-CA 3.35Å; Q288-L292 VanDerWaalsContact O-CB 3.3Å; Q288-L292 WeakPolarHBondContact O-CB 3.38Å; Q288-L292 PolarHBondContact O-N 3.32Å; Q288-Q293 PolarHBondContact O-N 3.33Å
289T70.1Confident66.8Low35 Ų3557.5 Ų57.522%0.21531%0.305CS..Iπ-helixtrans-68.7-43.1-179.753.50000112.5H285 V286 F287 Q293H285-T289 WeakPolarHBondContact NE2-CG2 3.45Å; H285-T289 WeakPolarHBondContact O-CB 3.43Å; H285-T289 VanDerWaalsContact O-CG2 3.31Å; H285-T289 WeakPolarHBondContact O-CG2 3.36Å; H285-T289 PolarHBondContact O-N 2.83Å; H285-T289 PolarHBondContact O-OG1 2.89Å; V286-T289 WeakPolarHBondContact CA-OG1 3.2Å; V286-T289 PolarHBondContact O-OG1 2.84Å; F287-T289 VanDerWaalsContact C-N 3.3Å; F287-T289 PolarHBondContact O-N 2.98Å; T289-Q293 VanDerWaalsContact CB-NE2 3.33Å; T289-Q293 VanDerWaalsContact O-CB 3.3Å; T289-Q293 WeakPolarHBondContact O-CB 3.35Å; T289-Q293 WeakPolarHBondContact O-CG 3.49Å; T289-Q293 PolarHBondContact O-OE1 3.33Å
290R68.5Low65.2Low148 Ų14858.7 Ų58.756%0.55831%0.311SS*.Iπ-helixtrans-83.9-33.5-174.4-69.4-172.9171.8164.1-2115.1M246 T249 V286 F287M246-R290 PolarHBondContact O-NH1 2.87Å; T249-R290 PolarHBondContact OG1-NH1 3.03Å; V286-R290 HydrophobicContact CG1-CG 4.22Å; V286-R290 VanDerWaalsContact O-CB 3.26Å; V286-R290 WeakPolarHBondContact O-CB 3.21Å; V286-R290 WeakPolarHBondContact O-CG 3.37Å; V286-R290 PolarHBondContact O-N 2.82Å; F287-R290 PolarHBondContact O-N 3Å
291F70Confident63.6Low49 Ų4960.1 Ų60.122%0.21532%0.322CS..Iπ-helixtrans-109.2-21-171.4-63.1-78.9000113.9T249 I253 R255 F287T249-F291 HydrophobicContact CG2-CE2 3.64Å; T249-F291 HydrophobicContact CG2-CZ 3.71Å; I253-F291 HydrophobicContact CB-CZ 4.23Å; I253-F291 HydrophobicContact CG2-CE2 4.14Å; I253-F291 HydrophobicContact CG2-CZ 3.95Å; R255-F291 HydrophobicContact CB-CE1 4.43Å; R255-F291 HydrophobicContact CG-CD1 4.47Å; F287-F291 HydrophobicContact CB-CD2 4.26Å; F287-F291 HydrophobicContact CD2-CB 4.28Å; F287-F291 AromaticContact CD2-CD2 3.29Å; F287-F291 HydrophobicContact CD2-CD2 3.29Å; F287-F291 AromaticContact CD2-CE2 3.81Å; F287-F291 HydrophobicContact CD2-CE2 3.81Å; F287-F291 HydrophobicContact CD2-CG 4Å; F287-F291 HydrophobicContact CE2-CB 4.13Å; F287-F291 AromaticContact CE2-CD2 3.76Å; F287-F291 HydrophobicContact CE2-CD2 3.76Å; F287-F291 HydrophobicContact CE2-CE2 4.37Å; F287-F291 HydrophobicContact CE2-CG 4.02Å; F287-F291 AromaticContact CG-CD2 3.89Å; F287-F291 HydrophobicContact CG-CD2 3.89Å; F287-F291 HydrophobicContact CZ-CB 4.34Å; F287-F291 WeakPolarHBondContact O-CB 3.12Å; F287-F291 PolarHBondContact O-N 3.25Å
292L71Confident61.9Low4 Ų463.7 Ų63.72%0.02134%0.338CS..Iπ-helixtrans-115.9-12.6-171.1-67.9-173.4000113.5L259 R260 F263 F287 Q288 S294 I300L259-L292 HydrophobicContact CD2-CD2 4.39Å; L259-L292 HydrophobicContact CG-CD2 4.3Å; R260-L292 HydrophobicContact CB-CD2 4.2Å; F263-L292 HydrophobicContact CD2-CD1 4.37Å; F263-L292 HydrophobicContact CD2-CD2 3.89Å; F263-L292 HydrophobicContact CE2-CD1 4.25Å; F263-L292 HydrophobicContact CE2-CD2 4.19Å; F287-L292 HydrophobicContact CD1-CD1 4.2Å; F287-L292 HydrophobicContact CD1-CG 4.48Å; F287-L292 HydrophobicContact CE1-CD1 3.85Å; F287-L292 HydrophobicContact CE1-CG 4.11Å; Q288-L292 CarbonylContact O-C 3.57Å; Q288-L292 WeakPolarHBondContact O-CA 3.35Å; Q288-L292 VanDerWaalsContact O-CB 3.3Å; Q288-L292 WeakPolarHBondContact O-CB 3.38Å; Q288-L292 PolarHBondContact O-N 3.32Å; L292-S294 PolarHBondContact O-N 3.37Å; L292-I300 HydrophobicContact CB-CB 4.45Å; L292-I300 HydrophobicContact CB-CD1 3.45Å; L292-I300 VanDerWaalsContact CB-CD1 3.45Å; L292-I300 HydrophobicContact CB-CG1 4.45Å; L292-I300 HydrophobicContact CB-CG2 4.14Å; L292-I300 HydrophobicContact CD1-CD1 4.03Å; L292-I300 HydrophobicContact CD1-CG2 3.93Å; L292-I300 HydrophobicContact CD2-CD1 3.77Å; L292-I300 HydrophobicContact CG-CD1 3.91Å; L292-I300 WeakPolarHBondContact O-CD1 3.23Å
293Q62.9Low60.7Low123 Ų12360.3 Ų60.358%0.57532%0.324SS*.  trans-58.1130178-85.8176.27.200113.2R260 Q288 T289R260-Q293 PolarHBondContact NH1-O 2.89Å; Q288-Q293 PolarHBondContact O-N 3.33Å; T289-Q293 VanDerWaalsContact CB-NE2 3.33Å; T289-Q293 VanDerWaalsContact O-CB 3.3Å; T289-Q293 WeakPolarHBondContact O-CB 3.35Å; T289-Q293 WeakPolarHBondContact O-CG 3.49Å; T289-Q293 PolarHBondContact O-OE1 3.33Å
294S52.5Low59.3Low28 Ų2860.4 Ų60.420%0.19633%0.325CS..  trans-86142.2165.952.90000111.5R260 L292 Q296R260-S294 VanDerWaalsContact NH2-CB 3.35Å; L292-S294 PolarHBondContact O-N 3.37Å; S294-Q296 VanDerWaalsContact CB-O 3.26Å; S294-Q296 WeakPolarHBondContact CB-O 3.3Å; S294-Q296 PolarHBondContact O-N 3.49Å; S294-Q296 PolarHBondContact OG-O 3.35Å
295S47.4Very low57.9Low119 Ų11960.4 Ų60.483%0.83233%0.325SS*.SBendtrans-66.9-8.3172.849.40000113
296Q44.4Very low56.8Low162 Ų16256.8 Ų56.876%0.75731%0.309SS*.SBendtrans-124.5122.6170.3-64.4-169.31.800107.7S294 G298S294-Q296 VanDerWaalsContact CB-O 3.26Å; S294-Q296 WeakPolarHBondContact CB-O 3.3Å; S294-Q296 PolarHBondContact O-N 3.49Å; S294-Q296 PolarHBondContact OG-O 3.35Å; Q296-G298 PolarHBondContact O-N 2.85Å
297N39.9Very low55.9Low172 Ų17256 Ų5692%0.9231%0.305SS*.THydrogen-bonded Turntrans-17.7117.9179.9-64.2-21.6000116.2
298G45.1Very low54.9Low40 Ų4056.5 Ų56.541%0.41231%0.308SS..THydrogen-bonded Turntrans97.6-1.2138.900000120.2Q296 I300 S301Q296-G298 PolarHBondContact O-N 2.85Å; G298-I300 PolarHBondContact O-N 2.93Å; G298-S301 PolarHBondContact O-N 3.36Å; G298-S301 PolarHBondContact O-OG 2.78Å
299A41Very low53.9Low28 Ų2860.3 Ų60.323%0.23132%0.322CS..THydrogen-bonded Turntrans-63.8-11.5-169.500000116.1E264E264-A299 HydrophobicContact CG-CB 4.23Å
300I50.9Low52.6Low25 Ų2561.2 Ų61.213%0.12833%0.33CS..THydrogen-bonded Turntrans-116.98.5177.7-65.5-179.9000112.1R260 F263 L292 G298 E302 M303R260-I300 HydrophobicContact CG-CD1 4.4Å; F263-I300 HydrophobicContact CB-CD1 3.89Å; F263-I300 HydrophobicContact CB-CG1 4.33Å; F263-I300 HydrophobicContact CD2-CD1 4.37Å; F263-I300 HydrophobicContact CG-CD1 4.4Å; L292-I300 HydrophobicContact CB-CB 4.45Å; L292-I300 HydrophobicContact CB-CD1 3.45Å; L292-I300 VanDerWaalsContact CB-CD1 3.45Å; L292-I300 HydrophobicContact CB-CG1 4.45Å; L292-I300 HydrophobicContact CB-CG2 4.14Å; L292-I300 HydrophobicContact CD1-CD1 4.03Å; L292-I300 HydrophobicContact CD1-CG2 3.93Å; L292-I300 HydrophobicContact CD2-CD1 3.77Å; L292-I300 HydrophobicContact CG-CD1 3.91Å; L292-I300 WeakPolarHBondContact O-CD1 3.23Å; G298-I300 PolarHBondContact O-N 2.93Å; I300-E302 PolarHBondContact O-N 3.3Å; I300-M303 HydrophobicContact CG2-CG 4.41Å; I300-M303 HydrophobicContact CG2-SD 3.92Å
301S46.9Very low51.4Low66 Ų6659.4 Ų59.446%0.46233%0.327SS..THydrogen-bonded Turntrans-71.6-20.5168.664.50000112.4G298 M303 H343G298-S301 PolarHBondContact O-N 3.36Å; G298-S301 PolarHBondContact O-OG 2.78Å; S301-M303 PolarHBondContact O-N 3.25Å; S301-M303 VanDerWaalsContact O-N 3.16Å; S301-H343 PolarHBondContact O-CD2 3Å; S301-H343 PolarHBondContact O-NE2 3.2Å
302E45.6Very low49.6Very low93 Ų9362.2 Ų62.244%0.43535%0.349SS..THydrogen-bonded Turntrans-73.5-0.8-176.7-67-173.6-169.900115.3V267 I300 L304V267-E302 WeakPolarHBondContact CG1-OE2 3.29Å; V267-E302 HydrophobicContact CG2-CB 4.46Å; I300-E302 PolarHBondContact O-N 3.3Å; E302-L304 PolarHBondContact O-N 3.1Å; E302-L304 VanDerWaalsContact O-N 3.12Å
303M55.8Low47.7Very low19 Ų1965.8 Ų65.89%0.09437%0.371CS..  trans-61.1118.1174.1-74.3-178.9134.400109.9F263 V273 I300 S301 A305F263-M303 HydrophobicContact CD1-CE 4.18Å; F263-M303 HydrophobicContact CE1-CE 3.61Å; F263-M303 HydrophobicContact CZ-CE 3.84Å; V273-M303 HydrophobicContact CB-CG 4.25Å; V273-M303 HydrophobicContact CG1-CE 3.46Å; V273-M303 VanDerWaalsContact CG1-CE 3.46Å; V273-M303 HydrophobicContact CG1-CG 3.93Å; V273-M303 CarbonylContact O-C 3.54Å; V273-M303 WeakPolarHBondContact O-CA 3.5Å; I300-M303 HydrophobicContact CG2-CG 4.41Å; I300-M303 HydrophobicContact CG2-SD 3.92Å; S301-M303 PolarHBondContact O-N 3.25Å; S301-M303 VanDerWaalsContact O-N 3.16Å; M303-A305 PolarHBondContact O-N 2.78Å
304L51.8Low46.5Very low5 Ų563.6 Ų63.63%0.02638%0.382CS..EExtended strand (participates in β ladder)trans-65.2126.3170.6-168.393.3000108.1V273 F274 E302 I340 H342 T358V273-L304 PolarHBondContact O-N 2.61Å; F274-L304 WeakPolarHBondContact CA-O 3.1Å; F274-L304 HydrophobicContact CB-CB 4.19Å; F274-L304 WeakPolarHBondContact CB-O 3.4Å; E302-L304 PolarHBondContact O-N 3.1Å; E302-L304 VanDerWaalsContact O-N 3.12Å; L304-I340 HydrophobicContact CD2-CG2 4.41Å; L304-I340 HydrophobicContact CG-CG2 4.21Å; L304-H342 HydrophobicContact CD1-CB 4.43Å; L304-H342 VanDerWaalsContact CD1-CE1 3.47Å; L304-H342 WeakPolarHBondContact CD1-CE1 3.35Å; L304-H342 WeakPolarHBondContact CD1-ND1 3.33Å; L304-T358 HydrophobicContact CD2-CG2 3.73Å
305A53.8Low45.7Very low0 Ų065.8 Ų65.80%039%0.391CS..EExtended strand (participates in β ladder)trans37.996161.200000117.3L275 M303 A307 I340 S344 Y346L275-A305 VanDerWaalsContact O-O 3.08Å; M303-A305 PolarHBondContact O-N 2.78Å; A305-A307 PolarHBondContact O-N 3.07Å; A305-I340 HydrophobicContact CB-CG2 3.36Å; A305-S344 VanDerWaalsContact CA-O 3.27Å; A305-S344 WeakPolarHBondContact CA-O 3.26Å; A305-S344 PolarHBondContact N-O 2.9Å; A305-Y346 HydrophobicContact CB-CD2 3.47Å; A305-Y346 VanDerWaalsContact CB-CD2 3.47Å; A305-Y346 HydrophobicContact CB-CE2 3.82Å
306C56.2Low45.6Very low8 Ų865.5 Ų65.55%0.05439%0.387CS..EExtended strand (participates in β ladder)trans-66.3120.1156.5-61.90000107.5L275 M284 V345 Y346L275-C306 VanDerWaalsContact O-CA 3.24Å; L275-C306 WeakPolarHBondContact O-CA 3.43Å; M284-C306 HydrophobicContact CE-CB 4.32Å; C306-V345 HydrophobicContact CB-CG1 4.14Å; C306-Y346 CarbonylContact O-C 3.35Å; C306-Y346 WeakPolarHBondContact O-CA 3.24Å; C306-Y346 PolarHBondContact O-N 3.08Å
307A54.8Low45.3Very low8 Ų861.7 Ų61.77%0.06638%0.382CS..EExtended strand (participates in β ladder)trans-101.2112.1168.900000108.6L275 I276 S277 A305 F322 Y346L275-A307 PolarHBondContact O-N 2.91Å; I276-A307 HydrophobicContact CG1-CB 4.43Å; S277-A307 PolarHBondContact N-O 3.19Å; A305-A307 PolarHBondContact O-N 3.07Å; A307-F322 HydrophobicContact CB-CE1 3.79Å; A307-Y346 WeakPolarHBondContact CA-O 3.42Å
308T52.7Low45.6Very low16 Ų1659.9 Ų59.910%0.09837%0.367CS..EExtended strand (participates in β ladder)trans-84.6113.4171.553.10000110.3S277 S279 M284 S310 Y346 S347 G348S277-T308 CarbonylContact O-C 3.55Å; S277-T308 WeakPolarHBondContact O-CA 3.25Å; S279-T308 VanDerWaalsContact O-CG2 3.29Å; S279-T308 WeakPolarHBondContact O-CG2 3.31Å; M284-T308 HydrophobicContact CE-CG2 3.46Å; M284-T308 VanDerWaalsContact CE-CG2 3.46Å; T308-S310 PolarHBondContact O-N 3.08Å; T308-Y346 PolarHBondContact N-O 3.33Å; T308-Y346 VanDerWaalsContact N-O 3.11Å; T308-S347 PolarHBondContact O-OG 2.8Å; T308-S347 WeakPolarHBondContact OG1-CA 3.43Å; T308-S347 WeakPolarHBondContact OG1-CB 3.28Å; T308-S347 PolarHBondContact OG1-OG 3.46Å; T308-G348 PolarHBondContact O-N 3.32Å
309Y51.7Low46Very low118 Ų11863.7 Ų63.746%0.46338%0.377SS..  trans-72.6109.2168.3-132.6-92.9000107.7S277 N278 E311S277-Y309 PolarHBondContact O-N 3.13Å; N278-Y309 WeakPolarHBondContact OD1-CB 3.43Å; Y309-E311 PolarHBondContact O-N 3.31Å
310S42.4Very low47.1Very low54 Ų5465.1 Ų65.138%0.37838%0.382SS..  trans-87.897.2173.6-170.90000108.1T308 T312T308-S310 PolarHBondContact O-N 3.08Å; S310-T312 PolarHBondContact O-N 2.8Å; S310-T312 WeakPolarHBondContact OG-CG2 3.2Å; S310-T312 PolarHBondContact OG-OG1 2.71Å
311E41.9Very low48.7Very low110 Ų11070 Ų7051%0.51440%0.403SS..  trans-69.745.7166.7-69.9-166.4168.600112R233 Y309 T313R233-E311 IonicContact NH2-OE2 3.52Å; Y309-E311 PolarHBondContact O-N 3.31Å; E311-T313 VanDerWaalsContact C-N 3.27Å; E311-T313 PolarHBondContact O-N 2.93Å
312T33.5Very low50.6Low108 Ų10867.3 Ų67.366%0.66338%0.383SS*.  trans-82.2-2.9-17738.40000114.3S310S310-T312 PolarHBondContact O-N 2.8Å; S310-T312 WeakPolarHBondContact OG-CG2 3.2Å; S310-T312 PolarHBondContact OG-OG1 2.71Å
313T30.8Very low52.6Low79 Ų7967.5 Ų67.549%0.48538%0.38SS..  trans-150.5121.6167.1490000107.2E311 D315E311-T313 VanDerWaalsContact C-N 3.27Å; E311-T313 PolarHBondContact O-N 2.93Å; T313-D315 PolarHBondContact O-N 3.38Å
314G37.5Very low54.1Low78 Ų7869 Ų6980%0.80439%0.387SS*.  trans-65.830.5168.500000113.1P316G314-P316 WeakPolarHBondContact O-CD 3.46Å
315D36.6Very low55.7Low73 Ų7369.8 Ų69.839%0.3939%0.39SS..  trans-102.4104.3179.6-171.6-6.1000108.4T313 A317 F318T313-D315 PolarHBondContact O-N 3.38Å; D315-A317 PolarHBondContact O-N 3.42Å; D315-A317 WeakPolarHBondContact OD1-CB 3.38Å; D315-A317 PolarHBondContact OD1-N 3.12Å; D315-F318 HydrophobicContact CB-CD2 4.18Å; D315-F318 PolarHBondContact O-N 2.88Å; D315-F318 VanDerWaalsContact O-N 3.1Å
316P43.9Very low57.2Low114 Ų11473.8 Ų73.874%0.7441%0.409SS*.THydrogen-bonded Turntrans-60.9-9.5175.922.7-30.8000113.5G314 F318G314-P316 WeakPolarHBondContact O-CD 3.46Å; P316-F318 VanDerWaalsContact C-N 3.26Å; P316-F318 PolarHBondContact O-N 3Å
317A38Very low58.3Low81 Ų8176.4 Ų76.467%0.66943%0.426SS*.THydrogen-bonded Turntrans-70.6-18.9172.900000113.6D315 I319D315-A317 PolarHBondContact O-N 3.42Å; D315-A317 WeakPolarHBondContact OD1-CB 3.38Å; D315-A317 PolarHBondContact OD1-N 3.12Å; A317-I319 PolarHBondContact O-N 3.47Å
318F47.2Very low59.6Low134 Ų13482.4 Ų82.459%0.58846%0.462SS*.  trans-96.364.9173.9-73.1-85.9000111.1D315 P316 T320D315-F318 HydrophobicContact CB-CD2 4.18Å; D315-F318 PolarHBondContact O-N 2.88Å; D315-F318 VanDerWaalsContact O-N 3.1Å; P316-F318 VanDerWaalsContact C-N 3.26Å; P316-F318 PolarHBondContact O-N 3Å; F318-T320 HydrophobicContact CB-CG2 4.41Å; F318-T320 PolarHBondContact O-N 2.98Å
319I52.6Low61.1Low121 Ų12185.3 Ų85.362%0.62148%0.479SS*.  trans-63.191.8158.3-61175.3000106.3A317 K321 N350A317-I319 PolarHBondContact O-N 3.47Å; I319-K321 PolarHBondContact O-N 3.21Å; I319-N350 HydrophobicContact CG2-CB 4.42Å
320T65.5Low62.6Low58 Ų5884.9 Ų84.936%0.35649%0.485SS..PPolyproline II helixtrans-68.7123.5-17756.90000108.4F318 G348 G349F318-T320 HydrophobicContact CB-CG2 4.41Å; F318-T320 PolarHBondContact O-N 2.98Å; T320-G348 WeakPolarHBondContact OG1-CA 3.27Å; T320-G349 CarbonylContact O-C 3.59Å; T320-G349 WeakPolarHBondContact O-CA 3.41Å; T320-G349 PolarHBondContact O-N 3.02Å
321K83.3Confident64.6Low127 Ų12785.9 Ų85.955%0.55249%0.489SS*.PPolyproline II helixtrans-65.4155.4166.8-68.4-62.5-174.5179.60109.1I319 R323 D353I319-K321 PolarHBondContact O-N 3.21Å; K321-R323 PolarHBondContact O-N 3.34Å; K321-D353 WeakPolarHBondContact CD-OD2 3.23Å; K321-D353 WeakPolarHBondContact CE-OD2 3.34Å; K321-D353 IonicContact NZ-OD1 2.78Å; K321-D353 PolarHBondContact NZ-OD1 2.97Å; K321-D353 IonicContact NZ-OD2 3.68Å; K321-D353 PolarHBondContact NZ-OD2 2.83Å
322F86.8Confident66.7Low10 Ų1083.4 Ų83.44%0.04448%0.479CS..PPolyproline II helixtrans-56.1133.5173.4-77.8-74.3000110.7A307 V337 I340 G348 D353 F354 L357A307-F322 HydrophobicContact CB-CE1 3.79Å; F322-V337 HydrophobicContact CB-CB 4.05Å; F322-V337 HydrophobicContact CB-CG1 4.23Å; F322-V337 HydrophobicContact CB-CG2 4.13Å; F322-V337 WeakPolarHBondContact O-CG2 3.37Å; F322-I340 HydrophobicContact CD1-CD1 4.26Å; F322-I340 HydrophobicContact CD2-CD1 4.07Å; F322-I340 HydrophobicContact CE1-CD1 4.19Å; F322-I340 HydrophobicContact CE2-CD1 4.01Å; F322-I340 HydrophobicContact CG-CD1 4.2Å; F322-I340 HydrophobicContact CZ-CD1 4.06Å; F322-G348 WeakPolarHBondContact CE1-O 3.33Å; F322-D353 HydrophobicContact CD2-CB 3.9Å; F322-D353 HydrophobicContact CE2-CB 3.88Å; F322-F354 HydrophobicContact CE2-CB 3.86Å; F322-F354 HydrophobicContact CZ-CB 3.78Å; F322-F354 AromaticContact CZ-CD2 3.91Å; F322-F354 HydrophobicContact CZ-CD2 3.91Å; F322-F354 HydrophobicContact CZ-CG 4.31Å; F322-L357 HydrophobicContact CB-CD1 4.43Å; F322-L357 HydrophobicContact CD2-CD1 3.65Å; F322-L357 HydrophobicContact CE2-CD1 4.39Å; F322-L357 HydrophobicContact CG-CD1 4.36Å
323R87.4Confident69.3Low97 Ų9778.9 Ų78.937%0.36645%0.452SS..EExtended strand (participates in β ladder)trans-120.8136.1168.7-64.8-170.665.6-169.7-1.6109.2K321 Y325 L332 S333 Y346 S347K321-R323 PolarHBondContact O-N 3.34Å; R323-Y325 PolarHBondContact O-N 3.06Å; R323-L332 HydrophobicContact CB-CB 4.37Å; R323-L332 HydrophobicContact CB-CD2 4.19Å; R323-L332 VanDerWaalsContact CZ-CB 3.44Å; R323-L332 PolarHBondContact NH2-O 3.07Å; R323-S333 PolarHBondContact NE-O 2.72Å; R323-S333 PolarHBondContact NH2-O 3.11Å; R323-Y346 CarbonylContact O-C 3.57Å; R323-Y346 VanDerWaalsContact O-CA 3.23Å; R323-Y346 WeakPolarHBondContact O-CA 3.29Å; R323-S347 PolarHBondContact N-O 2.74Å; R323-S347 PolarHBondContact O-N 3.25Å
324L88.7Confident72Confident49 Ų4985.4 Ų85.426%0.25747%0.468SS..EExtended strand (participates in β ladder)trans-66.4124.3172.8-179.372.3000108.7L332 S333 Y346L324-L332 CarbonylContact O-C 3.51Å; L324-S333 WeakPolarHBondContact O-CB 3.03Å; L324-S333 PolarHBondContact O-N 3.3Å; L324-Y346 HydrophobicContact CB-CD1 4.38Å; L324-Y346 HydrophobicContact CB-CE1 4.26Å; L324-Y346 HydrophobicContact CD1-CD1 4.28Å; L324-Y346 HydrophobicContact CD1-CE1 3.82Å
325Y84.6Confident74.5Confident22 Ų2287 Ų879%0.08645%0.454CS..EExtended strand (participates in β ladder)trans-99.4133.8175.8175.5-98000109.3F281 R323 P327 N330 L332 V345F281-Y325 HydrophobicContact CB-CD1 4.18Å; F281-Y325 HydrophobicContact CB-CE1 3.49Å; F281-Y325 VanDerWaalsContact CB-CE1 3.49Å; F281-Y325 HydrophobicContact CD1-CD1 4.47Å; F281-Y325 AromaticContact CD1-CE1 3.59Å; F281-Y325 HydrophobicContact CD1-CE1 3.59Å; F281-Y325 HydrophobicContact CD2-CE1 4.33Å; F281-Y325 HydrophobicContact CE1-CE1 4.46Å; F281-Y325 HydrophobicContact CG-CD1 4.12Å; F281-Y325 AromaticContact CG-CE1 3.51Å; F281-Y325 HydrophobicContact CG-CE1 3.51Å; R323-Y325 PolarHBondContact O-N 3.06Å; Y325-P327 HydrophobicContact CD1-CG 4.12Å; Y325-P327 HydrophobicContact CE1-CB 4.32Å; Y325-P327 HydrophobicContact CE1-CG 4.11Å; Y325-P327 WeakPolarHBondContact O-CD 3.41Å; Y325-N330 WeakPolarHBondContact CE2-OD1 3.26Å; Y325-N330 PolarHBondContact OH-OD1 2.78Å; Y325-L332 HydrophobicContact CD2-CD2 3.71Å; Y325-L332 HydrophobicContact CD2-CG 4.37Å; Y325-L332 HydrophobicContact CG-CD2 4.24Å; Y325-V345 HydrophobicContact CD1-CB 4.1Å; Y325-V345 HydrophobicContact CD1-CG1 3.56Å; Y325-V345 HydrophobicContact CE1-CG1 4.46Å; Y325-V345 HydrophobicContact CG-CG1 4.21Å; Y325-V345 PolarHBondContact N-O 3.13Å
326Q85.5Confident77Confident85 Ų8592.2 Ų92.240%0.39747%0.473SS..EExtended strand (participates in β ladder)trans-102.3104.9176.7-68.5-177.1-1.600109.9T328 T329 N330 V331Q326-T328 VanDerWaalsContact C-N 3.26Å; Q326-T328 PolarHBondContact O-N 3.12Å; Q326-T329 VanDerWaalsContact CB-OG1 3.26Å; Q326-T329 WeakPolarHBondContact CB-OG1 3.14Å; Q326-T329 PolarHBondContact O-N 3.11Å; Q326-T329 PolarHBondContact OE1-OG1 2.89Å; Q326-T329 VanDerWaalsContact OE1-OG1 3.11Å; Q326-N330 WeakPolarHBondContact O-CA 3.39Å; Q326-N330 PolarHBondContact O-N 3.19Å; Q326-V331 PolarHBondContact N-O 2.58Å
327P79.7Confident79.2Confident63 Ų6387.7 Ų87.741%0.40944%0.444SS..THydrogen-bonded Turntrans-57.2-33.6-178.3-33.140.5000115.7F281 Y325 V345F281-P327 HydrophobicContact CD1-CB 4.04Å; F281-P327 HydrophobicContact CD1-CG 4.21Å; F281-P327 HydrophobicContact CE1-CB 3.45Å; F281-P327 VanDerWaalsContact CE1-CB 3.45Å; F281-P327 HydrophobicContact CE1-CG 3.64Å; F281-P327 HydrophobicContact CE2-CG 4.31Å; F281-P327 HydrophobicContact CZ-CB 3.95Å; F281-P327 HydrophobicContact CZ-CG 3.67Å; Y325-P327 HydrophobicContact CD1-CG 4.12Å; Y325-P327 HydrophobicContact CE1-CB 4.32Å; Y325-P327 HydrophobicContact CE1-CG 4.11Å; Y325-P327 WeakPolarHBondContact O-CD 3.41Å; P327-V345 HydrophobicContact CG-CB 4.36Å; P327-V345 HydrophobicContact CG-CG2 3.94Å
328T82.4Confident81.8Confident134 Ų13489.3 Ų89.382%0.82245%0.445SS*.THydrogen-bonded Turntrans-73.3-35.6-174.848.90000112.6Q326Q326-T328 VanDerWaalsContact C-N 3.26Å; Q326-T328 PolarHBondContact O-N 3.12Å
329T84.2Confident83.9Confident76 Ų7688.9 Ų88.947%0.46645%0.445SS..THydrogen-bonded Turntrans-101.6-12.9-178.155.30000112.5Q326 V331Q326-T329 VanDerWaalsContact CB-OG1 3.26Å; Q326-T329 WeakPolarHBondContact CB-OG1 3.14Å; Q326-T329 PolarHBondContact O-N 3.11Å; Q326-T329 PolarHBondContact OE1-OG1 2.89Å; Q326-T329 VanDerWaalsContact OE1-OG1 3.11Å; T329-V331 VanDerWaalsContact C-N 3.25Å; T329-V331 PolarHBondContact O-N 2.87Å
330N81.3Confident85.6Confident109 Ų10983.3 Ų83.358%0.58342%0.417SS*.THydrogen-bonded Turntrans56.837.9-171.5-168.436.4000112.5Y325 Q326Y325-N330 WeakPolarHBondContact CE2-OD1 3.26Å; Y325-N330 PolarHBondContact OH-OD1 2.78Å; Q326-N330 WeakPolarHBondContact O-CA 3.39Å; Q326-N330 PolarHBondContact O-N 3.19Å
331V84.6Confident86.5Confident76 Ų7683.2 Ų83.246%0.46142%0.416SS..EExtended strand (participates in β ladder)trans-117.4143.4-177.9177.80000110.9Q326 T329Q326-V331 PolarHBondContact N-O 2.58Å; T329-V331 VanDerWaalsContact C-N 3.25Å; T329-V331 PolarHBondContact O-N 2.87Å
332L86.1Confident86.3Confident57 Ų5781.3 Ų81.330%0.29841%0.409SS..EExtended strand (participates in β ladder)trans-88.6127.5167.8-65172.2000110.1R323 L324 Y325 S347R323-L332 HydrophobicContact CB-CB 4.37Å; R323-L332 HydrophobicContact CB-CD2 4.19Å; R323-L332 VanDerWaalsContact CZ-CB 3.44Å; R323-L332 PolarHBondContact NH2-O 3.07Å; L324-L332 CarbonylContact O-C 3.51Å; Y325-L332 HydrophobicContact CD2-CD2 3.71Å; Y325-L332 HydrophobicContact CD2-CG 4.37Å; Y325-L332 HydrophobicContact CG-CD2 4.24Å; L332-S347 VanDerWaalsContact CD2-CB 3.43Å
333S88.4Confident85.8Confident13 Ų1386.3 Ų86.39%0.09143%0.432CS..  trans-62.8137.2170.9-176.50000110.3R323 L324 E335R323-S333 PolarHBondContact NE-O 2.72Å; R323-S333 PolarHBondContact NH2-O 3.11Å; L324-S333 WeakPolarHBondContact O-CB 3.03Å; L324-S333 PolarHBondContact O-N 3.3Å; S333-E335 VanDerWaalsContact C-N 3.3Å; S333-E335 PolarHBondContact OG-N 3.35Å
334W86.9Confident85.6Confident216 Ų21683.1 Ų83.182%0.81842%0.424SS*.  trans-80-14.617656.1-93.1000112.4
335E89.9Confident85.4Confident113 Ų11381.6 Ų81.653%0.52842%0.417SS..SBendtrans-67.8142.4-179.2-63.917714700111.4S333 V337S333-E335 VanDerWaalsContact C-N 3.3Å; S333-E335 PolarHBondContact OG-N 3.35Å; E335-V337 PolarHBondContact O-N 3.12Å
336K90.7Very high85.5Confident181 Ų18180.9 Ų80.979%0.78741%0.414SS*.  trans-64.4125.7174.2-179.7-178.8177.7-176.90109.3T338K336-T338 PolarHBondContact O-N 3.16Å
337V90.1Very high85.4Confident19 Ų1977.5 Ų77.512%0.11540%0.4CS..  trans-71.5115170.1179.20000108.8F322 E335 Q339 I340 Y346 L357F322-V337 HydrophobicContact CB-CB 4.05Å; F322-V337 HydrophobicContact CB-CG1 4.23Å; F322-V337 HydrophobicContact CB-CG2 4.13Å; F322-V337 WeakPolarHBondContact O-CG2 3.37Å; E335-V337 PolarHBondContact O-N 3.12Å; V337-Q339 WeakPolarHBondContact CG1-O 3.22Å; V337-I340 HydrophobicContact CG1-CG1 4.26Å; V337-Y346 HydrophobicContact CB-CE1 4.4Å; V337-Y346 HydrophobicContact CG1-CD1 4.12Å; V337-Y346 HydrophobicContact CG1-CE1 3.6Å; V337-Y346 HydrophobicContact CG2-CD1 3.89Å; V337-Y346 HydrophobicContact CG2-CE1 3.81Å; V337-L357 HydrophobicContact CG1-CD1 4.2Å
338T91.9Very high85.4Confident115 Ų11574.7 Ų74.771%0.70638%0.383SS*.  trans-100.2-18.4177.153.30000112.8K336 L357K336-T338 PolarHBondContact O-N 3.16Å; T338-L357 VanDerWaalsContact C-CD2 3.4Å; T338-L357 WeakPolarHBondContact O-CD2 3.34Å
339Q91.7Very high85.4Confident125 Ų12568.4 Ų68.458%0.58435%0.345SS*.  trans-152.5142.5175.1-174177.8-10.200109.3V337 T341 Y346V337-Q339 WeakPolarHBondContact CG1-O 3.22Å; Q339-T341 HydrophobicContact CG-CG2 4.35Å; Q339-Y346 PolarHBondContact O-OH 2.63Å
340I87.5Confident85.2Confident5 Ų566.5 Ų66.53%0.02633%0.332CS..  trans-89.8117.8168.7-74.1173.4000108.2L304 A305 F322 V337 Y346 F354 L357 T358L304-I340 HydrophobicContact CD2-CG2 4.41Å; L304-I340 HydrophobicContact CG-CG2 4.21Å; A305-I340 HydrophobicContact CB-CG2 3.36Å; F322-I340 HydrophobicContact CD1-CD1 4.26Å; F322-I340 HydrophobicContact CD2-CD1 4.07Å; F322-I340 HydrophobicContact CE1-CD1 4.19Å; F322-I340 HydrophobicContact CE2-CD1 4.01Å; F322-I340 HydrophobicContact CG-CD1 4.2Å; F322-I340 HydrophobicContact CZ-CD1 4.06Å; V337-I340 HydrophobicContact CG1-CG1 4.26Å; I340-Y346 WeakPolarHBondContact CA-OH 3.37Å; I340-Y346 HydrophobicContact CB-CE2 4.29Å; I340-Y346 HydrophobicContact CG1-CD2 4.47Å; I340-Y346 HydrophobicContact CG1-CE1 4.39Å; I340-Y346 HydrophobicContact CG1-CE2 4.2Å; I340-Y346 HydrophobicContact CG2-CD2 4.31Å; I340-Y346 HydrophobicContact CG2-CE2 3.79Å; I340-F354 HydrophobicContact CD1-CD2 3.72Å; I340-F354 HydrophobicContact CD1-CE2 4.27Å; I340-L357 HydrophobicContact CB-CB 4.2Å; I340-L357 HydrophobicContact CD1-CB 3.91Å; I340-L357 HydrophobicContact CD1-CD1 4.21Å; I340-L357 HydrophobicContact CG1-CB 3.79Å; I340-L357 HydrophobicContact CG1-CD1 4.28Å; I340-L357 PolarHBondContact N-O 2.91Å; I340-T358 HydrophobicContact CB-CG2 3.59Å; I340-T358 HydrophobicContact CD1-CG2 3.86Å; I340-T358 HydrophobicContact CG1-CG2 4.3Å; I340-T358 HydrophobicContact CG2-CG2 3.56Å
341T84.1Confident85.2Confident55 Ų5562.3 Ų62.334%0.33731%0.309SS..  trans-104.1153.1-178.259.40000111.4Q339 S344 Y346Q339-T341 HydrophobicContact CG-CG2 4.35Å; T341-S344 PolarHBondContact OG1-OG 3.26Å; T341-Y346 PolarHBondContact N-OH 3.43Å; T341-Y346 PolarHBondContact OG1-OH 3.19Å
342H79.3Confident85Confident87 Ų8759.7 Ų59.740%0.40330%0.298SS..BIsolated β-bridgetrans-58.2149.7171.5-65.6-90.4000110.7L304 S344L304-H342 HydrophobicContact CD1-CB 4.43Å; L304-H342 VanDerWaalsContact CD1-CE1 3.47Å; L304-H342 WeakPolarHBondContact CD1-CE1 3.35Å; L304-H342 WeakPolarHBondContact CD1-ND1 3.33Å; H342-S344 PolarHBondContact O-N 2.87Å; H342-S344 VanDerWaalsContact O-N 3.13Å
343H76Confident85Confident116 Ų11658 Ų5854%0.53729%0.289SS..THydrogen-bonded Turntrans67.31.5177.5-46.286.9000115.7S301S301-H343 PolarHBondContact O-CD2 3Å; S301-H343 PolarHBondContact O-NE2 3.2Å
344S83.7Confident84.8Confident29 Ų2957.6 Ų57.620%0.20329%0.286CS..  trans-93.9152174.3-65.80000111A305 T341 H342 Y346A305-S344 VanDerWaalsContact CA-O 3.27Å; A305-S344 WeakPolarHBondContact CA-O 3.26Å; A305-S344 PolarHBondContact N-O 2.9Å; T341-S344 PolarHBondContact OG1-OG 3.26Å; H342-S344 PolarHBondContact O-N 2.87Å; H342-S344 VanDerWaalsContact O-N 3.13Å; S344-Y346 WeakPolarHBondContact CB-OH 3.35Å
345V84.5Confident84.8Confident17 Ų1748 Ų4810%0.10325%0.25CS..EExtended strand (participates in β ladder)trans-111.3139.3175.8-179.50000108.2F281 C306 Y325 P327F281-V345 HydrophobicContact CD2-CB 4.41Å; F281-V345 HydrophobicContact CD2-CG1 3.5Å; F281-V345 VanDerWaalsContact CD2-CG1 3.5Å; F281-V345 HydrophobicContact CD2-CG2 4.07Å; F281-V345 HydrophobicContact CE2-CB 4.27Å; F281-V345 HydrophobicContact CE2-CG1 3.82Å; F281-V345 HydrophobicContact CE2-CG2 3.46Å; F281-V345 VanDerWaalsContact CE2-CG2 3.46Å; F281-V345 HydrophobicContact CG-CG1 4.26Å; F281-V345 HydrophobicContact CZ-CG2 4.05Å; C306-V345 HydrophobicContact CB-CG1 4.14Å; Y325-V345 HydrophobicContact CD1-CB 4.1Å; Y325-V345 HydrophobicContact CD1-CG1 3.56Å; Y325-V345 HydrophobicContact CE1-CG1 4.46Å; Y325-V345 HydrophobicContact CG-CG1 4.21Å; Y325-V345 PolarHBondContact N-O 3.13Å; P327-V345 HydrophobicContact CG-CB 4.36Å; P327-V345 HydrophobicContact CG-CG2 3.94Å
346Y86.7Confident84.6Confident7 Ų749.4 Ų49.43%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-128.9157.7-178.5-60.4-92.4000111.2A305 C306 A307 T308 R323 L324 V337 Q339 I340 T341 S344A305-Y346 HydrophobicContact CB-CD2 3.47Å; A305-Y346 VanDerWaalsContact CB-CD2 3.47Å; A305-Y346 HydrophobicContact CB-CE2 3.82Å; C306-Y346 CarbonylContact O-C 3.35Å; C306-Y346 WeakPolarHBondContact O-CA 3.24Å; C306-Y346 PolarHBondContact O-N 3.08Å; A307-Y346 WeakPolarHBondContact CA-O 3.42Å; T308-Y346 PolarHBondContact N-O 3.33Å; T308-Y346 VanDerWaalsContact N-O 3.11Å; R323-Y346 CarbonylContact O-C 3.57Å; R323-Y346 VanDerWaalsContact O-CA 3.23Å; R323-Y346 WeakPolarHBondContact O-CA 3.29Å; L324-Y346 HydrophobicContact CB-CD1 4.38Å; L324-Y346 HydrophobicContact CB-CE1 4.26Å; L324-Y346 HydrophobicContact CD1-CD1 4.28Å; L324-Y346 HydrophobicContact CD1-CE1 3.82Å; V337-Y346 HydrophobicContact CB-CE1 4.4Å; V337-Y346 HydrophobicContact CG1-CD1 4.12Å; V337-Y346 HydrophobicContact CG1-CE1 3.6Å; V337-Y346 HydrophobicContact CG2-CD1 3.89Å; V337-Y346 HydrophobicContact CG2-CE1 3.81Å; Q339-Y346 PolarHBondContact O-OH 2.63Å; I340-Y346 WeakPolarHBondContact CA-OH 3.37Å; I340-Y346 HydrophobicContact CB-CE2 4.29Å; I340-Y346 HydrophobicContact CG1-CD2 4.47Å; I340-Y346 HydrophobicContact CG1-CE1 4.39Å; I340-Y346 HydrophobicContact CG1-CE2 4.2Å; I340-Y346 HydrophobicContact CG2-CD2 4.31Å; I340-Y346 HydrophobicContact CG2-CE2 3.79Å; T341-Y346 PolarHBondContact N-OH 3.43Å; T341-Y346 PolarHBondContact OG1-OH 3.19Å; S344-Y346 WeakPolarHBondContact CB-OH 3.35Å
347S82.8Confident84.5Confident14 Ų1442.3 Ų42.310%0.09823%0.227CC..EExtended strand (participates in β ladder)trans-130.7149.8173.7-174.60000110T308 R323 L332T308-S347 PolarHBondContact O-OG 2.8Å; T308-S347 WeakPolarHBondContact OG1-CA 3.43Å; T308-S347 WeakPolarHBondContact OG1-CB 3.28Å; T308-S347 PolarHBondContact OG1-OG 3.46Å; R323-S347 PolarHBondContact N-O 2.74Å; R323-S347 PolarHBondContact O-N 3.25Å; L332-S347 VanDerWaalsContact CD2-CB 3.43Å
348G81.1Confident84.3Confident4 Ų442.2 Ų42.24%0.04123%0.227CC..SBendtrans71-146.2-173.400000111.3T308 T320 F322T308-G348 PolarHBondContact O-N 3.32Å; T320-G348 WeakPolarHBondContact OG1-CA 3.27Å; F322-G348 WeakPolarHBondContact CE1-O 3.33Å
349G80.7Confident83.9Confident3 Ų343.3 Ų43.33%0.03123%0.228CC..  trans88.7176.2-177.500000112.8T320T320-G349 CarbonylContact O-C 3.59Å; T320-G349 WeakPolarHBondContact O-CA 3.41Å; T320-G349 PolarHBondContact O-N 3.02Å
350N80Confident83.6Confident35 Ų3537.4 Ų37.419%0.18720%0.201CC..  trans-142.8163.817459.879.6000108.9I319 G352 D353 F354I319-N350 HydrophobicContact CG2-CB 4.42Å; N350-G352 PolarHBondContact O-N 3.2Å; N350-G352 WeakPolarHBondContact OD1-CA 3.27Å; N350-G352 PolarHBondContact OD1-N 2.77Å; N350-G352 VanDerWaalsContact OD1-N 3.12Å; N350-D353 PolarHBondContact ND2-OD2 2.6Å; N350-D353 PolarHBondContact O-N 3.25Å; N350-D353 PolarHBondContact OD1-N 3.05Å; N350-F354 WeakPolarHBondContact O-CB 3.27Å; N350-F354 PolarHBondContact O-N 3.31Å
351L81.4Confident83.4Confident21 Ų2144 Ų4411%0.1123%0.229CC..Hα-helixtrans-58.2-35.3-177.2-178.160.3000113.2F354 L355 E378 P379 V383 W385L351-F354 PolarHBondContact O-N 3Å; L351-L355 HydrophobicContact CD1-CD1 4.47Å; L351-L355 HydrophobicContact CD1-CG 4.48Å; L351-L355 HydrophobicContact CG-CD1 4.37Å; L351-L355 WeakPolarHBondContact O-CG 3.49Å; L351-L355 PolarHBondContact O-N 3.11Å; L351-E378 HydrophobicContact CD2-CG 4.24Å; L351-P379 HydrophobicContact CD2-CB 4.27Å; L351-P379 HydrophobicContact CD2-CG 4.32Å; L351-V383 HydrophobicContact CD2-CG2 3.63Å; L351-V383 HydrophobicContact CG-CG2 4.06Å; L351-W385 HydrophobicContact CD1-CH2 3.5Å; L351-W385 HydrophobicContact CD1-CZ2 3.65Å; L351-W385 HydrophobicContact CD1-CZ3 4.09Å
352G81.6Confident83.4Confident22 Ų2251 Ų5123%0.22726%0.255CS..Hα-helixtrans-62.8-5617800000111.7N350 F354 L355 E356N350-G352 PolarHBondContact O-N 3.2Å; N350-G352 WeakPolarHBondContact OD1-CA 3.27Å; N350-G352 PolarHBondContact OD1-N 2.77Å; N350-G352 VanDerWaalsContact OD1-N 3.12Å; G352-F354 PolarHBondContact O-N 3.09Å; G352-L355 PolarHBondContact O-N 3.12Å; G352-E356 PolarHBondContact O-N 3.41Å
353D85Confident83.9Confident22 Ų2251 Ų5112%0.11825%0.254CS..Hα-helixtrans-60-36.2176.5-69.9-29.3000111.1K321 F322 N350 L355 E356 L357K321-D353 WeakPolarHBondContact CD-OD2 3.23Å; K321-D353 WeakPolarHBondContact CE-OD2 3.34Å; K321-D353 IonicContact NZ-OD1 2.78Å; K321-D353 PolarHBondContact NZ-OD1 2.97Å; K321-D353 IonicContact NZ-OD2 3.68Å; K321-D353 PolarHBondContact NZ-OD2 2.83Å; F322-D353 HydrophobicContact CD2-CB 3.9Å; F322-D353 HydrophobicContact CE2-CB 3.88Å; N350-D353 PolarHBondContact ND2-OD2 2.6Å; N350-D353 PolarHBondContact O-N 3.25Å; N350-D353 PolarHBondContact OD1-N 3.05Å; D353-L355 VanDerWaalsContact C-N 3.35Å; D353-L355 PolarHBondContact O-N 3.47Å; D353-E356 PolarHBondContact O-N 2.62Å; D353-L357 HydrophobicContact CB-CD1 4.16Å; D353-L357 VanDerWaalsContact O-CB 3.28Å; D353-L357 WeakPolarHBondContact O-CB 3.29Å; D353-L357 WeakPolarHBondContact O-CD1 3.35Å; D353-L357 WeakPolarHBondContact O-CG 3.47Å; D353-L357 PolarHBondContact O-N 2.96Å
354F85.8Confident84.7Confident3 Ų346.6 Ų46.61%0.01324%0.24CC..Hα-helixtrans-60.1-46.6-178.9-179.4-109.6000111.2F274 F322 I340 N350 L351 G352 E356 L357 T358 I360 W385F274-F354 HydrophobicContact CB-CZ 4.36Å; F274-F354 HydrophobicContact CD1-CE1 4.41Å; F274-F354 HydrophobicContact CD1-CZ 4.08Å; F274-F354 HydrophobicContact CD2-CE1 4.35Å; F274-F354 AromaticContact CD2-CZ 3.87Å; F274-F354 HydrophobicContact CD2-CZ 3.87Å; F274-F354 HydrophobicContact CE1-CE1 4.18Å; F274-F354 HydrophobicContact CE1-CZ 4.3Å; F274-F354 HydrophobicContact CE2-CE1 4.12Å; F274-F354 HydrophobicContact CE2-CZ 4.11Å; F274-F354 HydrophobicContact CG-CE1 4.49Å; F274-F354 AromaticContact CG-CZ 3.86Å; F274-F354 HydrophobicContact CG-CZ 3.86Å; F274-F354 HydrophobicContact CZ-CE1 4.02Å; F274-F354 HydrophobicContact CZ-CZ 4.31Å; F322-F354 HydrophobicContact CE2-CB 3.86Å; F322-F354 HydrophobicContact CZ-CB 3.78Å; F322-F354 AromaticContact CZ-CD2 3.91Å; F322-F354 HydrophobicContact CZ-CD2 3.91Å; F322-F354 HydrophobicContact CZ-CG 4.31Å; I340-F354 HydrophobicContact CD1-CD2 3.72Å; I340-F354 HydrophobicContact CD1-CE2 4.27Å; N350-F354 WeakPolarHBondContact O-CB 3.27Å; N350-F354 PolarHBondContact O-N 3.31Å; L351-F354 PolarHBondContact O-N 3Å; G352-F354 PolarHBondContact O-N 3.09Å; F354-E356 VanDerWaalsContact C-N 3.35Å; F354-E356 PolarHBondContact O-N 3.49Å; F354-L357 PolarHBondContact O-N 2.65Å; F354-T358 HydrophobicContact CD2-CG2 3.9Å; F354-T358 HydrophobicContact CE2-CG2 3.68Å; F354-T358 HydrophobicContact CG-CG2 4.43Å; F354-T358 HydrophobicContact CZ-CG2 4.04Å; F354-T358 WeakPolarHBondContact O-CB 3.23Å; F354-T358 WeakPolarHBondContact O-CG2 3.07Å; F354-T358 PolarHBondContact O-N 2.95Å; F354-T358 VanDerWaalsContact O-N 3.16Å; F354-T358 PolarHBondContact O-OG1 2.99Å; F354-I360 HydrophobicContact CD1-CD1 4.38Å; F354-I360 HydrophobicContact CE1-CD1 3.64Å; F354-I360 HydrophobicContact CZ-CD1 4.19Å; F354-W385 HydrophobicContact CD1-CH2 4.01Å; F354-W385 HydrophobicContact CD1-CZ2 4.26Å; F354-W385 AromaticContact CE1-CH2 3.87Å; F354-W385 HydrophobicContact CE1-CH2 3.87Å; F354-W385 HydrophobicContact CE1-CZ2 4.26Å
355L85.3Confident85.2Confident14 Ų1445.5 Ų45.57%0.07323%0.232CC..Hα-helixtrans-66.3-37.1179.5-69.7166.8000112.8L351 G352 D353 I360 I365 V383 W385L351-L355 HydrophobicContact CD1-CD1 4.47Å; L351-L355 HydrophobicContact CD1-CG 4.48Å; L351-L355 HydrophobicContact CG-CD1 4.37Å; L351-L355 WeakPolarHBondContact O-CG 3.49Å; L351-L355 PolarHBondContact O-N 3.11Å; G352-L355 PolarHBondContact O-N 3.12Å; D353-L355 VanDerWaalsContact C-N 3.35Å; D353-L355 PolarHBondContact O-N 3.47Å; L355-I360 HydrophobicContact CD2-CG1 4.25Å; L355-I365 HydrophobicContact CD2-CD1 4.38Å; L355-V383 HydrophobicContact CD1-CB 4.27Å; L355-V383 HydrophobicContact CD1-CG1 3.51Å; L355-V383 HydrophobicContact CD1-CG2 3.65Å; L355-V383 HydrophobicContact CD2-CG1 4.18Å; L355-W385 HydrophobicContact CD2-CZ2 3.67Å; L355-W385 HydrophobicContact CG-CZ2 4.41Å
356E86.7Confident85.7Confident143 Ų14344.7 Ų44.767%0.66823%0.227SC*.Hα-helixtrans-71.2-38.4178.6-69.6-178.1179.300111.7G352 D353 F354G352-E356 PolarHBondContact O-N 3.41Å; D353-E356 PolarHBondContact O-N 2.62Å; F354-E356 VanDerWaalsContact C-N 3.35Å; F354-E356 PolarHBondContact O-N 3.49Å
357L89.4Confident86.1Confident32 Ų3245 Ų4517%0.16823%0.228CC..Hα-helixtrans-84.5-16.2-174.3-64.8169.2000114.3F322 V337 T338 I340 D353 F354F322-L357 HydrophobicContact CB-CD1 4.43Å; F322-L357 HydrophobicContact CD2-CD1 3.65Å; F322-L357 HydrophobicContact CE2-CD1 4.39Å; F322-L357 HydrophobicContact CG-CD1 4.36Å; V337-L357 HydrophobicContact CG1-CD1 4.2Å; T338-L357 VanDerWaalsContact C-CD2 3.4Å; T338-L357 WeakPolarHBondContact O-CD2 3.34Å; I340-L357 HydrophobicContact CB-CB 4.2Å; I340-L357 HydrophobicContact CD1-CB 3.91Å; I340-L357 HydrophobicContact CD1-CD1 4.21Å; I340-L357 HydrophobicContact CG1-CB 3.79Å; I340-L357 HydrophobicContact CG1-CD1 4.28Å; I340-L357 PolarHBondContact N-O 2.91Å; D353-L357 HydrophobicContact CB-CD1 4.16Å; D353-L357 VanDerWaalsContact O-CB 3.28Å; D353-L357 WeakPolarHBondContact O-CB 3.29Å; D353-L357 WeakPolarHBondContact O-CD1 3.35Å; D353-L357 WeakPolarHBondContact O-CG 3.47Å; D353-L357 PolarHBondContact O-N 2.96Å; F354-L357 PolarHBondContact O-N 2.65Å
358T85.6Confident86.6Confident18 Ų1844.3 Ų44.311%0.1122%0.223CC..Hα-helixtrans-105.8-8.8-175.254.40000114.7L304 I340 F354 I360L304-T358 HydrophobicContact CD2-CG2 3.73Å; I340-T358 HydrophobicContact CB-CG2 3.59Å; I340-T358 HydrophobicContact CD1-CG2 3.86Å; I340-T358 HydrophobicContact CG1-CG2 4.3Å; I340-T358 HydrophobicContact CG2-CG2 3.56Å; F354-T358 HydrophobicContact CD2-CG2 3.9Å; F354-T358 HydrophobicContact CE2-CG2 3.68Å; F354-T358 HydrophobicContact CG-CG2 4.43Å; F354-T358 HydrophobicContact CZ-CG2 4.04Å; F354-T358 WeakPolarHBondContact O-CB 3.23Å; F354-T358 WeakPolarHBondContact O-CG2 3.07Å; F354-T358 PolarHBondContact O-N 2.95Å; F354-T358 VanDerWaalsContact O-N 3.16Å; F354-T358 PolarHBondContact O-OG1 2.99Å; T358-I360 WeakPolarHBondContact O-CG2 3.48Å; T358-I360 PolarHBondContact O-N 3.29Å; T358-I360 VanDerWaalsContact O-N 3.08Å; T358-I360 VanDerWaalsContact OG1-CG1 3.29Å; T358-I360 WeakPolarHBondContact OG1-CG1 3.35Å
359D82.1Confident87.2Confident137 Ų13744.1 Ų44.173%0.73322%0.221SC*.SBendtrans54.521.4-175.4-161.832.3000114.8
360I87Confident87.8Confident2 Ų244.3 Ų44.31%0.0122%0.221CC..  trans-90.1-0.1177.970.8-174.9000113.1V79 L272 F274 F354 L355 T358 K362 K363 I365V79-I360 HydrophobicContact CG1-CD1 4.39Å; V79-I360 HydrophobicContact CG2-CB 4.24Å; V79-I360 HydrophobicContact CG2-CG2 4.19Å; L272-I360 HydrophobicContact CD1-CG2 4.42Å; F274-I360 HydrophobicContact CE1-CD1 4.36Å; F354-I360 HydrophobicContact CD1-CD1 4.38Å; F354-I360 HydrophobicContact CE1-CD1 3.64Å; F354-I360 HydrophobicContact CZ-CD1 4.19Å; L355-I360 HydrophobicContact CD2-CG1 4.25Å; T358-I360 WeakPolarHBondContact O-CG2 3.48Å; T358-I360 PolarHBondContact O-N 3.29Å; T358-I360 VanDerWaalsContact O-N 3.08Å; T358-I360 VanDerWaalsContact OG1-CG1 3.29Å; T358-I360 WeakPolarHBondContact OG1-CG1 3.35Å; I360-K362 PolarHBondContact O-N 3.22Å; I360-K363 HydrophobicContact CB-CD 4.25Å; I360-K363 HydrophobicContact CG2-CD 4.23Å; I360-K363 WeakPolarHBondContact O-CB 3.36Å; I360-K363 PolarHBondContact O-N 2.87Å; I360-I365 HydrophobicContact CB-CD1 4.43Å; I360-I365 HydrophobicContact CD1-CD1 3.94Å; I360-I365 HydrophobicContact CG1-CD1 3.87Å
361K83Confident88.1Confident143 Ų14344.3 Ų44.362%0.62222%0.22SC*.THydrogen-bonded Turntrans-54.9-27.3-171.9-173.8175179.8174.90114.2
362K84.8Confident87.9Confident203 Ų20343.4 Ų43.488%0.88322%0.216SC*.THydrogen-bonded Turntrans-97-0.1179.6-60.9-176.4-178.6174.90114.1I360I360-K362 PolarHBondContact O-N 3.22Å
363K89.4Confident87.6Confident87 Ų8744 Ų4438%0.37821%0.211SC..SBendtrans-91.5154.2-176.3-66.1-172.2-180-179.70111.2D78 V79 L272 I360 I365D78-K363 HydrophobicContact CB-CB 4.04Å; D78-K363 HydrophobicContact CB-CD 4.17Å; D78-K363 HydrophobicContact CB-CG 4.36Å; V79-K363 HydrophobicContact CG2-CB 3.87Å; V79-K363 HydrophobicContact CG2-CD 3.67Å; V79-K363 HydrophobicContact CG2-CG 4.42Å; L272-K363 VanDerWaalsContact CD1-NZ 3.35Å; I360-K363 HydrophobicContact CB-CD 4.25Å; I360-K363 HydrophobicContact CG2-CD 4.23Å; I360-K363 WeakPolarHBondContact O-CB 3.36Å; I360-K363 PolarHBondContact O-N 2.87Å; K363-I365 PolarHBondContact O-N 3.47Å
364G93.2Very high87.1Confident22 Ų2246.2 Ų46.223%0.22723%0.228CC..  trans-71.3117.6169.500000110.3E76 I77 D78 V79E76-G364 WeakPolarHBondContact O-CA 3.4Å; I77-G364 CarbonylContact C-O 3.5Å; D78-G364 PolarHBondContact N-O 3.44Å; D78-G364 PolarHBondContact OD2-N 3.39Å; D78-G364 VanDerWaalsContact OD2-N 3.14Å; V79-G364 PolarHBondContact N-O 3.26Å
365I93.6Very high86.3Confident7 Ų747.2 Ų47.24%0.03623%0.234CC..EExtended strand (participates in β ladder)trans-113.2129.5-177.4-61.7156.6000109.3V79 F274 L355 I360 K363 W385 R386V79-I365 HydrophobicContact CB-CG1 3.9Å; V79-I365 HydrophobicContact CG2-CG1 4.24Å; V79-I365 WeakPolarHBondContact O-CA 3.29Å; F274-I365 HydrophobicContact CE1-CG2 4.19Å; F274-I365 HydrophobicContact CZ-CG2 4.34Å; L355-I365 HydrophobicContact CD2-CD1 4.38Å; I360-I365 HydrophobicContact CB-CD1 4.43Å; I360-I365 HydrophobicContact CD1-CD1 3.94Å; I360-I365 HydrophobicContact CG1-CD1 3.87Å; K363-I365 PolarHBondContact O-N 3.47Å; I365-W385 HydrophobicContact CB-CD2 4.13Å; I365-W385 HydrophobicContact CB-CG 4.01Å; I365-W385 HydrophobicContact CD1-CD2 4.37Å; I365-W385 HydrophobicContact CD1-CZ2 3.9Å; I365-W385 HydrophobicContact CG2-CB 4.49Å; I365-W385 HydrophobicContact CG2-CD2 3.54Å; I365-W385 HydrophobicContact CG2-CE3 3.79Å; I365-W385 HydrophobicContact CG2-CG 3.88Å; I365-W385 HydrophobicContact CG2-CH2 4.45Å; I365-W385 HydrophobicContact CG2-CZ2 4.22Å; I365-W385 HydrophobicContact CG2-CZ3 4.26Å; I365-R386 WeakPolarHBondContact O-CB 3.35Å; I365-R386 PolarHBondContact O-N 2.93Å
366L95.3Very high85.9Confident0 Ų046.6 Ų46.60%023%0.231CC..EExtended strand (participates in β ladder)trans-116.4113.9169.5179.560.4000109.3L72 L74 I77 V79 Y80 G81 F368 R386L72-L366 HydrophobicContact CD2-CD1 4.12Å; L72-L366 HydrophobicContact CD2-CD2 3.99Å; L74-L366 HydrophobicContact CD2-CD2 3.88Å; I77-L366 HydrophobicContact CD1-CB 4.13Å; I77-L366 HydrophobicContact CG1-CB 4.17Å; I77-L366 HydrophobicContact CG2-CB 3.56Å; V79-L366 PolarHBondContact O-N 3Å; Y80-L366 WeakPolarHBondContact CA-O 3.28Å; Y80-L366 HydrophobicContact CD1-CD2 4.3Å; Y80-L366 HydrophobicContact CE1-CD2 3.88Å; G81-L366 PolarHBondContact N-O 2.96Å; L366-F368 HydrophobicContact CD1-CE2 4.38Å; L366-F368 HydrophobicContact CD1-CZ 4.44Å; L366-F368 HydrophobicContact CD2-CE2 3.48Å; L366-F368 VanDerWaalsContact CD2-CE2 3.48Å; L366-F368 HydrophobicContact CD2-CZ 3.58Å; L366-F368 HydrophobicContact CG-CD2 4.22Å; L366-F368 HydrophobicContact CG-CE2 3.5Å; L366-F368 HydrophobicContact CG-CZ 3.91Å; L366-R386 WeakPolarHBondContact CA-O 3.45Å; L366-R386 HydrophobicContact CB-CB 4.4Å; L366-R386 HydrophobicContact CD1-CB 3.72Å
367Y93.7Very high85.4Confident12 Ų1241.3 Ų41.35%0.04721%0.211CC..EExtended strand (participates in β ladder)trans-104.6133.8-179.6-173.8-100.7000111.2G81 F274 I276 D375 L376 W385 R386 A387 G388G81-Y367 CarbonylContact O-C 3.38Å; G81-Y367 WeakPolarHBondContact O-CA 3.41Å; F274-Y367 AromaticContact CE2-CD2 3.77Å; F274-Y367 HydrophobicContact CE2-CD2 3.77Å; F274-Y367 AromaticContact CE2-CE2 3.86Å; F274-Y367 HydrophobicContact CE2-CE2 3.86Å; F274-Y367 AromaticContact CZ-CD2 3.92Å; F274-Y367 HydrophobicContact CZ-CD2 3.92Å; F274-Y367 HydrophobicContact CZ-CE2 4.46Å; I276-Y367 HydrophobicContact CB-CE2 4.42Å; I276-Y367 HydrophobicContact CD1-CE2 4.22Å; Y367-D375 HydrophobicContact CE1-CB 4.08Å; Y367-D375 WeakPolarHBondContact CE1-O 3.3Å; Y367-L376 HydrophobicContact CD1-CD2 3.9Å; Y367-L376 HydrophobicContact CE1-CD2 4.41Å; Y367-W385 HydrophobicContact CD2-CE3 4.36Å; Y367-W385 AromaticContact CD2-CZ3 3.96Å; Y367-W385 HydrophobicContact CD2-CZ3 3.96Å; Y367-W385 HydrophobicContact CG-CE3 4.14Å; Y367-W385 HydrophobicContact CG-CZ3 4.18Å; Y367-R386 PolarHBondContact N-O 2.78Å; Y367-A387 WeakPolarHBondContact O-CA 3.47Å; Y367-G388 PolarHBondContact O-N 3.28Å
368F95.1Very high84.7Confident1 Ų143.8 Ų43.80%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-110.2134.8177.5-71.5-92.5000112Y80 G81 F82 D83 T87 L366 G388 I390 L490Y80-F368 HydrophobicContact CD1-CE2 4.18Å; G81-F368 PolarHBondContact O-N 2.95Å; F82-F368 CarbonylContact C-O 3.57Å; F82-F368 WeakPolarHBondContact CA-O 3.49Å; F82-F368 HydrophobicContact CD1-CB 3.68Å; F82-F368 AromaticContact CD1-CD2 3.96Å; F82-F368 HydrophobicContact CD1-CD2 3.96Å; F82-F368 HydrophobicContact CD1-CG 4.09Å; F82-F368 HydrophobicContact CE1-CB 4.01Å; F82-F368 AromaticContact CE1-CD2 3.43Å; F82-F368 HydrophobicContact CE1-CD2 3.43Å; F82-F368 VanDerWaalsContact CE1-CD2 3.43Å; F82-F368 HydrophobicContact CE1-CE2 4.12Å; F82-F368 AromaticContact CE1-CG 3.88Å; F82-F368 HydrophobicContact CE1-CG 3.88Å; F82-F368 HydrophobicContact CZ-CD2 4.05Å; F82-F368 HydrophobicContact CZ-CE2 4.47Å; D83-F368 PolarHBondContact N-O 2.82Å; T87-F368 HydrophobicContact CG2-CB 4.15Å; L366-F368 HydrophobicContact CD1-CE2 4.38Å; L366-F368 HydrophobicContact CD1-CZ 4.44Å; L366-F368 HydrophobicContact CD2-CE2 3.48Å; L366-F368 VanDerWaalsContact CD2-CE2 3.48Å; L366-F368 HydrophobicContact CD2-CZ 3.58Å; L366-F368 HydrophobicContact CG-CD2 4.22Å; L366-F368 HydrophobicContact CG-CE2 3.5Å; L366-F368 HydrophobicContact CG-CZ 3.91Å; F368-G388 WeakPolarHBondContact CA-O 3.27Å; F368-G388 WeakPolarHBondContact CD1-O 3.46Å; F368-I390 HydrophobicContact CD1-CD1 3.84Å; F368-I390 HydrophobicContact CD1-CG1 4.41Å; F368-L490 HydrophobicContact CE1-CD1 3.84Å; F368-L490 HydrophobicContact CE2-CD1 3.97Å; F368-L490 HydrophobicContact CZ-CD1 3.41Å; F368-L490 VanDerWaalsContact CZ-CD1 3.41Å; F368-L490 HydrophobicContact CZ-CD2 4.4Å; F368-L490 HydrophobicContact CZ-CG 4.49Å
369G93.4Very high84.2Confident0 Ų043.5 Ų43.50%022%0.221CC..EExtended strand (participates in β ladder)trans-151.4157.3175.100000111.5T87 G388 A389 I390T87-G369 WeakPolarHBondContact OG1-CA 3.31Å; G369-G388 PolarHBondContact N-O 2.85Å; G369-A389 WeakPolarHBondContact O-CA 3.3Å; G369-I390 PolarHBondContact O-N 3.08Å
370D92.9Very high84.1Confident7 Ų738.9 Ų38.94%0.03720%0.197CC..SBendtrans-91.5-29.6176.390.9-65.3000111.5Y86 T87 R129 V372 D375 I390Y86-D370 VanDerWaalsContact CB-CG 3.45Å; Y86-D370 WeakPolarHBondContact CB-OD2 3.37Å; T87-D370 PolarHBondContact OG1-N 3.06Å; R129-D370 PolarHBondContact NH1-O 2.81Å; R129-D370 IonicContact NH1-OD2 2.79Å; D370-V372 PolarHBondContact O-N 3.28Å; D370-D375 PolarHBondContact N-OD2 3.22Å; D370-I390 WeakPolarHBondContact CA-O 3.48Å; D370-I390 HydrophobicContact CB-CB 4.38Å
371H85.2Confident83.6Confident35 Ų3543 Ų4316%0.16223%0.231CC..  trans-91.890.7-179.6-164.7-63.4000110.3Y373 S374 D375H371-Y373 AromaticContact CE1-CD2 3.73Å; H371-Y373 AromaticContact ND1-CD2 3.99Å; H371-Y373 PolarHBondContact ND1-N 3.11Å; H371-Y373 PolarHBondContact O-N 3.11Å; H371-S374 WeakPolarHBondContact CB-OG 3.49Å; H371-S374 PolarHBondContact ND1-N 2.92Å; H371-S374 PolarHBondContact ND1-OG 3.16Å; H371-D375 WeakPolarHBondContact CB-OD2 3.2Å; H371-D375 PolarHBondContact N-OD2 3.38Å; H371-D375 VanDerWaalsContact N-OD2 3.13Å; H371-D375 VanDerWaalsContact O-CB 3.25Å; H371-D375 WeakPolarHBondContact O-CB 3.47Å; H371-D375 PolarHBondContact O-N 3.46Å
372V78.2Confident83.2Confident2 Ų243.9 Ų43.91%0.01223%0.231CC..THydrogen-bonded Turntrans-46-30.9-175.4-176.70000114D370 L376 F472 L476 L479D370-V372 PolarHBondContact O-N 3.28Å; V372-L376 WeakPolarHBondContact O-CB 3.45Å; V372-F472 HydrophobicContact CG2-CE2 3.96Å; V372-F472 HydrophobicContact CG2-CZ 4.02Å; V372-L476 HydrophobicContact CG1-CB 4.48Å; V372-L476 HydrophobicContact CG1-CD1 4.48Å; V372-L476 HydrophobicContact CG2-CD1 3.84Å; V372-L479 HydrophobicContact CG1-CB 4.09Å; V372-L479 HydrophobicContact CG1-CD1 3.88Å; V372-L479 WeakPolarHBondContact O-CD1 3.42Å
373Y75.6Confident82.9Confident33 Ų3336.7 Ų36.713%0.12920%0.204CC..THydrogen-bonded Turntrans-86.7-68.5-176.6-51.5-72.5000114.1H194 H371 D375 A377 R475 L479H194-Y373 HydrophobicContact CB-CD2 3.61Å; H194-Y373 HydrophobicContact CB-CE2 3.47Å; H194-Y373 VanDerWaalsContact CB-CE2 3.47Å; H194-Y373 AromaticContact CD2-CD2 3.37Å; H194-Y373 WeakPolarHBondContact CD2-CD2 3.4Å; H194-Y373 AromaticContact CD2-CE2 3.08Å; H194-Y373 WeakPolarHBondContact CD2-CE2 3.47Å; H194-Y373 AromaticContact CD2-CZ 3.75Å; H194-Y373 AromaticContact CE1-CE2 3.6Å; H194-Y373 AromaticContact CE1-CZ 3.73Å; H194-Y373 PolarHBondContact CE1-OH 2.96Å; H194-Y373 AromaticContact CG-CD2 3.53Å; H194-Y373 AromaticContact CG-CE2 3.03Å; H194-Y373 AromaticContact CG-CZ 3.94Å; H194-Y373 AromaticContact ND1-CE2 3.35Å; H194-Y373 WeakPolarHBondContact ND1-CE2 3.43Å; H194-Y373 AromaticContact ND1-CZ 3.9Å; H194-Y373 AromaticContact NE2-CE2 3.4Å; H194-Y373 WeakPolarHBondContact NE2-CE2 3.23Å; H194-Y373 AromaticContact NE2-CZ 3.57Å; H371-Y373 AromaticContact CE1-CD2 3.73Å; H371-Y373 AromaticContact ND1-CD2 3.99Å; H371-Y373 PolarHBondContact ND1-N 3.11Å; H371-Y373 PolarHBondContact O-N 3.11Å; Y373-D375 VanDerWaalsContact C-N 3.29Å; Y373-D375 PolarHBondContact O-N 3.03Å; Y373-A377 WeakPolarHBondContact O-CB 3Å; Y373-A377 PolarHBondContact O-N 2.96Å; Y373-A377 VanDerWaalsContact O-N 3.11Å; Y373-R475 VanDerWaalsContact CD1-NH1 3.32Å; Y373-R475 HydrophobicContact CE1-CB 3.75Å; Y373-R475 HydrophobicContact CE1-CG 4.11Å; Y373-R475 WeakPolarHBondContact OH-CB 3.35Å; Y373-R475 VanDerWaalsContact OH-CD 3.31Å; Y373-R475 WeakPolarHBondContact OH-CD 3.4Å; Y373-L479 HydrophobicContact CD1-CD1 4.32Å; Y373-L479 HydrophobicContact CE1-CD1 4.42Å
374S73.3Confident82.6Confident69 Ų6935.2 Ų35.248%0.48321%0.213SC..THydrogen-bonded Turntrans-56.8-43.4179.649.70000112.2H371H371-S374 WeakPolarHBondContact CB-OG 3.49Å; H371-S374 PolarHBondContact ND1-N 2.92Å; H371-S374 PolarHBondContact ND1-OG 3.16Å
375D70Confident82.5Confident24 Ų2434.8 Ų34.813%0.12821%0.205CC..THydrogen-bonded Turntrans-86.1-37.6-165.6-57.2-3.8000111.7Y367 D370 H371 Y373 P379Y367-D375 HydrophobicContact CE1-CB 4.08Å; Y367-D375 WeakPolarHBondContact CE1-O 3.3Å; D370-D375 PolarHBondContact N-OD2 3.22Å; H371-D375 WeakPolarHBondContact CB-OD2 3.2Å; H371-D375 PolarHBondContact N-OD2 3.38Å; H371-D375 VanDerWaalsContact N-OD2 3.13Å; H371-D375 VanDerWaalsContact O-CB 3.25Å; H371-D375 WeakPolarHBondContact O-CB 3.47Å; H371-D375 PolarHBondContact O-N 3.46Å; Y373-D375 VanDerWaalsContact C-N 3.29Å; Y373-D375 PolarHBondContact O-N 3.03Å; D375-P379 VanDerWaalsContact O-CD 3.29Å; D375-P379 WeakPolarHBondContact O-CD 3.16Å; D375-P379 VanDerWaalsContact O-CG 3.31Å; D375-P379 WeakPolarHBondContact O-CG 3.48Å
376L77Confident82.5Confident1 Ų137 Ų371%0.00521%0.213CC..THydrogen-bonded Turntrans-105.8-28.5-170.4-49.2-178.1000112.9Y367 V372 T380 A387 A389 A480Y367-L376 HydrophobicContact CD1-CD2 3.9Å; Y367-L376 HydrophobicContact CE1-CD2 4.41Å; V372-L376 WeakPolarHBondContact O-CB 3.45Å; L376-T380 WeakPolarHBondContact O-CB 3.47Å; L376-T380 PolarHBondContact O-N 3.28Å; L376-T380 PolarHBondContact O-OG1 3.37Å; L376-A387 HydrophobicContact CB-CB 4.29Å; L376-A387 HydrophobicContact CD1-CB 4.42Å; L376-A387 HydrophobicContact CD2-CB 4.21Å; L376-A389 HydrophobicContact CD1-CB 3.86Å; L376-A480 HydrophobicContact CD1-CB 4.12Å
377A75.3Confident82.5Confident32 Ų3237.1 Ų37.126%0.26421%0.213SC..Hα-helixtrans-68.5-46.5-173.300000112.3Y373 A381 L479Y373-A377 WeakPolarHBondContact O-CB 3Å; Y373-A377 PolarHBondContact O-N 2.96Å; Y373-A377 VanDerWaalsContact O-N 3.11Å; A377-A381 WeakPolarHBondContact O-CB 3.27Å; A377-A381 PolarHBondContact O-N 2.87Å; A377-L479 HydrophobicContact CB-CD1 4.11Å; A377-L479 HydrophobicContact CB-CD2 4.11Å
378E74.8Confident82.7Confident85 Ų8536.5 Ų36.540%0.39721%0.211SC..Hα-helixtrans-65.8-50-178-172.4-176.4-178.200112.2L351 T380 A381 R382L351-E378 HydrophobicContact CD2-CG 4.24Å; E378-T380 PolarHBondContact O-N 2.93Å; E378-A381 PolarHBondContact O-N 3.24Å; E378-R382 VanDerWaalsContact CG-CD 3.42Å; E378-R382 HydrophobicContact CG-CG 4.07Å; E378-R382 WeakPolarHBondContact O-CB 3.17Å; E378-R382 PolarHBondContact O-N 3.25Å; E378-R382 WeakPolarHBondContact OE1-CD 3.43Å; E378-R382 IonicContact OE1-CZ 2.8Å; E378-R382 IonicContact OE1-NE 3.54Å; E378-R382 IonicContact OE1-NH1 3Å; E378-R382 PolarHBondContact OE1-NH1 3.34Å
379P75.9Confident82.7Confident12 Ų1236.5 Ų36.58%0.07821%0.211CC..Hα-helixtrans-66-38.4-178.8-21.635.1000113.5L351 D375 V383 G384 W385L351-P379 HydrophobicContact CD2-CB 4.27Å; L351-P379 HydrophobicContact CD2-CG 4.32Å; D375-P379 VanDerWaalsContact O-CD 3.29Å; D375-P379 WeakPolarHBondContact O-CD 3.16Å; D375-P379 VanDerWaalsContact O-CG 3.31Å; D375-P379 WeakPolarHBondContact O-CG 3.48Å; P379-V383 PolarHBondContact O-N 3.26Å; P379-G384 PolarHBondContact O-N 2.77Å; P379-W385 HydrophobicContact CB-CB 4.13Å; P379-W385 HydrophobicContact CB-CD2 3.85Å; P379-W385 HydrophobicContact CB-CE3 3.43Å; P379-W385 VanDerWaalsContact CB-CE3 3.43Å; P379-W385 HydrophobicContact CB-CG 4.17Å; P379-W385 HydrophobicContact CB-CZ3 4.09Å; P379-W385 HydrophobicContact CG-CE3 4.22Å; P379-W385 HydrophobicContact CG-CZ3 4.47Å; P379-W385 PolarHBondContact O-N 3.28Å
380T78.9Confident82.9Confident39 Ų3936.5 Ų36.524%0.23921%0.211CC..Hα-helixtrans-66.2-47.6176.2-59.50000110.9L376 E378 G384L376-T380 WeakPolarHBondContact O-CB 3.47Å; L376-T380 PolarHBondContact O-N 3.28Å; L376-T380 PolarHBondContact O-OG1 3.37Å; E378-T380 PolarHBondContact O-N 2.93Å; T380-G384 VanDerWaalsContact O-CA 3.32Å; T380-G384 WeakPolarHBondContact O-CA 3.34Å; T380-G384 PolarHBondContact O-N 3.3Å; T380-G384 VanDerWaalsContact O-N 3.13Å
381A77.1Confident83Confident88 Ų8836.1 Ų36.173%0.72721%0.209SC*.Hα-helixtrans-75.3-39.1-174.200000113.8A377 E378A377-A381 WeakPolarHBondContact O-CB 3.27Å; A377-A381 PolarHBondContact O-N 2.87Å; E378-A381 PolarHBondContact O-N 3.24Å
382R75Confident83.5Confident163 Ų16335.7 Ų35.762%0.61521%0.209SC*.Hα-helixtrans-86.3-30.7-174.4-66.9-175.668-171.90.1113.6E378E378-R382 VanDerWaalsContact CG-CD 3.42Å; E378-R382 HydrophobicContact CG-CG 4.07Å; E378-R382 WeakPolarHBondContact O-CB 3.17Å; E378-R382 PolarHBondContact O-N 3.25Å; E378-R382 WeakPolarHBondContact OE1-CD 3.43Å; E378-R382 IonicContact OE1-CZ 2.8Å; E378-R382 IonicContact OE1-NE 3.54Å; E378-R382 IonicContact OE1-NH1 3Å; E378-R382 PolarHBondContact OE1-NH1 3.34Å
383V77.6Confident84.3Confident52 Ų5237.6 Ų37.632%0.31522%0.218SC..Hα-helixtrans-125.4-16.6-167.8-163.20000112.2L351 L355 P379 W385L351-V383 HydrophobicContact CD2-CG2 3.63Å; L351-V383 HydrophobicContact CG-CG2 4.06Å; L355-V383 HydrophobicContact CD1-CB 4.27Å; L355-V383 HydrophobicContact CD1-CG1 3.51Å; L355-V383 HydrophobicContact CD1-CG2 3.65Å; L355-V383 HydrophobicContact CD2-CG1 4.18Å; P379-V383 PolarHBondContact O-N 3.26Å; V383-W385 HydrophobicContact CB-CG 4.42Å; V383-W385 VanDerWaalsContact CG1-NE1 3.33Å
384G83.4Confident85.3Confident55 Ų5536.4 Ų36.457%0.56721%0.214SC*.  trans74.426.9-176.400000113.1P379 T380P379-G384 PolarHBondContact O-N 2.77Å; T380-G384 VanDerWaalsContact O-CA 3.32Å; T380-G384 WeakPolarHBondContact O-CA 3.34Å; T380-G384 PolarHBondContact O-N 3.3Å; T380-G384 VanDerWaalsContact O-N 3.13Å
385W90.4Very high86.4Confident13 Ų1334.6 Ų34.65%0.04920%0.2CC..  trans-61145.9171.3-72.17.5000110.4F274 L351 F354 L355 I365 Y367 P379 V383F274-W385 HydrophobicContact CE1-CH2 4.42Å; F274-W385 HydrophobicContact CE2-CH2 4.22Å; F274-W385 HydrophobicContact CE2-CZ3 4.21Å; F274-W385 AromaticContact CZ-CH2 3.58Å; F274-W385 HydrophobicContact CZ-CH2 3.58Å; F274-W385 HydrophobicContact CZ-CZ2 4.49Å; F274-W385 AromaticContact CZ-CZ3 3.62Å; F274-W385 HydrophobicContact CZ-CZ3 3.62Å; L351-W385 HydrophobicContact CD1-CH2 3.5Å; L351-W385 HydrophobicContact CD1-CZ2 3.65Å; L351-W385 HydrophobicContact CD1-CZ3 4.09Å; F354-W385 HydrophobicContact CD1-CH2 4.01Å; F354-W385 HydrophobicContact CD1-CZ2 4.26Å; F354-W385 AromaticContact CE1-CH2 3.87Å; F354-W385 HydrophobicContact CE1-CH2 3.87Å; F354-W385 HydrophobicContact CE1-CZ2 4.26Å; L355-W385 HydrophobicContact CD2-CZ2 3.67Å; L355-W385 HydrophobicContact CG-CZ2 4.41Å; I365-W385 HydrophobicContact CB-CD2 4.13Å; I365-W385 HydrophobicContact CB-CG 4.01Å; I365-W385 HydrophobicContact CD1-CD2 4.37Å; I365-W385 HydrophobicContact CD1-CZ2 3.9Å; I365-W385 HydrophobicContact CG2-CB 4.49Å; I365-W385 HydrophobicContact CG2-CD2 3.54Å; I365-W385 HydrophobicContact CG2-CE3 3.79Å; I365-W385 HydrophobicContact CG2-CG 3.88Å; I365-W385 HydrophobicContact CG2-CH2 4.45Å; I365-W385 HydrophobicContact CG2-CZ2 4.22Å; I365-W385 HydrophobicContact CG2-CZ3 4.26Å; Y367-W385 HydrophobicContact CD2-CE3 4.36Å; Y367-W385 AromaticContact CD2-CZ3 3.96Å; Y367-W385 HydrophobicContact CD2-CZ3 3.96Å; Y367-W385 HydrophobicContact CG-CE3 4.14Å; Y367-W385 HydrophobicContact CG-CZ3 4.18Å; P379-W385 HydrophobicContact CB-CB 4.13Å; P379-W385 HydrophobicContact CB-CD2 3.85Å; P379-W385 HydrophobicContact CB-CE3 3.43Å; P379-W385 VanDerWaalsContact CB-CE3 3.43Å; P379-W385 HydrophobicContact CB-CG 4.17Å; P379-W385 HydrophobicContact CB-CZ3 4.09Å; P379-W385 HydrophobicContact CG-CE3 4.22Å; P379-W385 HydrophobicContact CG-CZ3 4.47Å; P379-W385 PolarHBondContact O-N 3.28Å; V383-W385 HydrophobicContact CB-CG 4.42Å; V383-W385 VanDerWaalsContact CG1-NE1 3.33Å
386R95Very high87.6Confident55 Ų5538 Ų3821%0.20821%0.213CC..EExtended strand (participates in β ladder)trans-74.3146.2168.2-52.7-54.4-57.8-87.23.8108.6E71 L72 I77 I365 L366 Y367 D481E71-R386 PolarHBondContact O-NH1 2.87Å; E71-R386 PolarHBondContact O-NH2 2.79Å; L72-R386 HydrophobicContact CD1-CB 4.01Å; L72-R386 HydrophobicContact CD1-CG 4.03Å; I77-R386 HydrophobicContact CD1-CB 4.32Å; I77-R386 HydrophobicContact CD1-CG 3.89Å; I365-R386 WeakPolarHBondContact O-CB 3.35Å; I365-R386 PolarHBondContact O-N 2.93Å; L366-R386 WeakPolarHBondContact CA-O 3.45Å; L366-R386 HydrophobicContact CB-CB 4.4Å; L366-R386 HydrophobicContact CD1-CB 3.72Å; Y367-R386 PolarHBondContact N-O 2.78Å; R386-D481 WeakPolarHBondContact CA-OD2 3.42Å; R386-D481 WeakPolarHBondContact CB-OD2 3.25Å; R386-D481 IonicContact CZ-OD1 3.96Å; R386-D481 IonicContact CZ-OD2 3.86Å; R386-D481 VanDerWaalsContact NE-CG 3.26Å; R386-D481 IonicContact NE-OD1 3.37Å; R386-D481 PolarHBondContact NE-OD1 2.91Å; R386-D481 IonicContact NE-OD2 3.64Å; R386-D481 PolarHBondContact NE-OD2 3.11Å; R386-D481 IonicContact NH2-OD1 3.09Å; R386-D481 PolarHBondContact NH2-OD1 3.16Å; R386-D481 IonicContact NH2-OD2 3.91Å; R386-D481 PolarHBondContact NH2-OD2 2.78Å
387A95.2Very high88.5Confident1 Ų138.6 Ų38.61%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-127.2133-171.900000112.9Y367 L376 L479 D481 V482Y367-A387 WeakPolarHBondContact O-CA 3.47Å; L376-A387 HydrophobicContact CB-CB 4.29Å; L376-A387 HydrophobicContact CD1-CB 4.42Å; L376-A387 HydrophobicContact CD2-CB 4.21Å; A387-L479 WeakPolarHBondContact CB-O 3.38Å; A387-D481 PolarHBondContact N-OD2 2.68Å; A387-D481 WeakPolarHBondContact O-CB 3.33Å; A387-D481 PolarHBondContact O-N 3.25Å; A387-V482 PolarHBondContact O-N 2.9Å
388G96.6Very high89.6Confident0 Ų037.2 Ų37.20%021%0.205CC..EExtended strand (participates in β ladder)trans-118.2116.2174.800000111.6Y367 F368 G369 V482Y367-G388 PolarHBondContact O-N 3.28Å; F368-G388 WeakPolarHBondContact CA-O 3.27Å; F368-G388 WeakPolarHBondContact CD1-O 3.46Å; G369-G388 PolarHBondContact N-O 2.85Å; G388-V482 CarbonylContact C-O 3.42Å; G388-V482 VanDerWaalsContact CA-O 3.3Å; G388-V482 WeakPolarHBondContact CA-O 3.35Å
389A96.8Very high90.7Very high0 Ų041.2 Ų41.20%022%0.216CC..EExtended strand (participates in β ladder)trans-89.9133.7178.700000112.5G369 L376 V391 L476 A480 V482 Y483 T484G369-A389 WeakPolarHBondContact O-CA 3.3Å; L376-A389 HydrophobicContact CD1-CB 3.86Å; A389-V391 HydrophobicContact CB-CG2 4.43Å; A389-L476 HydrophobicContact CB-CD1 3.25Å; A389-A480 HydrophobicContact CB-CB 3.67Å; A389-V482 PolarHBondContact N-O 3.18Å; A389-Y483 CarbonylContact O-C 3.5Å; A389-Y483 WeakPolarHBondContact O-CA 3.45Å; A389-T484 PolarHBondContact O-N 2.59Å
390I96.7Very high91.7Very high0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-96.5118.9170.8-55.2-52.9000109.3T87 F368 G369 D370 P392 T484 V487T87-I390 HydrophobicContact CG2-CG1 3.99Å; F368-I390 HydrophobicContact CD1-CD1 3.84Å; F368-I390 HydrophobicContact CD1-CG1 4.41Å; G369-I390 PolarHBondContact O-N 3.08Å; D370-I390 WeakPolarHBondContact CA-O 3.48Å; D370-I390 HydrophobicContact CB-CB 4.38Å; I390-P392 HydrophobicContact CG2-CG 4.4Å; I390-T484 WeakPolarHBondContact CA-O 3.42Å; I390-T484 HydrophobicContact CD1-CG2 3.84Å; I390-V487 HydrophobicContact CD1-CG2 3.61Å; I390-V487 HydrophobicContact CG1-CG2 3.9Å
391V96.1Very high92.5Very high0 Ų044 Ų440%023%0.227CC..  trans-127.285.1-178.2-172.80000109.3A389 E393 L394 L462 F463 F472 L476 T484 S485A389-V391 HydrophobicContact CB-CG2 4.43Å; V391-E393 WeakPolarHBondContact CG1-OE2 3.28Å; V391-E393 PolarHBondContact O-N 2.86Å; V391-E393 VanDerWaalsContact O-N 3.1Å; V391-L394 HydrophobicContact CB-CB 4.37Å; V391-L394 HydrophobicContact CG1-CB 4.42Å; V391-L394 WeakPolarHBondContact O-CB 3.45Å; V391-L394 PolarHBondContact O-N 3.22Å; V391-L462 HydrophobicContact CG1-CD2 3.75Å; V391-F463 HydrophobicContact CB-CZ 4.42Å; V391-F463 HydrophobicContact CG1-CE1 4.27Å; V391-F463 HydrophobicContact CG1-CZ 3.62Å; V391-F472 HydrophobicContact CG1-CE1 4.48Å; V391-F472 HydrophobicContact CG1-CZ 4.45Å; V391-F472 HydrophobicContact CG2-CZ 4.28Å; V391-L476 HydrophobicContact CG2-CD1 4.35Å; V391-L476 HydrophobicContact CG2-CD2 4.39Å; V391-T484 PolarHBondContact N-O 3.33Å; V391-S485 WeakPolarHBondContact O-CA 3.3Å
392P94.6Very high93.4Very high25 Ų2541.3 Ų41.316%0.16220%0.2CC..THydrogen-bonded Turntrans-55.9-29.8-173.6-27.536.2000114.5I90 L196 I390 L394I90-P392 HydrophobicContact CG2-CB 4.34Å; I90-P392 HydrophobicContact CG2-CG 4.45Å; L196-P392 HydrophobicContact CD1-CG 4.13Å; I390-P392 HydrophobicContact CG2-CG 4.4Å; P392-L394 PolarHBondContact O-N 3.13Å
393E94.7Very high94.4Very high42 Ų4235.5 Ų35.520%0.19618%0.184CC..THydrogen-bonded Turntrans-65.3-24.9179.1-55.496.8132.200112.8R129 L196 V391 T395 K396 E397 L462R129-E393 VanDerWaalsContact CB-OE1 3.29Å; R129-E393 WeakPolarHBondContact CB-OE1 3.28Å; R129-E393 VanDerWaalsContact CD-OE1 3.3Å; R129-E393 WeakPolarHBondContact CD-OE1 3.37Å; R129-E393 IonicContact CZ-OE1 2.66Å; R129-E393 IonicContact NE-OE1 3.42Å; R129-E393 PolarHBondContact NE-OE1 2.72Å; R129-E393 VanDerWaalsContact NE-OE1 3.14Å; R129-E393 IonicContact NE-OE2 3.34Å; R129-E393 IonicContact NH2-OE2 3.93Å; L196-E393 WeakPolarHBondContact CD2-OE1 3.39Å; V391-E393 WeakPolarHBondContact CG1-OE2 3.28Å; V391-E393 PolarHBondContact O-N 2.86Å; V391-E393 VanDerWaalsContact O-N 3.1Å; E393-T395 PolarHBondContact O-N 3.1Å; E393-T395 VanDerWaalsContact O-N 3.16Å; E393-K396 PolarHBondContact O-N 2.7Å; E393-E397 PolarHBondContact O-N 3.11Å; E393-E397 VanDerWaalsContact O-N 3.12Å; E393-L462 HydrophobicContact CB-CD2 4.28Å; E393-L462 HydrophobicContact CG-CD2 4.49Å
394L96.5Very high95.1Very high9 Ų937.1 Ų37.15%0.04719%0.191CC..Hα-helixtrans-55.2-37.4-176.2-177.965.4000112.5F67 V391 P392 K396 E397 I398 F463 Y483F67-L394 HydrophobicContact CD2-CD2 3.83Å; F67-L394 HydrophobicContact CE2-CD2 3.79Å; F67-L394 HydrophobicContact CE2-CG 4.49Å; V391-L394 HydrophobicContact CB-CB 4.37Å; V391-L394 HydrophobicContact CG1-CB 4.42Å; V391-L394 WeakPolarHBondContact O-CB 3.45Å; V391-L394 PolarHBondContact O-N 3.22Å; P392-L394 PolarHBondContact O-N 3.13Å; L394-K396 PolarHBondContact O-N 3.02Å; L394-E397 PolarHBondContact O-N 2.85Å; L394-I398 HydrophobicContact CD1-CD1 3.87Å; L394-I398 HydrophobicContact CD1-CG1 4.07Å; L394-I398 HydrophobicContact CD2-CD1 4.3Å; L394-I398 HydrophobicContact CG-CD1 3.68Å; L394-I398 HydrophobicContact CG-CG1 4.28Å; L394-I398 WeakPolarHBondContact O-CB 3.37Å; L394-I398 VanDerWaalsContact O-CG1 3.31Å; L394-I398 WeakPolarHBondContact O-CG1 3.17Å; L394-I398 PolarHBondContact O-N 2.74Å; L394-F463 HydrophobicContact CB-CZ 4.32Å; L394-F463 HydrophobicContact CD1-CE2 3.81Å; L394-F463 HydrophobicContact CD1-CZ 3.78Å; L394-Y483 HydrophobicContact CD1-CE2 4.09Å; L394-Y483 HydrophobicContact CD2-CD2 3.8Å; L394-Y483 HydrophobicContact CD2-CE2 3.85Å
395T95.9Very high95.6Very high31 Ų3139.3 Ų39.319%0.1919%0.185CC..Hα-helixtrans-63.6-40.5177.6-68.30000112.3P63 E393 R399 S485P63-T395 HydrophobicContact CB-CG2 4Å; P63-T395 PolarHBondContact O-OG1 3.34Å; E393-T395 PolarHBondContact O-N 3.1Å; E393-T395 VanDerWaalsContact O-N 3.16Å; T395-R399 WeakPolarHBondContact O-CB 3.48Å; T395-R399 VanDerWaalsContact O-CG 3.23Å; T395-R399 WeakPolarHBondContact O-CG 3.27Å; T395-R399 PolarHBondContact O-N 3.03Å; T395-S485 WeakPolarHBondContact OG1-CB 3.15Å; T395-S485 PolarHBondContact OG1-OG 3.38Å
396K95.8Very high95.9Very high94 Ų9439.6 Ų39.641%0.40919%0.187SC..Hα-helixtrans-65.9-46.7176.7-177.2-176174.3-169.30109.2E125 E393 L394 R399 L400E125-K396 IonicContact OE2-NZ 3.23Å; E125-K396 PolarHBondContact OE2-NZ 2.87Å; E393-K396 PolarHBondContact O-N 2.7Å; L394-K396 PolarHBondContact O-N 3.02Å; K396-R399 PolarHBondContact O-N 2.69Å; K396-L400 HydrophobicContact CG-CD1 3.99Å; K396-L400 WeakPolarHBondContact O-CG 3.33Å; K396-L400 PolarHBondContact O-N 2.78Å
397E97.2Very high95.8Very high14 Ų1439.8 Ų39.87%0.06519%0.187CC..Hα-helixtrans-60.2-48.2-179.6-69.7-137.9-163.700113E393 L394 R399 L400 Q401 F455 S461 L462 F463E393-E397 PolarHBondContact O-N 3.11Å; E393-E397 VanDerWaalsContact O-N 3.12Å; L394-E397 PolarHBondContact O-N 2.85Å; E397-R399 VanDerWaalsContact C-N 3.3Å; E397-R399 PolarHBondContact O-N 3.1Å; E397-L400 PolarHBondContact O-N 2.93Å; E397-Q401 WeakPolarHBondContact O-CB 3.25Å; E397-Q401 VanDerWaalsContact O-CG 3.23Å; E397-Q401 WeakPolarHBondContact O-CG 3.47Å; E397-Q401 PolarHBondContact O-N 2.97Å; E397-F455 HydrophobicContact CB-CD1 4.3Å; E397-F455 HydrophobicContact CB-CE1 3.97Å; E397-F455 HydrophobicContact CG-CD1 3.87Å; E397-F455 HydrophobicContact CG-CE1 4.01Å; E397-F455 VanDerWaalsContact OE2-CE1 3.29Å; E397-F455 WeakPolarHBondContact OE2-CE1 3.33Å; E397-S461 WeakPolarHBondContact OE1-CA 3.44Å; E397-S461 PolarHBondContact OE1-OG 3.45Å; E397-S461 WeakPolarHBondContact OE2-CB 3.28Å; E397-S461 PolarHBondContact OE2-OG 3.37Å; E397-L462 VanDerWaalsContact OE1-CB 3.27Å; E397-L462 WeakPolarHBondContact OE1-CB 3.34Å; E397-L462 PolarHBondContact OE1-N 3.15Å; E397-F463 HydrophobicContact CG-CD2 4.46Å; E397-F463 HydrophobicContact CG-CE2 4.37Å; E397-F463 WeakPolarHBondContact OE2-CD2 3.36Å
398I97.7Very high95.6Very high4 Ų443.8 Ų43.82%0.02120%0.203CC..Hα-helixtrans-61.2-41.6178.5-68.7169000110.9V61 P63 F67 L394 L400 Q401 N402V61-I398 HydrophobicContact CB-CG2 3.88Å; V61-I398 HydrophobicContact CG1-CD1 4.37Å; V61-I398 HydrophobicContact CG1-CG2 3.91Å; V61-I398 WeakPolarHBondContact O-CG2 3.47Å; P63-I398 HydrophobicContact CB-CB 4.35Å; P63-I398 HydrophobicContact CB-CG2 4.15Å; P63-I398 HydrophobicContact CG-CB 4.49Å; P63-I398 HydrophobicContact CG-CG2 3.88Å; F67-I398 HydrophobicContact CE2-CD1 3.63Å; F67-I398 HydrophobicContact CZ-CD1 3.53Å; L394-I398 HydrophobicContact CD1-CD1 3.87Å; L394-I398 HydrophobicContact CD1-CG1 4.07Å; L394-I398 HydrophobicContact CD2-CD1 4.3Å; L394-I398 HydrophobicContact CG-CD1 3.68Å; L394-I398 HydrophobicContact CG-CG1 4.28Å; L394-I398 WeakPolarHBondContact O-CB 3.37Å; L394-I398 VanDerWaalsContact O-CG1 3.31Å; L394-I398 WeakPolarHBondContact O-CG1 3.17Å; L394-I398 PolarHBondContact O-N 2.74Å; I398-L400 VanDerWaalsContact C-N 3.34Å; I398-L400 PolarHBondContact O-N 2.84Å; I398-Q401 PolarHBondContact O-N 3.44Å; I398-N402 WeakPolarHBondContact O-CB 3.21Å; I398-N402 PolarHBondContact O-N 3.13Å; I398-N402 PolarHBondContact O-ND2 2.98Å
399R97.5Very high95.5Very high169 Ų16947.5 Ų47.564%0.63822%0.217SC*.Hα-helixtrans-61.8-42.6178-75.3174-179.9-177.71.2111.9P63 T395 K396 E397 N402P63-R399 HydrophobicContact CG-CG 3.97Å; T395-R399 WeakPolarHBondContact O-CB 3.48Å; T395-R399 VanDerWaalsContact O-CG 3.23Å; T395-R399 WeakPolarHBondContact O-CG 3.27Å; T395-R399 PolarHBondContact O-N 3.03Å; K396-R399 PolarHBondContact O-N 2.69Å; E397-R399 VanDerWaalsContact C-N 3.3Å; E397-R399 PolarHBondContact O-N 3.1Å; R399-N402 PolarHBondContact O-N 3.17Å
400L97.1Very high95.4Very high50 Ų5051.1 Ų51.126%0.26224%0.236SC..Hα-helixtrans-65.8-43.9176.4-69.9170.4000111.6K396 E397 I398 N402 S403 V454 F455K396-L400 HydrophobicContact CG-CD1 3.99Å; K396-L400 WeakPolarHBondContact O-CG 3.33Å; K396-L400 PolarHBondContact O-N 2.78Å; E397-L400 PolarHBondContact O-N 2.93Å; I398-L400 VanDerWaalsContact C-N 3.34Å; I398-L400 PolarHBondContact O-N 2.84Å; L400-N402 PolarHBondContact O-N 2.65Å; L400-S403 VanDerWaalsContact O-CB 3.27Å; L400-S403 WeakPolarHBondContact O-CB 3.42Å; L400-S403 PolarHBondContact O-N 3.46Å; L400-S403 PolarHBondContact O-OG 2.66Å; L400-V454 HydrophobicContact CB-CG1 3.96Å; L400-V454 WeakPolarHBondContact CD1-O 3.12Å; L400-V454 HydrophobicContact CD2-CG1 4.26Å; L400-F455 HydrophobicContact CB-CE1 4.41Å; L400-F455 HydrophobicContact CD1-CD1 4Å
401Q96.1Very high95.1Very high60 Ų6052 Ų5228%0.2824%0.242SC..Hα-helixtrans-64-29.9176.5-71.2172.4-7.200112.7E397 I398 S403 F406 R407 F455E397-Q401 WeakPolarHBondContact O-CB 3.25Å; E397-Q401 VanDerWaalsContact O-CG 3.23Å; E397-Q401 WeakPolarHBondContact O-CG 3.47Å; E397-Q401 PolarHBondContact O-N 2.97Å; I398-Q401 PolarHBondContact O-N 3.44Å; Q401-S403 PolarHBondContact O-N 2.95Å; Q401-F406 HydrophobicContact CB-CD1 3.97Å; Q401-F406 HydrophobicContact CB-CE1 3.98Å; Q401-F406 HydrophobicContact CG-CD1 4.1Å; Q401-F406 HydrophobicContact CG-CE1 3.69Å; Q401-F406 HydrophobicContact CG-CE2 4.47Å; Q401-F406 HydrophobicContact CG-CZ 3.9Å; Q401-F406 WeakPolarHBondContact O-CD1 3Å; Q401-R407 WeakPolarHBondContact O-CG 3.44Å; Q401-F455 HydrophobicContact CG-CE1 3.9Å; Q401-F455 HydrophobicContact CG-CZ 3.65Å
402N96Very high95Very high30 Ų3052.3 Ų52.316%0.1624%0.243CC..THydrogen-bonded Turntrans-75.7-3.5174.3-75.8-26.5000113.4P60 V61 I398 R399 L400 R407P60-N402 WeakPolarHBondContact CA-OD1 3.23Å; P60-N402 HydrophobicContact CB-CB 4.01Å; P60-N402 VanDerWaalsContact CB-CG 3.44Å; P60-N402 WeakPolarHBondContact CB-OD1 3.42Å; V61-N402 PolarHBondContact N-OD1 3.45Å; V61-N402 PolarHBondContact O-ND2 2.9Å; I398-N402 WeakPolarHBondContact O-CB 3.21Å; I398-N402 PolarHBondContact O-N 3.13Å; I398-N402 PolarHBondContact O-ND2 2.98Å; R399-N402 PolarHBondContact O-N 3.17Å; L400-N402 PolarHBondContact O-N 2.65Å; N402-R407 PolarHBondContact O-NE 3.42Å; N402-R407 PolarHBondContact O-NH2 3.41Å
403S95.2Very high95Very high42 Ų4252.2 Ų52.229%0.29424%0.242SC..SBendtrans-65.1147.7172.867.60000111L400 Q401 F405 F406 R407L400-S403 VanDerWaalsContact O-CB 3.27Å; L400-S403 WeakPolarHBondContact O-CB 3.42Å; L400-S403 PolarHBondContact O-N 3.46Å; L400-S403 PolarHBondContact O-OG 2.66Å; Q401-S403 PolarHBondContact O-N 2.95Å; S403-F405 PolarHBondContact O-N 3.1Å; S403-F406 PolarHBondContact O-N 3.36Å; S403-F406 WeakPolarHBondContact OG-CB 3.11Å; S403-F406 PolarHBondContact OG-N 3.17Å; S403-F406 VanDerWaalsContact OG-N 3.1Å; S403-R407 WeakPolarHBondContact O-CG 3.5Å; S403-R407 PolarHBondContact O-N 3.45Å; S403-R407 VanDerWaalsContact O-N 3.14Å; S403-R407 PolarHBondContact O-NE 3.09Å; S403-R407 VanDerWaalsContact O-NE 3.17Å
404D93.3Very high94.8Very high86 Ų8653.2 Ų53.246%0.4625%0.253SS..Hα-helixtrans-62.7-37.7174.6-78.33.7000111L57 R407 R408L57-D404 HydrophobicContact CD1-CB 4.33Å; L57-D404 WeakPolarHBondContact CD1-OD1 3.3Å; D404-R407 PolarHBondContact O-N 3.14Å; D404-R407 IonicContact OD1-CZ 2.58Å; D404-R407 IonicContact OD1-NE 3.49Å; D404-R407 IonicContact OD1-NH2 3.09Å; D404-R407 PolarHBondContact OD1-NH2 3.45Å; D404-R408 WeakPolarHBondContact O-CB 3.27Å; D404-R408 VanDerWaalsContact O-CG 3.23Å; D404-R408 WeakPolarHBondContact O-CG 3.22Å; D404-R408 PolarHBondContact O-N 3.35Å
405F94.2Very high94.5Very high101 Ų10152.8 Ų52.844%0.44325%0.251SS..Hα-helixtrans-54.3-57.4174.6177.9-94.7000111.4S403 R407 R408 R409 V454S403-F405 PolarHBondContact O-N 3.1Å; F405-R407 PolarHBondContact O-N 3.31Å; F405-R408 PolarHBondContact O-N 3.24Å; F405-R409 HydrophobicContact CD1-CG 4.43Å; F405-R409 HydrophobicContact CD2-CG 4.26Å; F405-R409 HydrophobicContact CE1-CG 4.15Å; F405-R409 HydrophobicContact CE2-CG 3.98Å; F405-R409 HydrophobicContact CG-CG 4.48Å; F405-R409 HydrophobicContact CZ-CG 3.91Å; F405-R409 WeakPolarHBondContact O-CB 3.25Å; F405-R409 VanDerWaalsContact O-CG 3.23Å; F405-R409 WeakPolarHBondContact O-CG 3.4Å; F405-R409 PolarHBondContact O-N 2.91Å; F405-V454 HydrophobicContact CD1-CG2 3.92Å; F405-V454 HydrophobicContact CE1-CG2 3.67Å
406F95.2Very high94.3Very high18 Ų1851.3 Ų51.38%0.07924%0.242CC..Hα-helixtrans-60.6-45.9-178-175.2-88.1000111.7Q401 S403 R408 R409 L410 L451 V454 F455Q401-F406 HydrophobicContact CB-CD1 3.97Å; Q401-F406 HydrophobicContact CB-CE1 3.98Å; Q401-F406 HydrophobicContact CG-CD1 4.1Å; Q401-F406 HydrophobicContact CG-CE1 3.69Å; Q401-F406 HydrophobicContact CG-CE2 4.47Å; Q401-F406 HydrophobicContact CG-CZ 3.9Å; Q401-F406 WeakPolarHBondContact O-CD1 3Å; S403-F406 PolarHBondContact O-N 3.36Å; S403-F406 WeakPolarHBondContact OG-CB 3.11Å; S403-F406 PolarHBondContact OG-N 3.17Å; S403-F406 VanDerWaalsContact OG-N 3.1Å; F406-R408 PolarHBondContact O-N 3.47Å; F406-R409 PolarHBondContact O-N 3.45Å; F406-L410 HydrophobicContact CE1-CB 4.45Å; F406-L410 HydrophobicContact CE1-CD2 3.89Å; F406-L410 VanDerWaalsContact O-CB 3.24Å; F406-L410 WeakPolarHBondContact O-CB 3.06Å; F406-L410 PolarHBondContact O-N 3.44Å; F406-L451 HydrophobicContact CD2-CD2 3.56Å; F406-L451 HydrophobicContact CE2-CB 4.34Å; F406-L451 HydrophobicContact CE2-CD2 3.64Å; F406-L451 HydrophobicContact CG-CD2 4.1Å; F406-L451 HydrophobicContact CZ-CD2 4.26Å; F406-V454 HydrophobicContact CD2-CB 4.27Å; F406-V454 HydrophobicContact CD2-CG1 4.11Å; F406-V454 HydrophobicContact CD2-CG2 4.28Å; F406-F455 HydrophobicContact CD2-CE2 4.38Å; F406-F455 HydrophobicContact CD2-CZ 4.44Å; F406-F455 AromaticContact CE2-CE2 3.54Å; F406-F455 HydrophobicContact CE2-CE2 3.54Å; F406-F455 AromaticContact CE2-CZ 3.69Å; F406-F455 HydrophobicContact CE2-CZ 3.69Å; F406-F455 HydrophobicContact CZ-CE2 4.12Å; F406-F455 AromaticContact CZ-CZ 3.96Å; F406-F455 HydrophobicContact CZ-CZ 3.96Å
407R92.9Very high94.1Very high59 Ų5948.7 Ų48.722%0.22323%0.234CC..Hα-helixtrans-63.6-42.7-177.7-69.7-178.5-78.4168.6-3.7112.6L57 Q58 Q401 N402 S403 D404 F405 A411L57-R407 HydrophobicContact CD1-CB 4.15Å; L57-R407 HydrophobicContact CD2-CB 3.98Å; Q58-R407 PolarHBondContact O-NH1 2.88Å; Q401-R407 WeakPolarHBondContact O-CG 3.44Å; N402-R407 PolarHBondContact O-NE 3.42Å; N402-R407 PolarHBondContact O-NH2 3.41Å; S403-R407 WeakPolarHBondContact O-CG 3.5Å; S403-R407 PolarHBondContact O-N 3.45Å; S403-R407 VanDerWaalsContact O-N 3.14Å; S403-R407 PolarHBondContact O-NE 3.09Å; S403-R407 VanDerWaalsContact O-NE 3.17Å; D404-R407 PolarHBondContact O-N 3.14Å; D404-R407 IonicContact OD1-CZ 2.58Å; D404-R407 IonicContact OD1-NE 3.49Å; D404-R407 IonicContact OD1-NH2 3.09Å; D404-R407 PolarHBondContact OD1-NH2 3.45Å; F405-R407 PolarHBondContact O-N 3.31Å; R407-A411 WeakPolarHBondContact O-CB 3.45Å; R407-A411 PolarHBondContact O-N 3.13Å
408R92.1Very high93.5Very high86 Ų8649.2 Ų49.233%0.32524%0.239SC..Hα-helixtrans-69.4-45.4178.5-70.4176.2-175.6-76.91.4111.6D53 L57 D404 F405 F406 L410 A411 W412D53-R408 PolarHBondContact O-NH1 3.4Å; L57-R408 HydrophobicContact CD2-CG 4.44Å; D404-R408 WeakPolarHBondContact O-CB 3.27Å; D404-R408 VanDerWaalsContact O-CG 3.23Å; D404-R408 WeakPolarHBondContact O-CG 3.22Å; D404-R408 PolarHBondContact O-N 3.35Å; F405-R408 PolarHBondContact O-N 3.24Å; F406-R408 PolarHBondContact O-N 3.47Å; R408-L410 VanDerWaalsContact C-N 3.34Å; R408-L410 PolarHBondContact O-N 2.89Å; R408-A411 PolarHBondContact O-N 3.48Å; R408-W412 WeakPolarHBondContact O-CB 3.2Å; R408-W412 PolarHBondContact O-N 3.05Å
409R94.6Very high93Very high78 Ų7849.1 Ų49.129%0.29424%0.239SC..Hα-helixtrans-62.5-40.1177.1-69.4-63.9-171.2-176.29112.3F405 F406 W412 L413 E450 L451F405-R409 HydrophobicContact CD1-CG 4.43Å; F405-R409 HydrophobicContact CD2-CG 4.26Å; F405-R409 HydrophobicContact CE1-CG 4.15Å; F405-R409 HydrophobicContact CE2-CG 3.98Å; F405-R409 HydrophobicContact CG-CG 4.48Å; F405-R409 HydrophobicContact CZ-CG 3.91Å; F405-R409 WeakPolarHBondContact O-CB 3.25Å; F405-R409 VanDerWaalsContact O-CG 3.23Å; F405-R409 WeakPolarHBondContact O-CG 3.4Å; F405-R409 PolarHBondContact O-N 2.91Å; F406-R409 PolarHBondContact O-N 3.45Å; R409-W412 PolarHBondContact O-N 3.34Å; R409-L413 WeakPolarHBondContact O-CB 3.36Å; R409-L413 PolarHBondContact O-N 3.05Å; R409-E450 WeakPolarHBondContact CD-OE2 3.38Å; R409-E450 IonicContact CZ-OE2 3.19Å; R409-E450 IonicContact NE-OE2 3.8Å; R409-E450 PolarHBondContact NE-OE2 3.41Å; R409-E450 VanDerWaalsContact NE-OE2 3.09Å; R409-E450 IonicContact NH1-OE2 3.47Å; R409-E450 IonicContact NH2-OE2 3Å; R409-L451 HydrophobicContact CB-CD2 3.7Å; R409-L451 HydrophobicContact CB-CG 4.2Å
410L93.3Very high92.7Very high76 Ų7641.3 Ų41.340%0.39821%0.21SC..Hα-helixtrans-65.5-45.1175.4-17962.6000111.7F406 R408 W412 L413 S414 L451F406-L410 HydrophobicContact CE1-CB 4.45Å; F406-L410 HydrophobicContact CE1-CD2 3.89Å; F406-L410 VanDerWaalsContact O-CB 3.24Å; F406-L410 WeakPolarHBondContact O-CB 3.06Å; F406-L410 PolarHBondContact O-N 3.44Å; R408-L410 VanDerWaalsContact C-N 3.34Å; R408-L410 PolarHBondContact O-N 2.89Å; L410-W412 VanDerWaalsContact C-N 3.29Å; L410-W412 PolarHBondContact O-N 3.19Å; L410-L413 PolarHBondContact O-N 3.04Å; L410-S414 PolarHBondContact O-N 3.02Å; L410-S414 PolarHBondContact O-OG 3.33Å; L410-L451 HydrophobicContact CB-CD1 4.38Å; L410-L451 HydrophobicContact CB-CD2 4.31Å; L410-L451 HydrophobicContact CD1-CD1 4.2Å
411A91.4Very high92.1Very high17 Ų1745 Ų4514%0.1423%0.226CC..Hα-helixtrans-60.8-40.9176.100000111.8V52 R407 R408 S414 A415V52-A411 HydrophobicContact CG1-CB 3.8Å; R407-A411 WeakPolarHBondContact O-CB 3.45Å; R407-A411 PolarHBondContact O-N 3.13Å; R408-A411 PolarHBondContact O-N 3.48Å; A411-S414 PolarHBondContact O-N 3.4Å; A411-A415 PolarHBondContact O-N 3.43Å; A411-A415 VanDerWaalsContact O-N 3.08Å
412W94.3Very high91.5Very high7 Ų744.9 Ų44.93%0.02722%0.222CC..Hα-helixtrans-67.9-42.9176.6-179.2-128.5000112.2Y45 M48 K49 V52 R408 R409 L410 S414 A415 L416 L419 E443 L447Y45-W412 HydrophobicContact CD2-CH2 4.02Å; Y45-W412 AromaticContact CD2-CZ2 3.95Å; Y45-W412 HydrophobicContact CD2-CZ2 3.95Å; Y45-W412 HydrophobicContact CE1-CZ2 4.46Å; Y45-W412 AromaticContact CE2-CH2 3.99Å; Y45-W412 HydrophobicContact CE2-CH2 3.99Å; Y45-W412 AromaticContact CE2-CZ2 3.45Å; Y45-W412 HydrophobicContact CE2-CZ2 3.45Å; Y45-W412 VanDerWaalsContact CE2-CZ2 3.45Å; Y45-W412 HydrophobicContact CG-CH2 4.47Å; Y45-W412 AromaticContact CZ-CZ2 3.72Å; M48-W412 HydrophobicContact CB-CH2 4.48Å; M48-W412 HydrophobicContact CB-CZ3 3.95Å; K49-W412 HydrophobicContact CB-CE3 4.36Å; K49-W412 HydrophobicContact CB-CH2 3.89Å; K49-W412 HydrophobicContact CB-CZ2 4.34Å; K49-W412 HydrophobicContact CB-CZ3 3.9Å; K49-W412 HydrophobicContact CD-CH2 4.43Å; K49-W412 HydrophobicContact CD-CZ2 4.05Å; K49-W412 HydrophobicContact CG-CH2 4.44Å; K49-W412 HydrophobicContact CG-CZ2 4.43Å; K49-W412 HydrophobicContact CG-CZ3 4.47Å; V52-W412 HydrophobicContact CB-CE3 4.39Å; V52-W412 HydrophobicContact CG1-CB 4.08Å; V52-W412 HydrophobicContact CG2-CE3 4.15Å; R408-W412 WeakPolarHBondContact O-CB 3.2Å; R408-W412 PolarHBondContact O-N 3.05Å; R409-W412 PolarHBondContact O-N 3.34Å; L410-W412 VanDerWaalsContact C-N 3.29Å; L410-W412 PolarHBondContact O-N 3.19Å; W412-S414 VanDerWaalsContact C-N 3.3Å; W412-S414 PolarHBondContact O-N 3.07Å; W412-A415 HydrophobicContact CE3-CB 4.07Å; W412-A415 HydrophobicContact CZ3-CB 4.23Å; W412-A415 PolarHBondContact O-N 3.33Å; W412-L416 HydrophobicContact CD2-CB 4.5Å; W412-L416 HydrophobicContact CH2-CB 4.45Å; W412-L416 HydrophobicContact CH2-CD1 4.28Å; W412-L416 HydrophobicContact CZ2-CB 4.17Å; W412-L416 HydrophobicContact CZ2-CD1 3.98Å; W412-L416 HydrophobicContact CZ2-CD2 4.34Å; W412-L416 HydrophobicContact CZ2-CG 4.4Å; W412-L416 VanDerWaalsContact O-CB 3.3Å; W412-L416 WeakPolarHBondContact O-CB 3.27Å; W412-L416 PolarHBondContact O-N 2.83Å; W412-L419 HydrophobicContact CH2-CD1 4.48Å; W412-E443 PolarHBondContact NE1-OE1 3.34Å; W412-L447 HydrophobicContact CG-CD1 4.23Å
413L94.5Very high91Very high24 Ų2443.5 Ų43.513%0.12622%0.215CC..Hα-helixtrans-56.3-45.2174.7174.361.8000111.2R409 L410 T417 R444 L447 R448 L451R409-L413 WeakPolarHBondContact O-CB 3.36Å; R409-L413 PolarHBondContact O-N 3.05Å; L410-L413 PolarHBondContact O-N 3.04Å; L413-T417 WeakPolarHBondContact O-CB 3.37Å; L413-T417 PolarHBondContact O-N 3.12Å; L413-T417 PolarHBondContact O-OG1 3.34Å; L413-R444 HydrophobicContact CD1-CG 3.51Å; L413-L447 HydrophobicContact CB-CB 4.4Å; L413-L447 HydrophobicContact CB-CD1 4.48Å; L413-L447 HydrophobicContact CD1-CB 4.17Å; L413-R448 HydrophobicContact CD1-CG 3.91Å; L413-R448 HydrophobicContact CD2-CG 3.94Å; L413-L451 HydrophobicContact CB-CD1 4.19Å; L413-L451 HydrophobicContact CD2-CD1 3.52Å; L413-L451 HydrophobicContact CG-CD1 4.49Å
414S90.2Very high90.4Very high63 Ų6347.2 Ų47.244%0.44123%0.228SC..Hα-helixtrans-61.9-48.2176.4-65.10000112.1L410 A411 W412 T417 S418L410-S414 PolarHBondContact O-N 3.02Å; L410-S414 PolarHBondContact O-OG 3.33Å; A411-S414 PolarHBondContact O-N 3.4Å; W412-S414 VanDerWaalsContact C-N 3.3Å; W412-S414 PolarHBondContact O-N 3.07Å; S414-T417 PolarHBondContact O-N 3.27Å; S414-S418 PolarHBondContact O-N 2.88Å; S414-S418 VanDerWaalsContact O-N 3.16Å; S414-S418 PolarHBondContact O-OG 2.95Å
415A89.5Confident89.6Confident0 Ų051.4 Ų51.40%025%0.245CC..Hα-helixtrans-63.1-43.3179.400000112.7M48 V52 A411 W412 T417 S418 L419 Y518M48-A415 HydrophobicContact CE-CB 3.96Å; V52-A415 HydrophobicContact CG2-CB 3.85Å; A411-A415 PolarHBondContact O-N 3.43Å; A411-A415 VanDerWaalsContact O-N 3.08Å; W412-A415 HydrophobicContact CE3-CB 4.07Å; W412-A415 HydrophobicContact CZ3-CB 4.23Å; W412-A415 PolarHBondContact O-N 3.33Å; A415-T417 VanDerWaalsContact C-N 3.32Å; A415-T417 PolarHBondContact O-N 2.84Å; A415-S418 PolarHBondContact O-N 3.29Å; A415-L419 PolarHBondContact O-N 3.22Å; A415-Y518 HydrophobicContact CB-CD1 4.42Å; A415-Y518 HydrophobicContact CB-CE1 4.06Å
416L92.5Very high88.8Confident0 Ų048.5 Ų48.50%023%0.234CC..Hα-helixtrans-66.3-35.5177.8-175.161.1000111.7Y45 W412 L419 V420 W440 E443 R444 L447Y45-L416 HydrophobicContact CD2-CD1 4.32Å; Y45-L416 HydrophobicContact CE2-CD1 4.29Å; W412-L416 HydrophobicContact CD2-CB 4.5Å; W412-L416 HydrophobicContact CH2-CB 4.45Å; W412-L416 HydrophobicContact CH2-CD1 4.28Å; W412-L416 HydrophobicContact CZ2-CB 4.17Å; W412-L416 HydrophobicContact CZ2-CD1 3.98Å; W412-L416 HydrophobicContact CZ2-CD2 4.34Å; W412-L416 HydrophobicContact CZ2-CG 4.4Å; W412-L416 VanDerWaalsContact O-CB 3.3Å; W412-L416 WeakPolarHBondContact O-CB 3.27Å; W412-L416 PolarHBondContact O-N 2.83Å; L416-L419 HydrophobicContact CD1-CD1 4.5Å; L416-L419 PolarHBondContact O-N 3.18Å; L416-V420 WeakPolarHBondContact O-CG2 3.43Å; L416-V420 PolarHBondContact O-N 3.41Å; L416-W440 HydrophobicContact CD1-CB 3.96Å; L416-W440 HydrophobicContact CD1-CD2 4.43Å; L416-W440 HydrophobicContact CD1-CG 4.11Å; L416-E443 HydrophobicContact CD2-CB 4.03Å; L416-E443 HydrophobicContact CD2-CG 3.9Å; L416-R444 HydrophobicContact CD2-CB 4.08Å; L416-L447 HydrophobicContact CD2-CD1 3.81Å
417T90.9Very high87.6Confident38 Ų3855.2 Ų55.223%0.23327%0.269CS..Hα-helixtrans-61.7-47.1175-57.80000110.6L413 S414 A415 L419 V420 E421L413-T417 WeakPolarHBondContact O-CB 3.37Å; L413-T417 PolarHBondContact O-N 3.12Å; L413-T417 PolarHBondContact O-OG1 3.34Å; S414-T417 PolarHBondContact O-N 3.27Å; A415-T417 VanDerWaalsContact C-N 3.32Å; A415-T417 PolarHBondContact O-N 2.84Å; T417-L419 VanDerWaalsContact C-N 3.34Å; T417-L419 PolarHBondContact O-N 3.19Å; T417-V420 PolarHBondContact O-N 3.06Å; T417-V420 VanDerWaalsContact O-N 3.17Å; T417-E421 HydrophobicContact CG2-CG 4.35Å; T417-E421 WeakPolarHBondContact O-CG 3.21Å; T417-E421 PolarHBondContact O-N 2.75Å
418S85.2Confident86.9Confident26 Ų2655.9 Ų55.918%0.18228%0.282CS..Hα-helixtrans-62.7-37.6176.8-57.30000113.1S414 A415 R422 Y518S414-S418 PolarHBondContact O-N 2.88Å; S414-S418 VanDerWaalsContact O-N 3.16Å; S414-S418 PolarHBondContact O-OG 2.95Å; A415-S418 PolarHBondContact O-N 3.29Å; S418-R422 WeakPolarHBondContact O-CB 3.44Å; S418-R422 PolarHBondContact O-N 3.31Å; S418-R422 VanDerWaalsContact O-N 3.09Å; S418-Y518 VanDerWaalsContact CB-CB 3.48Å
419L87.8Confident86.2Confident2 Ų251.9 Ų51.91%0.0127%0.268CS..Hα-helixtrans-61.3-46.9172.4-76.1177.7000111.7F26 M48 W412 A415 L416 T417 R422 F423 W440F26-L419 HydrophobicContact CE2-CD2 3.87Å; F26-L419 HydrophobicContact CZ-CD2 3.96Å; M48-L419 HydrophobicContact CB-CD1 4.05Å; M48-L419 HydrophobicContact CG-CD1 3.98Å; M48-L419 HydrophobicContact CG-CD2 4.13Å; M48-L419 HydrophobicContact CG-CG 4.29Å; W412-L419 HydrophobicContact CH2-CD1 4.48Å; A415-L419 PolarHBondContact O-N 3.22Å; L416-L419 HydrophobicContact CD1-CD1 4.5Å; L416-L419 PolarHBondContact O-N 3.18Å; T417-L419 VanDerWaalsContact C-N 3.34Å; T417-L419 PolarHBondContact O-N 3.19Å; L419-R422 PolarHBondContact O-N 3.29Å; L419-F423 HydrophobicContact CD2-CE2 4.38Å; L419-F423 VanDerWaalsContact O-CD2 3.3Å; L419-F423 WeakPolarHBondContact O-CD2 3.37Å; L419-F423 PolarHBondContact O-N 3.29Å; L419-W440 HydrophobicContact CB-CE3 4.13Å; L419-W440 HydrophobicContact CB-CZ3 3.93Å; L419-W440 HydrophobicContact CD1-CZ3 4.49Å
420V89.3Confident85.7Confident4 Ų452 Ų522%0.02428%0.275CS..Hα-helixtrans-62.6-48.5178.6173.50000110.6L416 T417 R422 F423 E424 W440L416-V420 WeakPolarHBondContact O-CG2 3.43Å; L416-V420 PolarHBondContact O-N 3.41Å; T417-V420 PolarHBondContact O-N 3.06Å; T417-V420 VanDerWaalsContact O-N 3.17Å; V420-R422 VanDerWaalsContact C-N 3.25Å; V420-R422 PolarHBondContact O-N 3.4Å; V420-F423 PolarHBondContact O-N 3.43Å; V420-E424 HydrophobicContact CG1-CB 4.35Å; V420-E424 WeakPolarHBondContact O-CB 3.43Å; V420-E424 PolarHBondContact O-N 3.33Å; V420-W440 HydrophobicContact CG2-CB 3.85Å; V420-W440 HydrophobicContact CG2-CE3 4.49Å
421E85.5Confident85.5Confident129 Ų12951.8 Ų51.860%0.60328%0.284SS*.Hα-helixtrans-56.3-38.6179.6-74.5172.2164.200112.6T417T417-E421 HydrophobicContact CG2-CG 4.35Å; T417-E421 WeakPolarHBondContact O-CG 3.21Å; T417-E421 PolarHBondContact O-N 2.75Å
422R83.3Confident85.4Confident56 Ų5655.8 Ų55.821%0.21130%0.303CS..Hα-helixtrans-67.7-40.6179.9-178.4176.7-178.4159.515.1113.6S418 L419 V420 V519S418-R422 WeakPolarHBondContact O-CB 3.44Å; S418-R422 PolarHBondContact O-N 3.31Å; S418-R422 VanDerWaalsContact O-N 3.09Å; L419-R422 PolarHBondContact O-N 3.29Å; V420-R422 VanDerWaalsContact C-N 3.25Å; V420-R422 PolarHBondContact O-N 3.4Å; R422-V519 PolarHBondContact NH1-OXT 3.03Å; R422-V519 PolarHBondContact NH2-OXT 2.97Å
423F86.4Confident85.1Confident2 Ų255.5 Ų55.51%0.00930%0.301CS..Hα-helixtrans-105.7-16.4-168.9-67.8-76.3000114.1N36 L41 L44 L419 V420 Q425 D426 L437 W440N36-F423 WeakPolarHBondContact OD1-CD1 3.44Å; N36-F423 VanDerWaalsContact OD1-CE1 3.23Å; N36-F423 WeakPolarHBondContact OD1-CE1 3.44Å; L41-F423 HydrophobicContact CD2-CB 4.42Å; L41-F423 HydrophobicContact CD2-CD1 3.93Å; L41-F423 HydrophobicContact CD2-CD2 4.14Å; L41-F423 HydrophobicContact CD2-CE1 4.2Å; L41-F423 HydrophobicContact CD2-CE2 4.42Å; L41-F423 HydrophobicContact CD2-CG 3.91Å; L41-F423 HydrophobicContact CD2-CZ 4.45Å; L44-F423 HydrophobicContact CD1-CE1 4.49Å; L44-F423 HydrophobicContact CD1-CE2 3.81Å; L44-F423 HydrophobicContact CD1-CZ 3.5Å; L419-F423 HydrophobicContact CD2-CE2 4.38Å; L419-F423 VanDerWaalsContact O-CD2 3.3Å; L419-F423 WeakPolarHBondContact O-CD2 3.37Å; L419-F423 PolarHBondContact O-N 3.29Å; V420-F423 PolarHBondContact O-N 3.43Å; F423-Q425 PolarHBondContact O-N 3.25Å; F423-D426 PolarHBondContact O-N 2.86Å; F423-D426 VanDerWaalsContact O-N 3.11Å; F423-L437 HydrophobicContact CB-CD1 4.18Å; F423-L437 HydrophobicContact CB-CD2 3.61Å; F423-L437 WeakPolarHBondContact O-CD1 3.44Å; F423-W440 HydrophobicContact CD2-CZ3 4.22Å
424E80.9Confident84.9Confident119 Ų11961 Ų6156%0.55632%0.321SS*.THydrogen-bonded Turntrans-59.9-31.9-177.8-176.4168.3-144.900113.2V420V420-E424 HydrophobicContact CG1-CB 4.35Å; V420-E424 WeakPolarHBondContact O-CB 3.43Å; V420-E424 PolarHBondContact O-N 3.33Å
425Q76.9Confident84.9Confident175 Ų17563.6 Ų63.682%0.81833%0.327SS*.THydrogen-bonded Turntrans-101.44.6178.7-61.7-173-2.200113.9F423 I427F423-Q425 PolarHBondContact O-N 3.25Å; Q425-I427 PolarHBondContact O-N 3.36Å; Q425-I427 VanDerWaalsContact O-N 3.11Å
426D79Confident85.1Confident39 Ų3963.9 Ų63.921%0.20933%0.329CS..  trans-74108.5-179.5-166.9-29000110.4N36 F423 S428 C429N36-D426 PolarHBondContact ND2-OD2 2.94Å; N36-D426 PolarHBondContact OD1-OD2 3.13Å; F423-D426 PolarHBondContact O-N 2.86Å; F423-D426 VanDerWaalsContact O-N 3.11Å; D426-S428 PolarHBondContact O-N 3.42Å; D426-S428 VanDerWaalsContact O-N 3.12Å; D426-S428 WeakPolarHBondContact OD1-CB 3.48Å; D426-S428 PolarHBondContact OD1-N 3.46Å; D426-S428 PolarHBondContact OD1-OG 2.82Å; D426-C429 PolarHBondContact O-N 3.3Å; D426-C429 VanDerWaalsContact O-N 3.16Å
427I68.8Low85.1Confident159 Ų15964.6 Ų64.682%0.81533%0.333SS*.THydrogen-bonded Turntrans-58.6-26-177.6-61.9167.8000111.8Q425 C429Q425-I427 PolarHBondContact O-N 3.36Å; Q425-I427 VanDerWaalsContact O-N 3.11Å; I427-C429 VanDerWaalsContact C-N 3.29Å; I427-C429 PolarHBondContact O-N 3.08Å
428S77.6Confident85.2Confident73 Ų7365.7 Ų65.751%0.5135%0.345SS..THydrogen-bonded Turntrans-80-4.9-177.267.20000114.6N36 D426 D430N36-S428 PolarHBondContact ND2-OG 3.22Å; D426-S428 PolarHBondContact O-N 3.42Å; D426-S428 VanDerWaalsContact O-N 3.12Å; D426-S428 WeakPolarHBondContact OD1-CB 3.48Å; D426-S428 PolarHBondContact OD1-N 3.46Å; D426-S428 PolarHBondContact OD1-OG 2.82Å; S428-D430 PolarHBondContact O-N 3.11Å
429C77.8Confident85.6Confident3 Ų369.6 Ų69.62%0.0236%0.359CS..  trans-69.2124.2173.4-68.40000111.1D426 I427 R434D426-C429 PolarHBondContact O-N 3.3Å; D426-C429 VanDerWaalsContact O-N 3.16Å; I427-C429 VanDerWaalsContact C-N 3.29Å; I427-C429 PolarHBondContact O-N 3.08Å; C429-R434 HydrophobicContact CB-CG 4.4Å; C429-R434 PolarHBondContact O-NH1 3.16Å; C429-R434 PolarHBondContact O-NH2 3.35Å
430D85.3Confident86Confident81 Ų8169.5 Ų69.543%0.43336%0.358SS..  trans-73.3-178.4171.765.528.1000112.1S428 D432 S433 R434S428-D430 PolarHBondContact O-N 3.11Å; D430-D432 VanDerWaalsContact C-N 3.32Å; D430-D432 PolarHBondContact O-N 2.95Å; D430-D432 PolarHBondContact OD1-N 2.79Å; D430-D432 VanDerWaalsContact OD1-N 3.07Å; D430-S433 WeakPolarHBondContact OD1-CB 3.23Å; D430-S433 PolarHBondContact OD1-N 2.68Å; D430-S433 PolarHBondContact OD1-OG 3.49Å; D430-R434 WeakPolarHBondContact O-CG 3.23Å; D430-R434 PolarHBondContact O-N 3.3Å
431A88Confident86.2Confident71 Ų7171.8 Ų71.859%0.58737%0.37SS*.Hα-helixtrans-62.2-38.6-179.400000112.6R434 M435A431-R434 PolarHBondContact O-N 3.47Å; A431-M435 PolarHBondContact O-N 3.41Å; A431-M435 VanDerWaalsContact O-N 3.16Å
432D89.1Confident86.8Confident101 Ų10171.5 Ų71.554%0.5437%0.369SS..Hα-helixtrans-72.6-40.7-178.1-66.5-30.7000111.1V38 D430 R434 M435 V436V38-D432 HydrophobicContact CG2-CB 3.5Å; V38-D432 VanDerWaalsContact CG2-CB 3.5Å; D430-D432 VanDerWaalsContact C-N 3.32Å; D430-D432 PolarHBondContact O-N 2.95Å; D430-D432 PolarHBondContact OD1-N 2.79Å; D430-D432 VanDerWaalsContact OD1-N 3.07Å; D432-R434 VanDerWaalsContact C-N 3.33Å; D432-R434 PolarHBondContact O-N 2.7Å; D432-M435 WeakPolarHBondContact O-CB 3.42Å; D432-M435 PolarHBondContact O-N 2.9Å; D432-M435 VanDerWaalsContact O-N 3.09Å; D432-V436 PolarHBondContact O-N 2.89Å; D432-V436 VanDerWaalsContact O-N 3.15Å
433S88.7Confident87.4Confident0 Ų070.3 Ų70.30%037%0.366CS..Hα-helixtrans-62.2-38.7172.5-74.40000111.8N36 V38 D430 M435 V436 L437N36-S433 WeakPolarHBondContact O-CB 3.34Å; N36-S433 PolarHBondContact O-OG 2.95Å; V38-S433 PolarHBondContact N-OG 2.84Å; D430-S433 WeakPolarHBondContact OD1-CB 3.23Å; D430-S433 PolarHBondContact OD1-N 2.68Å; D430-S433 PolarHBondContact OD1-OG 3.49Å; S433-M435 VanDerWaalsContact C-N 3.28Å; S433-M435 PolarHBondContact O-N 3.33Å; S433-V436 WeakPolarHBondContact O-CB 3.34Å; S433-V436 PolarHBondContact O-N 3.17Å; S433-L437 WeakPolarHBondContact O-CG 3.33Å; S433-L437 PolarHBondContact O-N 3.27Å
434R89.3Confident87.9Confident141 Ų14172.1 Ų72.153%0.53237%0.373SS..Hα-helixtrans-61.2-35.1171.5-80-169.1-104.2-87-2.8112.8C429 D430 A431 D432 V436 L437 A438C429-R434 HydrophobicContact CB-CG 4.4Å; C429-R434 PolarHBondContact O-NH1 3.16Å; C429-R434 PolarHBondContact O-NH2 3.35Å; D430-R434 WeakPolarHBondContact O-CG 3.23Å; D430-R434 PolarHBondContact O-N 3.3Å; A431-R434 PolarHBondContact O-N 3.47Å; D432-R434 VanDerWaalsContact C-N 3.33Å; D432-R434 PolarHBondContact O-N 2.7Å; R434-V436 VanDerWaalsContact C-N 3.32Å; R434-V436 PolarHBondContact O-N 2.82Å; R434-L437 PolarHBondContact O-N 3.38Å; R434-A438 PolarHBondContact O-N 2.81Å
435M91.8Very high88.6Confident117 Ų11770 Ų7058%0.57636%0.363SS*.Hα-helixtrans-66-33.7172.9-66.9-176.56200112.4A431 D432 S433 K439A431-M435 PolarHBondContact O-N 3.41Å; A431-M435 VanDerWaalsContact O-N 3.16Å; D432-M435 WeakPolarHBondContact O-CB 3.42Å; D432-M435 PolarHBondContact O-N 2.9Å; D432-M435 VanDerWaalsContact O-N 3.09Å; S433-M435 VanDerWaalsContact C-N 3.28Å; S433-M435 PolarHBondContact O-N 3.33Å; M435-K439 WeakPolarHBondContact O-CG 3.43Å; M435-K439 PolarHBondContact O-N 2.81Å; M435-K439 VanDerWaalsContact O-N 3.14Å
436V92.9Very high89.5Confident5 Ų566.6 Ų66.63%0.0335%0.347CS..Hα-helixtrans-64.7-46.4173.2179.70000110.9V38 L41 W42 D432 S433 R434 A438 K439 W440V38-V436 HydrophobicContact CB-CG2 4.43Å; V38-V436 HydrophobicContact CG1-CG2 3.94Å; V38-V436 HydrophobicContact CG2-CG2 4.29Å; L41-V436 HydrophobicContact CB-CG1 3.92Å; L41-V436 HydrophobicContact CD1-CB 4.03Å; L41-V436 HydrophobicContact CD1-CG1 4.14Å; W42-V436 HydrophobicContact CD2-CG1 4.27Å; W42-V436 HydrophobicContact CZ2-CG1 4.03Å; D432-V436 PolarHBondContact O-N 2.89Å; D432-V436 VanDerWaalsContact O-N 3.15Å; S433-V436 WeakPolarHBondContact O-CB 3.34Å; S433-V436 PolarHBondContact O-N 3.17Å; R434-V436 VanDerWaalsContact C-N 3.32Å; R434-V436 PolarHBondContact O-N 2.82Å; V436-A438 VanDerWaalsContact C-N 3.31Å; V436-A438 PolarHBondContact O-N 3.19Å; V436-K439 WeakPolarHBondContact O-CB 3.3Å; V436-K439 PolarHBondContact O-N 2.95Å; V436-K439 VanDerWaalsContact O-N 3.09Å; V436-W440 HydrophobicContact CG1-CD2 4.47Å; V436-W440 HydrophobicContact CG1-CZ2 3.92Å; V436-W440 PolarHBondContact O-N 2.95Å
437L91.9Very high90.3Very high16 Ų1664.8 Ų64.88%0.08434%0.337CS..Hα-helixtrans-62-38.5177.4-61.6176.7000112.2L41 F423 S433 R434 K439 W440 N441L41-L437 HydrophobicContact CD1-CD2 4.36Å; L41-L437 HydrophobicContact CD1-CG 4.45Å; L41-L437 HydrophobicContact CD2-CD2 4.42Å; F423-L437 HydrophobicContact CB-CD1 4.18Å; F423-L437 HydrophobicContact CB-CD2 3.61Å; F423-L437 WeakPolarHBondContact O-CD1 3.44Å; S433-L437 WeakPolarHBondContact O-CG 3.33Å; S433-L437 PolarHBondContact O-N 3.27Å; R434-L437 PolarHBondContact O-N 3.38Å; L437-K439 VanDerWaalsContact C-N 3.33Å; L437-K439 PolarHBondContact O-N 3.31Å; L437-W440 HydrophobicContact CD2-CD2 4.49Å; L437-W440 HydrophobicContact CD2-CE3 3.77Å; L437-W440 HydrophobicContact CD2-CZ3 3.87Å; L437-W440 PolarHBondContact O-N 2.99Å; L437-N441 WeakPolarHBondContact O-CB 3.4Å; L437-N441 PolarHBondContact O-N 3.43Å
438A92.8Very high91.6Very high60 Ų6059.5 Ų59.550%0.49631%0.307SS..Hα-helixtrans-61-40.2173.400000112.1R434 V436 N441 Q442R434-A438 PolarHBondContact O-N 2.81Å; V436-A438 VanDerWaalsContact C-N 3.31Å; V436-A438 PolarHBondContact O-N 3.19Å; A438-N441 PolarHBondContact O-N 2.58Å; A438-Q442 WeakPolarHBondContact O-CB 3.47Å; A438-Q442 PolarHBondContact O-N 3.05Å
439K95.5Very high92.5Very high109 Ų10958.5 Ų58.547%0.47429%0.294SS..Hα-helixtrans-64.4-40.6174-71.6173.7179.5177.70112W42 M435 V436 L437 Q442 E443W42-K439 HydrophobicContact CZ2-CD 4.07Å; M435-K439 WeakPolarHBondContact O-CG 3.43Å; M435-K439 PolarHBondContact O-N 2.81Å; M435-K439 VanDerWaalsContact O-N 3.14Å; V436-K439 WeakPolarHBondContact O-CB 3.3Å; V436-K439 PolarHBondContact O-N 2.95Å; V436-K439 VanDerWaalsContact O-N 3.09Å; L437-K439 VanDerWaalsContact C-N 3.33Å; L437-K439 PolarHBondContact O-N 3.31Å; K439-Q442 PolarHBondContact O-N 3.46Å; K439-E443 PolarHBondContact O-N 3.5Å
440W95.5Very high93.3Very high0 Ų061 Ų610%031%0.306CS..Hα-helixtrans-64.2-42.8175.7-67.81.4000112.1L41 W42 Y45 L416 L419 V420 F423 V436 L437 Q442 E443 R444L41-W440 HydrophobicContact CB-CH2 3.77Å; L41-W440 HydrophobicContact CB-CZ2 3.75Å; L41-W440 HydrophobicContact CD2-CH2 3.78Å; L41-W440 HydrophobicContact CD2-CZ3 4.23Å; L41-W440 HydrophobicContact CG-CH2 4.33Å; L41-W440 WeakPolarHBondContact O-CH2 3.24Å; L41-W440 WeakPolarHBondContact O-CZ2 3.4Å; W42-W440 AromaticContact CH2-NE1 3.98Å; W42-W440 AromaticContact CZ3-NE1 3.71Å; Y45-W440 AromaticContact CD2-CD1 3.8Å; Y45-W440 HydrophobicContact CD2-CD2 4.44Å; Y45-W440 AromaticContact CD2-CE2 3.84Å; Y45-W440 HydrophobicContact CD2-CG 4.43Å; Y45-W440 HydrophobicContact CD2-CZ2 4.37Å; Y45-W440 AromaticContact CD2-NE1 3.4Å; Y45-W440 HydrophobicContact CG-CZ2 4.5Å; L416-W440 HydrophobicContact CD1-CB 3.96Å; L416-W440 HydrophobicContact CD1-CD2 4.43Å; L416-W440 HydrophobicContact CD1-CG 4.11Å; L419-W440 HydrophobicContact CB-CE3 4.13Å; L419-W440 HydrophobicContact CB-CZ3 3.93Å; L419-W440 HydrophobicContact CD1-CZ3 4.49Å; V420-W440 HydrophobicContact CG2-CB 3.85Å; V420-W440 HydrophobicContact CG2-CE3 4.49Å; F423-W440 HydrophobicContact CD2-CZ3 4.22Å; V436-W440 HydrophobicContact CG1-CD2 4.47Å; V436-W440 HydrophobicContact CG1-CZ2 3.92Å; V436-W440 PolarHBondContact O-N 2.95Å; L437-W440 HydrophobicContact CD2-CD2 4.49Å; L437-W440 HydrophobicContact CD2-CE3 3.77Å; L437-W440 HydrophobicContact CD2-CZ3 3.87Å; L437-W440 PolarHBondContact O-N 2.99Å; W440-Q442 VanDerWaalsContact C-N 3.32Å; W440-Q442 PolarHBondContact O-N 3.47Å; W440-E443 PolarHBondContact O-N 2.97Å; W440-R444 WeakPolarHBondContact O-CB 3.39Å; W440-R444 PolarHBondContact O-N 3.36Å
441N94.2Very high93.9Very high51 Ų5157.9 Ų57.927%0.27329%0.289SS..Hα-helixtrans-61.4-41.8175.4-168.89.8000111.2L437 A438 R444 E445L437-N441 WeakPolarHBondContact O-CB 3.4Å; L437-N441 PolarHBondContact O-N 3.43Å; A438-N441 PolarHBondContact O-N 2.58Å; N441-R444 WeakPolarHBondContact O-CB 3.44Å; N441-R444 PolarHBondContact O-N 3.22Å; N441-R444 PolarHBondContact OD1-NH1 3.23Å; N441-R444 PolarHBondContact OD1-NH2 3.27Å; N441-E445 PolarHBondContact O-N 3.07Å
442Q96.6Very high94.3Very high123 Ų12355.1 Ų55.158%0.57526%0.264SS*.Hα-helixtrans-61.9-46.3174.2-172.1-177.716.700112.3A438 K439 W440 R444 E445 Q446A438-Q442 WeakPolarHBondContact O-CB 3.47Å; A438-Q442 PolarHBondContact O-N 3.05Å; K439-Q442 PolarHBondContact O-N 3.46Å; W440-Q442 VanDerWaalsContact C-N 3.32Å; W440-Q442 PolarHBondContact O-N 3.47Å; Q442-R444 VanDerWaalsContact C-N 3.29Å; Q442-R444 PolarHBondContact O-N 3.34Å; Q442-E445 PolarHBondContact O-N 2.98Å; Q442-Q446 WeakPolarHBondContact O-CG 3.44Å; Q442-Q446 PolarHBondContact O-N 3.48Å
443E97.4Very high94.6Very high31 Ų3154.7 Ų54.715%0.14526%0.26CS..Hα-helixtrans-61.1-39.2174.6-178.4177.3174.800111Y45 K49 W412 L416 K439 W440 E445 Q446 L447Y45-E443 WeakPolarHBondContact CE2-OE2 3.35Å; Y45-E443 VanDerWaalsContact CZ-OE2 3.27Å; Y45-E443 PolarHBondContact OH-OE1 3.04Å; Y45-E443 PolarHBondContact OH-OE2 3.42Å; K49-E443 IonicContact NZ-OE1 2.59Å; K49-E443 PolarHBondContact NZ-OE1 2.98Å; W412-E443 PolarHBondContact NE1-OE1 3.34Å; L416-E443 HydrophobicContact CD2-CB 4.03Å; L416-E443 HydrophobicContact CD2-CG 3.9Å; K439-E443 PolarHBondContact O-N 3.5Å; W440-E443 PolarHBondContact O-N 2.97Å; E443-E445 VanDerWaalsContact C-N 3.34Å; E443-E445 PolarHBondContact O-N 3.31Å; E443-Q446 WeakPolarHBondContact O-CB 3.49Å; E443-Q446 PolarHBondContact O-N 3.02Å; E443-L447 HydrophobicContact CG-CD1 4.14Å; E443-L447 HydrophobicContact CG-CG 4.33Å; E443-L447 VanDerWaalsContact O-CG 3.3Å; E443-L447 WeakPolarHBondContact O-CG 3.32Å; E443-L447 PolarHBondContact O-N 3.08Å
444R96.1Very high95Very high41 Ų4156.2 Ų56.216%0.15527%0.269CS..Hα-helixtrans-58.5-45176.5-164.2-166.971.7-121.9-9.4111.6L413 L416 W440 N441 Q442 L447 R448L413-R444 HydrophobicContact CD1-CG 3.51Å; L416-R444 HydrophobicContact CD2-CB 4.08Å; W440-R444 WeakPolarHBondContact O-CB 3.39Å; W440-R444 PolarHBondContact O-N 3.36Å; N441-R444 WeakPolarHBondContact O-CB 3.44Å; N441-R444 PolarHBondContact O-N 3.22Å; N441-R444 PolarHBondContact OD1-NH1 3.23Å; N441-R444 PolarHBondContact OD1-NH2 3.27Å; Q442-R444 VanDerWaalsContact C-N 3.29Å; Q442-R444 PolarHBondContact O-N 3.34Å; R444-L447 PolarHBondContact O-N 3.31Å; R444-R448 WeakPolarHBondContact O-CG 3.42Å; R444-R448 PolarHBondContact O-N 3.17Å
445E94.8Very high95.3Very high73 Ų7350.5 Ų50.534%0.34125%0.248SC..Hα-helixtrans-68.1-35.9176.8-66-53.6122.200112.5N441 Q442 E443 R448 E449N441-E445 PolarHBondContact O-N 3.07Å; Q442-E445 PolarHBondContact O-N 2.98Å; E443-E445 VanDerWaalsContact C-N 3.34Å; E443-E445 PolarHBondContact O-N 3.31Å; E445-R448 WeakPolarHBondContact O-CB 3.39Å; E445-R448 PolarHBondContact O-N 3.45Å; E445-R448 WeakPolarHBondContact OE1-CD 3.48Å; E445-R448 IonicContact OE1-CZ 3.08Å; E445-R448 IonicContact OE1-NE 3.57Å; E445-R448 IonicContact OE1-NH1 3.16Å; E445-R448 PolarHBondContact OE1-NH1 3.09Å; E445-R448 IonicContact OE2-CZ 3.87Å; E445-R448 IonicContact OE2-NE 3.89Å; E445-R448 IonicContact OE2-NH1 3.59Å; E445-R448 PolarHBondContact OE2-NH1 3.14Å; E445-E449 PolarHBondContact O-N 3.4Å; E445-E449 VanDerWaalsContact O-N 3.1Å
446Q96.5Very high95.5Very high104 Ų10445.2 Ų45.249%0.48622%0.222SC..Hα-helixtrans-61.8-47172.6-70.3171.2-0.900111.7Q442 E443 R448 E449 E450Q442-Q446 WeakPolarHBondContact O-CG 3.44Å; Q442-Q446 PolarHBondContact O-N 3.48Å; E443-Q446 WeakPolarHBondContact O-CB 3.49Å; E443-Q446 PolarHBondContact O-N 3.02Å; Q446-R448 VanDerWaalsContact C-N 3.29Å; Q446-R448 PolarHBondContact O-N 3.5Å; Q446-E449 PolarHBondContact O-N 3.39Å; Q446-E449 VanDerWaalsContact O-N 3.13Å; Q446-E450 WeakPolarHBondContact O-CG 3.3Å; Q446-E450 PolarHBondContact O-N 3Å
447L96.6Very high95.6Very high2 Ų248.7 Ų48.71%0.0124%0.244CC..Hα-helixtrans-60.7-38.4177.1-69.4168000112.2W412 L413 L416 E443 R444 E449 E450 L451W412-L447 HydrophobicContact CG-CD1 4.23Å; L413-L447 HydrophobicContact CB-CB 4.4Å; L413-L447 HydrophobicContact CB-CD1 4.48Å; L413-L447 HydrophobicContact CD1-CB 4.17Å; L416-L447 HydrophobicContact CD2-CD1 3.81Å; E443-L447 HydrophobicContact CG-CD1 4.14Å; E443-L447 HydrophobicContact CG-CG 4.33Å; E443-L447 VanDerWaalsContact O-CG 3.3Å; E443-L447 WeakPolarHBondContact O-CG 3.32Å; E443-L447 PolarHBondContact O-N 3.08Å; R444-L447 PolarHBondContact O-N 3.31Å; L447-E449 VanDerWaalsContact C-N 3.33Å; L447-E450 PolarHBondContact O-N 3.36Å; L447-L451 WeakPolarHBondContact O-CB 3.44Å; L447-L451 VanDerWaalsContact O-CG 3.3Å; L447-L451 WeakPolarHBondContact O-CG 3.36Å; L447-L451 PolarHBondContact O-N 3.07Å
448R95.9Very high95.8Very high47 Ų4751 Ų5118%0.17725%0.252CS..Hα-helixtrans-60.4-43.2174.7-78.4174.765.3174.24111.5L413 R444 E445 Q446 K452 Y466L413-R448 HydrophobicContact CD1-CG 3.91Å; L413-R448 HydrophobicContact CD2-CG 3.94Å; R444-R448 WeakPolarHBondContact O-CG 3.42Å; R444-R448 PolarHBondContact O-N 3.17Å; E445-R448 WeakPolarHBondContact O-CB 3.39Å; E445-R448 PolarHBondContact O-N 3.45Å; E445-R448 WeakPolarHBondContact OE1-CD 3.48Å; E445-R448 IonicContact OE1-CZ 3.08Å; E445-R448 IonicContact OE1-NE 3.57Å; E445-R448 IonicContact OE1-NH1 3.16Å; E445-R448 PolarHBondContact OE1-NH1 3.09Å; E445-R448 IonicContact OE2-CZ 3.87Å; E445-R448 IonicContact OE2-NE 3.89Å; E445-R448 IonicContact OE2-NH1 3.59Å; E445-R448 PolarHBondContact OE2-NH1 3.14Å; Q446-R448 VanDerWaalsContact C-N 3.29Å; Q446-R448 PolarHBondContact O-N 3.5Å; R448-K452 WeakPolarHBondContact O-CB 3.45Å; R448-K452 PolarHBondContact O-N 2.98Å; R448-K452 VanDerWaalsContact O-N 3.13Å; R448-Y466 HydrophobicContact CB-CD1 3.65Å; R448-Y466 HydrophobicContact CB-CE1 3.88Å; R448-Y466 HydrophobicContact CG-CD1 4.29Å; R448-Y466 VanDerWaalsContact NH2-CB 3.3Å; R448-Y466 VanDerWaalsContact NH2-CG 3.28Å
449E95.2Very high96Very high52 Ų5248.1 Ų48.124%0.24323%0.228CC..Hα-helixtrans-71.3-42.1177.3-165.958.6-15500112E445 Q446 L447 L451 K452 M453 Y466E445-E449 PolarHBondContact O-N 3.4Å; E445-E449 VanDerWaalsContact O-N 3.1Å; Q446-E449 PolarHBondContact O-N 3.39Å; Q446-E449 VanDerWaalsContact O-N 3.13Å; L447-E449 VanDerWaalsContact C-N 3.33Å; E449-L451 VanDerWaalsContact C-N 3.33Å; E449-L451 PolarHBondContact O-N 2.98Å; E449-K452 WeakPolarHBondContact O-CB 3.3Å; E449-K452 PolarHBondContact O-N 3.22Å; E449-K452 VanDerWaalsContact O-N 3.15Å; E449-K452 IonicContact OE1-NZ 3.85Å; E449-K452 PolarHBondContact OE1-NZ 3.34Å; E449-K452 WeakPolarHBondContact OE2-CD 3.37Å; E449-M453 HydrophobicContact CG-CE 4.11Å; E449-M453 HydrophobicContact CG-CG 4.36Å; E449-M453 HydrophobicContact CG-SD 4.29Å; E449-M453 WeakPolarHBondContact O-CG 3.36Å; E449-M453 PolarHBondContact O-N 3.25Å; E449-Y466 PolarHBondContact OE2-OH 3.43Å
450E96Very high96.1Very high57 Ų5743 Ų4327%0.26621%0.207SC..Hα-helixtrans-53.6-50173.8-75-177.7-174.700111.2R409 Q446 L447 K452 M453 V454R409-E450 WeakPolarHBondContact CD-OE2 3.38Å; R409-E450 IonicContact CZ-OE2 3.19Å; R409-E450 IonicContact NE-OE2 3.8Å; R409-E450 PolarHBondContact NE-OE2 3.41Å; R409-E450 VanDerWaalsContact NE-OE2 3.09Å; R409-E450 IonicContact NH1-OE2 3.47Å; R409-E450 IonicContact NH2-OE2 3Å; Q446-E450 WeakPolarHBondContact O-CG 3.3Å; Q446-E450 PolarHBondContact O-N 3Å; L447-E450 PolarHBondContact O-N 3.36Å; E450-K452 VanDerWaalsContact C-N 3.34Å; E450-K452 PolarHBondContact O-N 3.22Å; E450-M453 PolarHBondContact O-N 3.42Å; E450-V454 WeakPolarHBondContact O-CG2 3.49Å; E450-V454 PolarHBondContact O-N 2.88Å
451L96.7Very high96.1Very high14 Ų1443.2 Ų43.27%0.07321%0.208CC..Hα-helixtrans-65-35.3179.2-72.6170.4000112.9F406 R409 L410 L413 L447 E449 F455F406-L451 HydrophobicContact CD2-CD2 3.56Å; F406-L451 HydrophobicContact CE2-CB 4.34Å; F406-L451 HydrophobicContact CE2-CD2 3.64Å; F406-L451 HydrophobicContact CG-CD2 4.1Å; F406-L451 HydrophobicContact CZ-CD2 4.26Å; R409-L451 HydrophobicContact CB-CD2 3.7Å; R409-L451 HydrophobicContact CB-CG 4.2Å; L410-L451 HydrophobicContact CB-CD1 4.38Å; L410-L451 HydrophobicContact CB-CD2 4.31Å; L410-L451 HydrophobicContact CD1-CD1 4.2Å; L413-L451 HydrophobicContact CB-CD1 4.19Å; L413-L451 HydrophobicContact CD2-CD1 3.52Å; L413-L451 HydrophobicContact CG-CD1 4.49Å; L447-L451 WeakPolarHBondContact O-CB 3.44Å; L447-L451 VanDerWaalsContact O-CG 3.3Å; L447-L451 WeakPolarHBondContact O-CG 3.36Å; L447-L451 PolarHBondContact O-N 3.07Å; E449-L451 VanDerWaalsContact C-N 3.33Å; E449-L451 PolarHBondContact O-N 2.98Å; L451-F455 WeakPolarHBondContact O-CD2 3.29Å
452K96.4Very high96.2Very high14 Ų1441.1 Ų41.16%0.06120%0.197CC..Hα-helixtrans-63.5-48.2173.8171.8-173164.5-88.20110.6R448 E449 E450 V454 F455 P457 R458 G460 Y466R448-K452 WeakPolarHBondContact O-CB 3.45Å; R448-K452 PolarHBondContact O-N 2.98Å; R448-K452 VanDerWaalsContact O-N 3.13Å; E449-K452 WeakPolarHBondContact O-CB 3.3Å; E449-K452 PolarHBondContact O-N 3.22Å; E449-K452 VanDerWaalsContact O-N 3.15Å; E449-K452 IonicContact OE1-NZ 3.85Å; E449-K452 PolarHBondContact OE1-NZ 3.34Å; E449-K452 WeakPolarHBondContact OE2-CD 3.37Å; E450-K452 VanDerWaalsContact C-N 3.34Å; E450-K452 PolarHBondContact O-N 3.22Å; K452-V454 PolarHBondContact O-N 2.75Å; K452-F455 PolarHBondContact O-N 3.05Å; K452-P457 PolarHBondContact NZ-O 3.22Å; K452-R458 WeakPolarHBondContact CE-O 3.38Å; K452-R458 PolarHBondContact NZ-O 2.76Å; K452-R458 VanDerWaalsContact NZ-O 3.08Å; K452-G460 WeakPolarHBondContact O-CA 3.42Å; K452-Y466 HydrophobicContact CB-CE1 4.27Å; K452-Y466 HydrophobicContact CD-CE1 4.09Å
453M95.5Very high96.2Very high92 Ų9236.7 Ų36.745%0.45318%0.176SC..Hα-helixtrans-66.4-20.8-174.5-70.9-172.7-63.400113.9E449 E450 F455E449-M453 HydrophobicContact CG-CE 4.11Å; E449-M453 HydrophobicContact CG-CG 4.36Å; E449-M453 HydrophobicContact CG-SD 4.29Å; E449-M453 WeakPolarHBondContact O-CG 3.36Å; E449-M453 PolarHBondContact O-N 3.25Å; E450-M453 PolarHBondContact O-N 3.42Å; M453-F455 PolarHBondContact O-N 3.09Å; M453-F455 VanDerWaalsContact O-N 3.16Å
454V96.6Very high96.2Very high31 Ų3141.1 Ų41.119%0.18819%0.191CC..THydrogen-bonded Turntrans-55.7-29.9173.7173.30000112.5L400 F405 F406 E450 K452L400-V454 HydrophobicContact CB-CG1 3.96Å; L400-V454 WeakPolarHBondContact CD1-O 3.12Å; L400-V454 HydrophobicContact CD2-CG1 4.26Å; F405-V454 HydrophobicContact CD1-CG2 3.92Å; F405-V454 HydrophobicContact CE1-CG2 3.67Å; F406-V454 HydrophobicContact CD2-CB 4.27Å; F406-V454 HydrophobicContact CD2-CG1 4.11Å; F406-V454 HydrophobicContact CD2-CG2 4.28Å; E450-V454 WeakPolarHBondContact O-CG2 3.49Å; E450-V454 PolarHBondContact O-N 2.88Å; K452-V454 PolarHBondContact O-N 2.75Å
455F96.5Very high96.2Very high22 Ų2239.5 Ų39.510%0.09619%0.186CC..THydrogen-bonded Turntrans-89.9-91.8-178.1-59.2-84.4000112.1E397 L400 Q401 F406 L451 K452 M453E397-F455 HydrophobicContact CB-CD1 4.3Å; E397-F455 HydrophobicContact CB-CE1 3.97Å; E397-F455 HydrophobicContact CG-CD1 3.87Å; E397-F455 HydrophobicContact CG-CE1 4.01Å; E397-F455 VanDerWaalsContact OE2-CE1 3.29Å; E397-F455 WeakPolarHBondContact OE2-CE1 3.33Å; L400-F455 HydrophobicContact CB-CE1 4.41Å; L400-F455 HydrophobicContact CD1-CD1 4Å; Q401-F455 HydrophobicContact CG-CE1 3.9Å; Q401-F455 HydrophobicContact CG-CZ 3.65Å; F406-F455 HydrophobicContact CD2-CE2 4.38Å; F406-F455 HydrophobicContact CD2-CZ 4.44Å; F406-F455 AromaticContact CE2-CE2 3.54Å; F406-F455 HydrophobicContact CE2-CE2 3.54Å; F406-F455 AromaticContact CE2-CZ 3.69Å; F406-F455 HydrophobicContact CE2-CZ 3.69Å; F406-F455 HydrophobicContact CZ-CE2 4.12Å; F406-F455 AromaticContact CZ-CZ 3.96Å; F406-F455 HydrophobicContact CZ-CZ 3.96Å; L451-F455 WeakPolarHBondContact O-CD2 3.29Å; K452-F455 PolarHBondContact O-N 3.05Å; M453-F455 PolarHBondContact O-N 3.09Å; M453-F455 VanDerWaalsContact O-N 3.16Å
456N96.6Very high96.1Very high6 Ų638.4 Ų38.43%0.03218%0.179CC..  trans-111.5126.5169.1176.7-75.5000107.1E125 V128 R458 F459 G460E125-N456 PolarHBondContact O-ND2 3.32Å; V128-N456 HydrophobicContact CG1-CB 3.58Å; N456-R458 PolarHBondContact O-N 2.95Å; N456-R458 WeakPolarHBondContact OD1-CA 3.37Å; N456-R458 WeakPolarHBondContact OD1-CB 3.42Å; N456-R458 PolarHBondContact OD1-N 3.36Å; N456-F459 PolarHBondContact OD1-N 3.43Å; N456-G460 WeakPolarHBondContact O-CA 3.32Å; N456-G460 PolarHBondContact O-N 2.97Å
457P95.1Very high95.8Very high77 Ų7739.9 Ų39.950%0.519%0.185SC..THydrogen-bonded Turntrans-57.7-34.5-176.8-27.635.6000113.8K452K452-P457 PolarHBondContact NZ-O 3.22Å
458R95.9Very high95.6Very high64 Ų6440.2 Ų40.224%0.24219%0.188CC..THydrogen-bonded Turntrans-81.1-53.5-175.8-59172.7179.9113.4-13.4111.1D123 E125 F126 Y155 K452 N456D123-R458 IonicContact OD2-CZ 2.65Å; D123-R458 IonicContact OD2-NH1 3.96Å; D123-R458 PolarHBondContact OD2-NH1 2.9Å; D123-R458 IonicContact OD2-NH2 3.13Å; D123-R458 PolarHBondContact OD2-NH2 3.29Å; D123-R458 VanDerWaalsContact OD2-NH2 3.09Å; E125-R458 PolarHBondContact O-NH1 3Å; F126-R458 VanDerWaalsContact CA-NH1 3.33Å; Y155-R458 HydrophobicContact CE1-CG 4.49Å; Y155-R458 HydrophobicContact CE2-CB 4.12Å; K452-R458 WeakPolarHBondContact CE-O 3.38Å; K452-R458 PolarHBondContact NZ-O 2.76Å; K452-R458 VanDerWaalsContact NZ-O 3.08Å; N456-R458 PolarHBondContact O-N 2.95Å; N456-R458 WeakPolarHBondContact OD1-CA 3.37Å; N456-R458 WeakPolarHBondContact OD1-CB 3.42Å; N456-R458 PolarHBondContact OD1-N 3.36Å
459F96.9Very high95.6Very high0 Ų039.7 Ų39.70%019%0.191CC..THydrogen-bonded Turntrans-111.8-10.7-169-61.3-76.4000115.1F126 V128 L131 L140 K142 T153 Y155 N456F126-F459 WeakPolarHBondContact O-CD2 3.47Å; F126-F459 VanDerWaalsContact O-CE2 3.23Å; F126-F459 WeakPolarHBondContact O-CE2 3.27Å; V128-F459 HydrophobicContact CG1-CB 4.49Å; V128-F459 HydrophobicContact CG2-CB 3.57Å; V128-F459 HydrophobicContact CG2-CD2 4.5Å; V128-F459 HydrophobicContact CG2-CG 4.19Å; L131-F459 HydrophobicContact CD1-CD1 3.9Å; L131-F459 HydrophobicContact CD1-CD2 3.9Å; L131-F459 HydrophobicContact CD1-CE1 3.85Å; L131-F459 HydrophobicContact CD1-CE2 3.89Å; L131-F459 HydrophobicContact CD1-CG 3.93Å; L131-F459 HydrophobicContact CD1-CZ 3.88Å; L131-F459 HydrophobicContact CD2-CB 4.09Å; L131-F459 HydrophobicContact CD2-CD1 3.37Å; L131-F459 HydrophobicContact CD2-CE1 3.9Å; L131-F459 HydrophobicContact CD2-CG 3.76Å; L131-F459 HydrophobicContact CG-CD1 4.3Å; L131-F459 HydrophobicContact CG-CG 4.49Å; L140-F459 HydrophobicContact CD2-CE1 4.26Å; L140-F459 HydrophobicContact CD2-CE2 4.16Å; L140-F459 HydrophobicContact CD2-CZ 3.55Å; L140-F459 HydrophobicContact CG-CE1 4.24Å; L140-F459 HydrophobicContact CG-CZ 4.01Å; K142-F459 HydrophobicContact CB-CD1 4.36Å; K142-F459 HydrophobicContact CD-CB 4.35Å; K142-F459 WeakPolarHBondContact CD-O 3.18Å; K142-F459 WeakPolarHBondContact CE-O 3.41Å; K142-F459 PolarHBondContact NZ-O 3.28Å; T153-F459 WeakPolarHBondContact O-CE1 3.17Å; Y155-F459 AromaticContact CD2-CE1 3.81Å; Y155-F459 HydrophobicContact CD2-CE1 3.81Å; Y155-F459 HydrophobicContact CD2-CE2 4.49Å; Y155-F459 AromaticContact CD2-CZ 3.58Å; Y155-F459 HydrophobicContact CD2-CZ 3.58Å; Y155-F459 HydrophobicContact CE2-CE1 4.14Å; Y155-F459 AromaticContact CE2-CZ 4Å; Y155-F459 HydrophobicContact CE2-CZ 4Å; Y155-F459 HydrophobicContact CG-CZ 4.3Å; N456-F459 PolarHBondContact OD1-N 3.43Å
460G96.6Very high95.7Very high2 Ų237.3 Ų37.32%0.02118%0.18CC..  trans73-153.7-179.300000114.8K452 N456K452-G460 WeakPolarHBondContact O-CA 3.42Å; N456-G460 WeakPolarHBondContact O-CA 3.32Å; N456-G460 PolarHBondContact O-N 2.97Å
461S97Very high95.6Very high5 Ų535.1 Ų35.14%0.03517%0.169CC..  trans-66.7139.5178.5165.20000111.7K142 E397 F463 R464K142-S461 VanDerWaalsContact CE-O 3.3Å; K142-S461 WeakPolarHBondContact CE-O 3.47Å; K142-S461 PolarHBondContact NZ-O 2.89Å; E397-S461 WeakPolarHBondContact OE1-CA 3.44Å; E397-S461 PolarHBondContact OE1-OG 3.45Å; E397-S461 WeakPolarHBondContact OE2-CB 3.28Å; E397-S461 PolarHBondContact OE2-OG 3.37Å; S461-F463 PolarHBondContact O-N 3.38Å; S461-F463 PolarHBondContact OG-N 3.38Å; S461-R464 PolarHBondContact O-N 2.91Å; S461-R464 PolarHBondContact OG-N 3.14Å
462L96.1Very high95.5Very high7 Ų734.6 Ų34.64%0.03717%0.166CC..THydrogen-bonded Turntrans-52-37.1168.8172.560.3000111.2R129 V391 E393 E397 S470 F472R129-L462 HydrophobicContact CB-CD1 3.98Å; R129-L462 WeakPolarHBondContact O-CD1 3.26Å; V391-L462 HydrophobicContact CG1-CD2 3.75Å; E393-L462 HydrophobicContact CB-CD2 4.28Å; E393-L462 HydrophobicContact CG-CD2 4.49Å; E397-L462 VanDerWaalsContact OE1-CB 3.27Å; E397-L462 WeakPolarHBondContact OE1-CB 3.34Å; E397-L462 PolarHBondContact OE1-N 3.15Å; L462-S470 VanDerWaalsContact O-CB 3.27Å; L462-S470 WeakPolarHBondContact O-CB 3.36Å; L462-S470 PolarHBondContact O-OG 2.89Å; L462-F472 HydrophobicContact CD1-CB 4.11Å; L462-F472 HydrophobicContact CD1-CD1 3.67Å; L462-F472 HydrophobicContact CD1-CD2 4.11Å; L462-F472 HydrophobicContact CD1-CE1 4.14Å; L462-F472 HydrophobicContact CD1-CG 3.67Å; L462-F472 HydrophobicContact CD2-CD1 4.02Å; L462-F472 HydrophobicContact CD2-CE1 3.7Å; L462-F472 HydrophobicContact CD2-CZ 4.14Å; L462-F472 HydrophobicContact CG-CD1 3.61Å; L462-F472 HydrophobicContact CG-CE1 3.84Å; L462-F472 HydrophobicContact CG-CG 4.16Å
463F96.9Very high95.4Very high30 Ų3034.5 Ų34.513%0.13217%0.168CC..THydrogen-bonded Turntrans-92.2-12.7-168.9-60.5-80.1000115V391 L394 E397 S461 S470 F472 S473 L476V391-F463 HydrophobicContact CB-CZ 4.42Å; V391-F463 HydrophobicContact CG1-CE1 4.27Å; V391-F463 HydrophobicContact CG1-CZ 3.62Å; L394-F463 HydrophobicContact CB-CZ 4.32Å; L394-F463 HydrophobicContact CD1-CE2 3.81Å; L394-F463 HydrophobicContact CD1-CZ 3.78Å; E397-F463 HydrophobicContact CG-CD2 4.46Å; E397-F463 HydrophobicContact CG-CE2 4.37Å; E397-F463 WeakPolarHBondContact OE2-CD2 3.36Å; S461-F463 PolarHBondContact O-N 3.38Å; S461-F463 PolarHBondContact OG-N 3.38Å; F463-S470 VanDerWaalsContact C-OG 3.31Å; F463-S470 WeakPolarHBondContact CA-OG 3.43Å; F463-S470 PolarHBondContact O-N 3.14Å; F463-S470 PolarHBondContact O-OG 3.37Å; F463-F472 HydrophobicContact CD1-CD1 4.31Å; F463-F472 HydrophobicContact CD1-CE1 4.24Å; F463-F472 HydrophobicContact CE1-CD1 4.37Å; F463-F472 AromaticContact CE1-CE1 3.85Å; F463-F472 HydrophobicContact CE1-CE1 3.85Å; F463-S473 WeakPolarHBondContact CA-OG 3.43Å; F463-S473 WeakPolarHBondContact CB-OG 3.18Å; F463-S473 WeakPolarHBondContact CD1-OG 3.08Å; F463-S473 WeakPolarHBondContact O-CB 3.3Å; F463-S473 PolarHBondContact O-OG 3.4Å; F463-L476 HydrophobicContact CD1-CD2 4.38Å; F463-L476 HydrophobicContact CE1-CD2 3.8Å
464R96.3Very high95.3Very high124 Ų12432 Ų3247%0.46816%0.155SC..EExtended strand (participates in β ladder)trans-143.7140.2-165.1-175168.7-70.8-77.6-1.3113.9K142 S461 Y466 H467K142-R464 PolarHBondContact NZ-O 2.91Å; S461-R464 PolarHBondContact O-N 2.91Å; S461-R464 PolarHBondContact OG-N 3.14Å; R464-Y466 WeakPolarHBondContact CD-O 3.31Å; R464-Y466 WeakPolarHBondContact CG-O 3.15Å; R464-H467 PolarHBondContact NH1-O 3.34Å
465T95.7Very high95Very high6 Ų632.4 Ų32.44%0.03715%0.154CC..EExtended strand (participates in β ladder)trans-120.484.3172.854.70000108.1K142 D144 Q150 H467 S468K142-T465 HydrophobicContact CD-CG2 4.38Å; K142-T465 HydrophobicContact CG-CG2 4.35Å; D144-T465 HydrophobicContact CB-CG2 4.04Å; D144-T465 WeakPolarHBondContact CB-OG1 3.36Å; Q150-T465 HydrophobicContact CB-CG2 4.23Å; T465-H467 PolarHBondContact O-N 3.12Å; T465-H467 VanDerWaalsContact O-N 3.08Å; T465-S468 PolarHBondContact N-O 2.89Å; T465-S468 PolarHBondContact O-N 3.33Å; T465-S468 VanDerWaalsContact O-N 3.13Å; T465-S468 PolarHBondContact OG1-O 3.39Å
466Y92.6Very high94.9Very high50 Ų5031.5 Ų31.520%0.19615%0.15CC..THydrogen-bonded Turntrans54.6-105.9-168.6-57.1-65000113.1Q150 R448 E449 K452 R464Q150-Y466 HydrophobicContact CG-CD2 4.1Å; Q150-Y466 HydrophobicContact CG-CE2 3.8Å; R448-Y466 HydrophobicContact CB-CD1 3.65Å; R448-Y466 HydrophobicContact CB-CE1 3.88Å; R448-Y466 HydrophobicContact CG-CD1 4.29Å; R448-Y466 VanDerWaalsContact NH2-CB 3.3Å; R448-Y466 VanDerWaalsContact NH2-CG 3.28Å; E449-Y466 PolarHBondContact OE2-OH 3.43Å; K452-Y466 HydrophobicContact CB-CE1 4.27Å; K452-Y466 HydrophobicContact CD-CE1 4.09Å; R464-Y466 WeakPolarHBondContact CD-O 3.31Å; R464-Y466 WeakPolarHBondContact CG-O 3.15Å
467H90.1Very high94.6Very high135 Ų13533.3 Ų33.363%0.62516%0.159SC*.THydrogen-bonded Turntrans-85.4-26.9179.854.1-93.6000112.9R464 T465R464-H467 PolarHBondContact NH1-O 3.34Å; T465-H467 PolarHBondContact O-N 3.12Å; T465-H467 VanDerWaalsContact O-N 3.08Å
468S93.8Very high94.4Very high10 Ų1038.3 Ų38.37%0.0717%0.168CC..EExtended strand (participates in β ladder)trans-85.9149.5-176.9-630000112.1T465T465-S468 PolarHBondContact N-O 2.89Å; T465-S468 PolarHBondContact O-N 3.33Å; T465-S468 VanDerWaalsContact O-N 3.13Å; T465-S468 PolarHBondContact OG1-O 3.39Å
469P95.7Very high94.1Very high35 Ų3537 Ų3723%0.22717%0.165CC..EExtended strand (participates in β ladder)trans-58.4146.7161.6-17.530.7000110A145A145-P469 HydrophobicContact CB-CB 4.25Å; A145-P469 WeakPolarHBondContact CB-O 3.46Å; A145-P469 PolarHBondContact N-O 3.35Å
470S96.8Very high94Very high3 Ų337 Ų372%0.02117%0.165CC..BIsolated β-bridgetrans-67.7164.2168.565.90000111.2L462 F463 F472 S473 I474L462-S470 VanDerWaalsContact O-CB 3.27Å; L462-S470 WeakPolarHBondContact O-CB 3.36Å; L462-S470 PolarHBondContact O-OG 2.89Å; F463-S470 VanDerWaalsContact C-OG 3.31Å; F463-S470 WeakPolarHBondContact CA-OG 3.43Å; F463-S470 PolarHBondContact O-N 3.14Å; F463-S470 PolarHBondContact O-OG 3.37Å; S470-F472 PolarHBondContact O-N 3.47Å; S470-S473 WeakPolarHBondContact O-CB 3.21Å; S470-S473 PolarHBondContact O-N 3.36Å; S470-S473 VanDerWaalsContact O-N 3.12Å; S470-S473 PolarHBondContact OG-N 3.44Å; S470-S473 VanDerWaalsContact OG-N 3.09Å; S470-S473 PolarHBondContact OG-OG 3.15Å; S470-I474 PolarHBondContact O-N 3.05Å; S470-I474 VanDerWaalsContact O-N 3.11Å
471Y94.2Very high93.9Very high11 Ų1137.6 Ų37.64%0.04317%0.168CC..Hα-helixtrans-53.5-42.1169.9-169.1-94000112.5H132 L143 N147 L180 I474 R475H132-Y471 AromaticContact CE1-CD1 3.74Å; H132-Y471 AromaticContact CE1-CG 3.91Å; H132-Y471 AromaticContact NE2-CD1 3.68Å; H132-Y471 AromaticContact NE2-CE1 3.76Å; L143-Y471 HydrophobicContact CB-CD2 4.49Å; L143-Y471 PolarHBondContact O-N 2.82Å; N147-Y471 VanDerWaalsContact OD1-CE2 3.27Å; N147-Y471 WeakPolarHBondContact OD1-CE2 3.37Å; L180-Y471 HydrophobicContact CD1-CE2 3.94Å; Y471-I474 WeakPolarHBondContact O-CG2 3.29Å; Y471-R475 HydrophobicContact CE1-CG 4.35Å; Y471-R475 WeakPolarHBondContact O-CG 3.12Å; Y471-R475 PolarHBondContact O-N 3.06Å; Y471-R475 PolarHBondContact OH-NE 3.5Å; Y471-R475 PolarHBondContact OH-NH2 3.09Å
472F94.2Very high93.9Very high2 Ų237.4 Ų37.41%0.00917%0.167CC..Hα-helixtrans-58.9-48.7174.9176.1-89.6000111.6V372 V391 L462 F463 S470 I474 R475 L476V372-F472 HydrophobicContact CG2-CE2 3.96Å; V372-F472 HydrophobicContact CG2-CZ 4.02Å; V391-F472 HydrophobicContact CG1-CE1 4.48Å; V391-F472 HydrophobicContact CG1-CZ 4.45Å; V391-F472 HydrophobicContact CG2-CZ 4.28Å; L462-F472 HydrophobicContact CD1-CB 4.11Å; L462-F472 HydrophobicContact CD1-CD1 3.67Å; L462-F472 HydrophobicContact CD1-CD2 4.11Å; L462-F472 HydrophobicContact CD1-CE1 4.14Å; L462-F472 HydrophobicContact CD1-CG 3.67Å; L462-F472 HydrophobicContact CD2-CD1 4.02Å; L462-F472 HydrophobicContact CD2-CE1 3.7Å; L462-F472 HydrophobicContact CD2-CZ 4.14Å; L462-F472 HydrophobicContact CG-CD1 3.61Å; L462-F472 HydrophobicContact CG-CE1 3.84Å; L462-F472 HydrophobicContact CG-CG 4.16Å; F463-F472 HydrophobicContact CD1-CD1 4.31Å; F463-F472 HydrophobicContact CD1-CE1 4.24Å; F463-F472 HydrophobicContact CE1-CD1 4.37Å; F463-F472 AromaticContact CE1-CE1 3.85Å; F463-F472 HydrophobicContact CE1-CE1 3.85Å; S470-F472 PolarHBondContact O-N 3.47Å; F472-I474 PolarHBondContact O-N 3.23Å; F472-R475 PolarHBondContact O-N 2.89Å; F472-L476 HydrophobicContact CE1-CB 4.36Å; F472-L476 HydrophobicContact CE1-CD2 4.02Å; F472-L476 WeakPolarHBondContact O-CB 3.41Å; F472-L476 PolarHBondContact O-N 3.16Å
473S94.9Very high94Very high13 Ų1339.4 Ų39.49%0.09117%0.174CC..Hα-helixtrans-59.2-49.5-179.6-82.70000113.5F463 S470 R475 L476 M477F463-S473 WeakPolarHBondContact CA-OG 3.43Å; F463-S473 WeakPolarHBondContact CB-OG 3.18Å; F463-S473 WeakPolarHBondContact CD1-OG 3.08Å; F463-S473 WeakPolarHBondContact O-CB 3.3Å; F463-S473 PolarHBondContact O-OG 3.4Å; S470-S473 WeakPolarHBondContact O-CB 3.21Å; S470-S473 PolarHBondContact O-N 3.36Å; S470-S473 VanDerWaalsContact O-N 3.12Å; S470-S473 PolarHBondContact OG-N 3.44Å; S470-S473 VanDerWaalsContact OG-N 3.09Å; S470-S473 PolarHBondContact OG-OG 3.15Å; S473-R475 PolarHBondContact O-N 3Å; S473-L476 PolarHBondContact O-N 3.4Å; S473-M477 WeakPolarHBondContact O-CB 3.45Å; S473-M477 WeakPolarHBondContact O-CG 3.34Å; S473-M477 PolarHBondContact O-N 3.48Å
474I92.7Very high94Very high38 Ų3838 Ų3820%0.19517%0.168CC..Hα-helixtrans-65.7-30.8-175.2-167.959.8000111.4A145 S470 Y471 F472 R478A145-I474 HydrophobicContact CB-CB 3.75Å; A145-I474 HydrophobicContact CB-CG1 4.21Å; A145-I474 HydrophobicContact CB-CG2 3.71Å; S470-I474 PolarHBondContact O-N 3.05Å; S470-I474 VanDerWaalsContact O-N 3.11Å; Y471-I474 WeakPolarHBondContact O-CG2 3.29Å; F472-I474 PolarHBondContact O-N 3.23Å; I474-R478 VanDerWaalsContact O-CG 3.27Å; I474-R478 WeakPolarHBondContact O-CG 3.37Å; I474-R478 PolarHBondContact O-N 3.46Å
475R90.6Very high94Very high41 Ų4132.5 Ų32.516%0.15515%0.148CC..Hα-helixtrans-79-41.2176.7-68.6-156.4179.7178.3-15.3112.3Y373 Y471 F472 S473 M477 R478 L479Y373-R475 VanDerWaalsContact CD1-NH1 3.32Å; Y373-R475 HydrophobicContact CE1-CB 3.75Å; Y373-R475 HydrophobicContact CE1-CG 4.11Å; Y373-R475 WeakPolarHBondContact OH-CB 3.35Å; Y373-R475 VanDerWaalsContact OH-CD 3.31Å; Y373-R475 WeakPolarHBondContact OH-CD 3.4Å; Y471-R475 HydrophobicContact CE1-CG 4.35Å; Y471-R475 WeakPolarHBondContact O-CG 3.12Å; Y471-R475 PolarHBondContact O-N 3.06Å; Y471-R475 PolarHBondContact OH-NE 3.5Å; Y471-R475 PolarHBondContact OH-NH2 3.09Å; F472-R475 PolarHBondContact O-N 2.89Å; S473-R475 PolarHBondContact O-N 3Å; R475-M477 PolarHBondContact O-N 2.79Å; R475-R478 PolarHBondContact O-N 3.19Å; R475-R478 VanDerWaalsContact O-N 3.08Å; R475-L479 WeakPolarHBondContact O-CG 3.45Å; R475-L479 PolarHBondContact O-N 3.02Å; R475-L479 VanDerWaalsContact O-N 3.13Å
476L93.3Very high94.1Very high3 Ų332.9 Ų32.92%0.01615%0.151CC..Hα-helixtrans-50.6-48.4169.4173.368.4000111.1V372 A389 V391 F463 F472 S473 R478 L479 A480 Y483V372-L476 HydrophobicContact CG1-CB 4.48Å; V372-L476 HydrophobicContact CG1-CD1 4.48Å; V372-L476 HydrophobicContact CG2-CD1 3.84Å; A389-L476 HydrophobicContact CB-CD1 3.25Å; V391-L476 HydrophobicContact CG2-CD1 4.35Å; V391-L476 HydrophobicContact CG2-CD2 4.39Å; F463-L476 HydrophobicContact CD1-CD2 4.38Å; F463-L476 HydrophobicContact CE1-CD2 3.8Å; F472-L476 HydrophobicContact CE1-CB 4.36Å; F472-L476 HydrophobicContact CE1-CD2 4.02Å; F472-L476 WeakPolarHBondContact O-CB 3.41Å; F472-L476 PolarHBondContact O-N 3.16Å; S473-L476 PolarHBondContact O-N 3.4Å; L476-R478 VanDerWaalsContact C-N 3.3Å; L476-R478 PolarHBondContact O-N 3.37Å; L476-L479 PolarHBondContact O-N 3.01Å; L476-A480 HydrophobicContact CD1-CB 4.04Å; L476-A480 WeakPolarHBondContact O-CB 3.24Å; L476-A480 PolarHBondContact O-N 3.46Å; L476-Y483 HydrophobicContact CD2-CD1 4.49Å; L476-Y483 HydrophobicContact CD2-CD2 4.28Å; L476-Y483 HydrophobicContact CD2-CG 4.17Å
477M91.8Very high94.2Very high43 Ų4330.5 Ų30.521%0.21214%0.142CC..Hα-helixtrans-61.5-32.7178.5-83.8-167.970.600115.2S473 R475 W504S473-M477 WeakPolarHBondContact O-CB 3.45Å; S473-M477 WeakPolarHBondContact O-CG 3.34Å; S473-M477 PolarHBondContact O-N 3.48Å; R475-M477 PolarHBondContact O-N 2.79Å; M477-W504 HydrophobicContact CE-CD2 4.15Å; M477-W504 HydrophobicContact CE-CE3 4.28Å; M477-W504 HydrophobicContact CE-CH2 3.11Å; M477-W504 HydrophobicContact CE-CZ2 2.88Å; M477-W504 HydrophobicContact CE-CZ3 3.79Å; M477-W504 HydrophobicContact SD-CH2 3.17Å; M477-W504 WeakPolarHBondContact SD-CH2 3.49Å; M477-W504 HydrophobicContact SD-CZ2 3.48Å; M477-W504 WeakPolarHBondContact SD-CZ2 3.46Å; M477-W504 HydrophobicContact SD-CZ3 4.05Å
478R89.5Confident94.4Very high183 Ų18324.4 Ų24.469%0.69112%0.115SC*.Hα-helixtrans-78.7-28.6179.6-75.9172.1-179.1-1742.5112.6I474 R475 L476I474-R478 VanDerWaalsContact O-CG 3.27Å; I474-R478 WeakPolarHBondContact O-CG 3.37Å; I474-R478 PolarHBondContact O-N 3.46Å; R475-R478 PolarHBondContact O-N 3.19Å; R475-R478 VanDerWaalsContact O-N 3.08Å; L476-R478 VanDerWaalsContact C-N 3.3Å; L476-R478 PolarHBondContact O-N 3.37Å
479L90.5Very high94.6Very high36 Ų3624.6 Ų24.619%0.18812%0.115CC..Hα-helixtrans-106.3-27.9-167.8-66.9174.9000113.5V372 Y373 A377 A387 R475 L476V372-L479 HydrophobicContact CG1-CB 4.09Å; V372-L479 HydrophobicContact CG1-CD1 3.88Å; V372-L479 WeakPolarHBondContact O-CD1 3.42Å; Y373-L479 HydrophobicContact CD1-CD1 4.32Å; Y373-L479 HydrophobicContact CE1-CD1 4.42Å; A377-L479 HydrophobicContact CB-CD1 4.11Å; A377-L479 HydrophobicContact CB-CD2 4.11Å; A387-L479 WeakPolarHBondContact CB-O 3.38Å; R475-L479 WeakPolarHBondContact O-CG 3.45Å; R475-L479 PolarHBondContact O-N 3.02Å; R475-L479 VanDerWaalsContact O-N 3.13Å; L476-L479 PolarHBondContact O-N 3.01Å
480A94.4Very high94.6Very high0 Ų023.1 Ų23.10%011%0.105CC..  trans-111.2125.6-177.200000111.3N69 L376 A389 L476 V482N69-A480 WeakPolarHBondContact CB-O 3.19Å; N69-A480 PolarHBondContact ND2-O 2.57Å; L376-A480 HydrophobicContact CD1-CB 4.12Å; A389-A480 HydrophobicContact CB-CB 3.67Å; L476-A480 HydrophobicContact CD1-CB 4.04Å; L476-A480 WeakPolarHBondContact O-CB 3.24Å; L476-A480 PolarHBondContact O-N 3.46Å; A480-V482 VanDerWaalsContact C-N 3.34Å
481D95.2Very high94.4Very high15 Ų1526.3 Ų26.38%0.0812%0.119CC..SBendtrans-66.5-39.9172.7-66.3-66.8000111.6N69 N70 R386 A387N69-D481 PolarHBondContact N-O 3Å; N70-D481 HydrophobicContact CB-CB 4.27Å; N70-D481 VanDerWaalsContact CB-OD1 3.29Å; N70-D481 WeakPolarHBondContact CB-OD1 3.4Å; N70-D481 PolarHBondContact N-O 3.19Å; N70-D481 VanDerWaalsContact N-O 3.1Å; N70-D481 PolarHBondContact ND2-OD1 3.12Å; R386-D481 WeakPolarHBondContact CA-OD2 3.42Å; R386-D481 WeakPolarHBondContact CB-OD2 3.25Å; R386-D481 IonicContact CZ-OD1 3.96Å; R386-D481 IonicContact CZ-OD2 3.86Å; R386-D481 VanDerWaalsContact NE-CG 3.26Å; R386-D481 IonicContact NE-OD1 3.37Å; R386-D481 PolarHBondContact NE-OD1 2.91Å; R386-D481 IonicContact NE-OD2 3.64Å; R386-D481 PolarHBondContact NE-OD2 3.11Å; R386-D481 IonicContact NH2-OD1 3.09Å; R386-D481 PolarHBondContact NH2-OD1 3.16Å; R386-D481 IonicContact NH2-OD2 3.91Å; R386-D481 PolarHBondContact NH2-OD2 2.78Å; A387-D481 PolarHBondContact N-OD2 2.68Å; A387-D481 WeakPolarHBondContact O-CB 3.33Å; A387-D481 PolarHBondContact O-N 3.25Å
482V97Very high94.5Very high1 Ų130.5 Ų30.51%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-133.5155.6175.9-650000110.6V66 F67 A68 L72 A387 G388 A389 A480 F499V66-V482 HydrophobicContact CG1-CB 3.79Å; V66-V482 HydrophobicContact CG1-CG1 4.12Å; V66-V482 HydrophobicContact CG1-CG2 4.29Å; F67-V482 CarbonylContact O-C 3.46Å; F67-V482 WeakPolarHBondContact O-CA 3.38Å; A68-V482 HydrophobicContact CB-CG1 4.21Å; L72-V482 HydrophobicContact CB-CG1 4.17Å; L72-V482 HydrophobicContact CD2-CB 4.34Å; L72-V482 HydrophobicContact CD2-CG1 3.61Å; L72-V482 HydrophobicContact CD2-CG2 3.74Å; A387-V482 PolarHBondContact O-N 2.9Å; G388-V482 CarbonylContact C-O 3.42Å; G388-V482 VanDerWaalsContact CA-O 3.3Å; G388-V482 WeakPolarHBondContact CA-O 3.35Å; A389-V482 PolarHBondContact N-O 3.18Å; A480-V482 VanDerWaalsContact C-N 3.34Å; V482-F499 HydrophobicContact CG1-CB 4.33Å; V482-F499 HydrophobicContact CG1-CD2 4.3Å; V482-F499 HydrophobicContact CG1-CG 4.3Å
483Y97.4Very high94.6Very high49 Ų4932.6 Ų32.619%0.19215%0.15CC..EExtended strand (participates in β ladder)trans-142.1151.217168-81.8000111.2F67 A389 L394 L476F67-Y483 HydrophobicContact CB-CD1 3.89Å; F67-Y483 HydrophobicContact CB-CD2 4.25Å; F67-Y483 HydrophobicContact CB-CE1 3.4Å; F67-Y483 HydrophobicContact CB-CE2 3.78Å; F67-Y483 HydrophobicContact CB-CG 4.29Å; F67-Y483 HydrophobicContact CD2-CD2 4.36Å; F67-Y483 AromaticContact CD2-CE2 3.91Å; F67-Y483 HydrophobicContact CD2-CE2 3.91Å; F67-Y483 HydrophobicContact CG-CE1 4.41Å; F67-Y483 HydrophobicContact CG-CE2 4Å; F67-Y483 AromaticContact CG-CZ 3.86Å; F67-Y483 PolarHBondContact N-O 3.45Å; F67-Y483 PolarHBondContact O-N 3.11Å; A389-Y483 CarbonylContact O-C 3.5Å; A389-Y483 WeakPolarHBondContact O-CA 3.45Å; L394-Y483 HydrophobicContact CD1-CE2 4.09Å; L394-Y483 HydrophobicContact CD2-CD2 3.8Å; L394-Y483 HydrophobicContact CD2-CE2 3.85Å; L476-Y483 HydrophobicContact CD2-CD1 4.49Å; L476-Y483 HydrophobicContact CD2-CD2 4.28Å; L476-Y483 HydrophobicContact CD2-CG 4.17Å
484T97.8Very high94.6Very high1 Ų134 Ų341%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-156.3168.5178.8-166.30000110.8S65 V66 A389 I390 V391 S486 N489S65-T484 PolarHBondContact O-OG1 3.35Å; V66-T484 HydrophobicContact CG2-CG2 4.31Å; A389-T484 PolarHBondContact O-N 2.59Å; I390-T484 WeakPolarHBondContact CA-O 3.42Å; I390-T484 HydrophobicContact CD1-CG2 3.84Å; V391-T484 PolarHBondContact N-O 3.33Å; T484-S486 WeakPolarHBondContact CG2-O 3.43Å; T484-N489 PolarHBondContact OG1-ND2 2.99Å
485S96.3Very high94.6Very high7 Ų734 Ų345%0.04917%0.167CC..SBendtrans-78.2-18.7179.754.30000114.6P63 V391 T395 N489P63-S485 PolarHBondContact O-OG 3.37Å; V391-S485 WeakPolarHBondContact O-CA 3.3Å; T395-S485 WeakPolarHBondContact OG1-CB 3.15Å; T395-S485 PolarHBondContact OG1-OG 3.38Å; S485-N489 PolarHBondContact OG-ND2 2.84Å
486S96.5Very high94.8Very high14 Ų1434.3 Ų34.310%0.09818%0.182CC..  trans-161.9142.9178.9178.80000110.5I90 T484 A488 N489I90-S486 WeakPolarHBondContact CD1-OG 3.37Å; T484-S486 WeakPolarHBondContact CG2-O 3.43Å; S486-A488 PolarHBondContact O-N 3.17Å; S486-A488 VanDerWaalsContact O-N 3.15Å; S486-A488 PolarHBondContact OG-N 3.38Å; S486-N489 PolarHBondContact N-ND2 3.3Å; S486-N489 VanDerWaalsContact O-CB 3.25Å; S486-N489 WeakPolarHBondContact O-CB 3.38Å; S486-N489 PolarHBondContact O-N 3.1Å; S486-N489 PolarHBondContact O-ND2 3.08Å
487V95.6Very high94.9Very high1 Ų137.6 Ų37.61%0.00620%0.197CC..G310 helixtrans-51.5-35.6169.7175.60000111.4F82 T87 L88 L259 F262 I390 N489 L490F82-V487 HydrophobicContact CD1-CG1 4.2Å; F82-V487 HydrophobicContact CD1-CG2 3.99Å; F82-V487 HydrophobicContact CE1-CB 4.45Å; F82-V487 HydrophobicContact CE1-CG1 3.54Å; F82-V487 HydrophobicContact CE1-CG2 4Å; F82-V487 HydrophobicContact CZ-CG1 4.27Å; T87-V487 HydrophobicContact CG2-CG2 4.3Å; L88-V487 HydrophobicContact CD2-CB 4.37Å; L88-V487 HydrophobicContact CD2-CG1 4.33Å; L88-V487 HydrophobicContact CD2-CG2 4.11Å; L259-V487 HydrophobicContact CD1-CB 3.95Å; L259-V487 HydrophobicContact CD1-CG1 3.67Å; F262-V487 HydrophobicContact CD1-CG1 3.97Å; F262-V487 HydrophobicContact CE1-CG1 3.86Å; I390-V487 HydrophobicContact CD1-CG2 3.61Å; I390-V487 HydrophobicContact CG1-CG2 3.9Å; V487-N489 PolarHBondContact O-N 3.19Å; V487-L490 HydrophobicContact CG1-CD1 4.22Å; V487-L490 WeakPolarHBondContact O-CB 3.49Å; V487-L490 PolarHBondContact O-N 3.16Å; V487-L490 VanDerWaalsContact O-CB 3.31Å
488A94.7Very high95.2Very high7 Ų738.5 Ų38.56%0.05820%0.2CC..G310 helixtrans-59.2-21.9-179.700000113.7N257 L259 S486 L490 F491N257-A488 WeakPolarHBondContact O-CB 3.36Å; L259-A488 HydrophobicContact CB-CB 4.12Å; S486-A488 PolarHBondContact O-N 3.17Å; S486-A488 VanDerWaalsContact O-N 3.15Å; S486-A488 PolarHBondContact OG-N 3.38Å; A488-L490 PolarHBondContact O-N 2.97Å; A488-F491 WeakPolarHBondContact O-CB 3.27Å; A488-F491 PolarHBondContact O-N 3.08Å; A488-F491 VanDerWaalsContact O-N 3.16Å
489N96.5Very high95.6Very high14 Ų1430.5 Ų30.58%0.07517%0.17CC..G310 helixtrans-64.7-24.9176-66.9-24.2000112.8T64 V66 T484 S485 S486 V487 F491 N492 Y493T64-N489 WeakPolarHBondContact CB-OD1 3.2Å; T64-N489 VanDerWaalsContact O-CB 3.31Å; T64-N489 WeakPolarHBondContact O-CB 3.47Å; V66-N489 HydrophobicContact CG2-CB 4.47Å; T484-N489 PolarHBondContact OG1-ND2 2.99Å; S485-N489 PolarHBondContact OG-ND2 2.84Å; S486-N489 PolarHBondContact N-ND2 3.3Å; S486-N489 VanDerWaalsContact O-CB 3.25Å; S486-N489 WeakPolarHBondContact O-CB 3.38Å; S486-N489 PolarHBondContact O-N 3.1Å; S486-N489 PolarHBondContact O-ND2 3.08Å; V487-N489 PolarHBondContact O-N 3.19Å; N489-F491 PolarHBondContact O-N 2.78Å; N489-N492 WeakPolarHBondContact O-CB 3.4Å; N489-N492 PolarHBondContact O-N 3.45Å; N489-N492 VanDerWaalsContact O-N 3.15Å; N489-N492 PolarHBondContact O-ND2 3.18Å; N489-N492 VanDerWaalsContact O-ND2 3.11Å; N489-Y493 WeakPolarHBondContact O-CD2 3.23Å; N489-Y493 WeakPolarHBondContact O-CE2 3.38Å
490L95.9Very high95.8Very high4 Ų435.9 Ų35.92%0.02119%0.189CC..G310 helixtrans-64.3-23.2176-67.9162.4000112.3V66 F262 F368 V487 A488 N492 Y493V66-L490 HydrophobicContact CG2-CD2 3.89Å; V66-L490 HydrophobicContact CG2-CG 4.4Å; F262-L490 HydrophobicContact CD2-CB 3.86Å; F262-L490 HydrophobicContact CE1-CB 4.26Å; F262-L490 HydrophobicContact CE1-CD1 3.96Å; F262-L490 HydrophobicContact CE2-CB 3.49Å; F262-L490 VanDerWaalsContact CE2-CB 3.49Å; F262-L490 HydrophobicContact CE2-CD1 4.31Å; F262-L490 HydrophobicContact CE2-CG 4.48Å; F262-L490 HydrophobicContact CG-CB 4.4Å; F262-L490 HydrophobicContact CZ-CB 3.71Å; F262-L490 HydrophobicContact CZ-CD1 3.65Å; F262-L490 HydrophobicContact CZ-CG 4.29Å; F368-L490 HydrophobicContact CE1-CD1 3.84Å; F368-L490 HydrophobicContact CE2-CD1 3.97Å; F368-L490 HydrophobicContact CZ-CD1 3.41Å; F368-L490 VanDerWaalsContact CZ-CD1 3.41Å; F368-L490 HydrophobicContact CZ-CD2 4.4Å; F368-L490 HydrophobicContact CZ-CG 4.49Å; V487-L490 HydrophobicContact CG1-CD1 4.22Å; V487-L490 WeakPolarHBondContact O-CB 3.49Å; V487-L490 PolarHBondContact O-N 3.16Å; V487-L490 VanDerWaalsContact O-CB 3.31Å; A488-L490 PolarHBondContact O-N 2.97Å; L490-N492 PolarHBondContact O-N 3.23Å; L490-N492 VanDerWaalsContact O-N 3.12Å; L490-Y493 PolarHBondContact O-N 3.13Å
491F94.2Very high95.6Very high69 Ų6937.5 Ų37.530%0.30320%0.202SC..G310 helixtrans-57.5-27.1173.9-177.8-114.9000112.9Q261 F262 R265 A488 N489 Y493Q261-F491 HydrophobicContact CB-CD2 3.76Å; Q261-F491 HydrophobicContact CB-CE2 3.3Å; Q261-F491 HydrophobicContact CB-CZ 3.8Å; Q261-F491 HydrophobicContact CG-CE2 4.31Å; Q261-F491 HydrophobicContact CG-CZ 4.36Å; F262-F491 HydrophobicContact CB-CB 4.19Å; F262-F491 HydrophobicContact CB-CD2 4.44Å; R265-F491 PolarHBondContact NH1-O 3.28Å; R265-F491 PolarHBondContact NH2-O 2.85Å; A488-F491 WeakPolarHBondContact O-CB 3.27Å; A488-F491 PolarHBondContact O-N 3.08Å; A488-F491 VanDerWaalsContact O-N 3.16Å; N489-F491 PolarHBondContact O-N 2.78Å; F491-Y493 PolarHBondContact O-N 3.07Å
492N94.9Very high95.2Very high99 Ų9947.3 Ų47.353%0.52924%0.238SC..G310 helixtrans-73.7-5.2179.1-59.1-48.2000113.7N489 L490N489-N492 WeakPolarHBondContact O-CB 3.4Å; N489-N492 PolarHBondContact O-N 3.45Å; N489-N492 VanDerWaalsContact O-N 3.15Å; N489-N492 PolarHBondContact O-ND2 3.18Å; N489-N492 VanDerWaalsContact O-ND2 3.11Å; L490-N492 PolarHBondContact O-N 3.23Å; L490-N492 VanDerWaalsContact O-N 3.12Å
493Y96.2Very high94.6Very high47 Ų4756.6 Ų56.618%0.18427%0.273CS..SBendtrans-119.7151.7-174.5-59.5-89000111.4S65 V66 R265 N489 L490 F491 Q497 F499S65-Y493 WeakPolarHBondContact CA-OH 3.23Å; V66-Y493 HydrophobicContact CB-CE2 4.02Å; V66-Y493 HydrophobicContact CG2-CD2 4.15Å; V66-Y493 HydrophobicContact CG2-CE2 3.6Å; V66-Y493 PolarHBondContact N-OH 3.03Å; R265-Y493 PolarHBondContact NH1-O 3.09Å; N489-Y493 WeakPolarHBondContact O-CD2 3.23Å; N489-Y493 WeakPolarHBondContact O-CE2 3.38Å; L490-Y493 PolarHBondContact O-N 3.13Å; F491-Y493 PolarHBondContact O-N 3.07Å; Y493-Q497 HydrophobicContact CD1-CG 3.82Å; Y493-Q497 HydrophobicContact CG-CG 4.31Å; Y493-F499 AromaticContact CD1-CZ 3.93Å; Y493-F499 HydrophobicContact CG-CZ 3.92Å; Y493-F499 AromaticContact CG-CZ 3.92Å; Y493-F499 HydrophobicContact CG-CE1 4.25Å; Y493-F499 HydrophobicContact CE2-CE1 4.49Å; Y493-F499 HydrophobicContact CE1-CZ 4.21Å; Y493-F499 AromaticContact CE1-CE1 3.68Å; Y493-F499 HydrophobicContact CD2-CZ 4.25Å; Y493-F499 HydrophobicContact CD1-CZ 3.93Å; Y493-F499 AromaticContact CD1-CE1 3.81Å; Y493-F499 HydrophobicContact CD1-CE1 3.81Å; Y493-F499 HydrophobicContact CE1-CE1 3.68Å
494G94.7Very high93.9Very high41 Ų4161.8 Ų61.842%0.42329%0.292SS..  trans-70.9158.5175.500000112.2G496 Q497G494-G496 PolarHBondContact O-N 3.14Å; G494-Q497 VanDerWaalsContact O-CB 3.26Å; G494-Q497 WeakPolarHBondContact O-CB 3.35Å; G494-Q497 PolarHBondContact O-N 3.07Å
495I93.4Very high93.3Very high40 Ų4064.8 Ų64.821%0.20531%0.308CS..THydrogen-bonded Turntrans-64.5-24.5-179.7-160.965.8000113.1L74 L266 N269 K271L74-I495 CarbonylContact C-O 3.55Å; L74-I495 VanDerWaalsContact CB-O 3.24Å; L74-I495 WeakPolarHBondContact CB-O 3.46Å; L266-I495 HydrophobicContact CD2-CD1 3.62Å; N269-I495 HydrophobicContact CB-CD1 4.5Å; N269-I495 HydrophobicContact CB-CG1 3.97Å; K271-I495 HydrophobicContact CG-CD1 4.18Å
496G94Very high92.9Very high46 Ų4668.6 Ų68.647%0.47433%0.328SS..THydrogen-bonded Turntrans-104.827.3172.800000113.2G494 K498G494-G496 PolarHBondContact O-N 3.14Å; G496-K498 PolarHBondContact O-N 3.46Å
497Q97.1Very high92.4Very high72 Ų7273.5 Ų73.534%0.33636%0.359SS..PPolyproline II helixtrans-63.8126.3176.3177.867.756.800109.9L74 Y493 G494 F499L74-Q497 WeakPolarHBondContact CB-O 3.48Å; L74-Q497 HydrophobicContact CD1-CB 4.17Å; L74-Q497 WeakPolarHBondContact CG-O 3.43Å; L74-Q497 PolarHBondContact N-O 3.34Å; Y493-Q497 HydrophobicContact CD1-CG 3.82Å; Y493-Q497 HydrophobicContact CG-CG 4.31Å; G494-Q497 VanDerWaalsContact O-CB 3.26Å; G494-Q497 WeakPolarHBondContact O-CB 3.35Å; G494-Q497 PolarHBondContact O-N 3.07Å; Q497-F499 HydrophobicContact CB-CE2 4.47Å; Q497-F499 HydrophobicContact CG-CD1 4.39Å; Q497-F499 HydrophobicContact CG-CD2 4.34Å; Q497-F499 HydrophobicContact CG-CE1 4.01Å; Q497-F499 HydrophobicContact CG-CE2 3.98Å; Q497-F499 HydrophobicContact CG-CZ 3.79Å
498K97.4Very high91.9Very high63 Ų6379.9 Ų79.927%0.27439%0.388SS..EExtended strand (participates in β ladder)trans-93.4124.5165.3-172.8163.2176.2170.50110.6E71 D73 G496 Y500E71-K498 WeakPolarHBondContact OE2-CE 3.47Å; E71-K498 IonicContact OE2-NZ 3.5Å; E71-K498 PolarHBondContact OE2-NZ 2.63Å; D73-K498 HydrophobicContact CB-CD 4.26Å; D73-K498 HydrophobicContact CB-CG 4.23Å; G496-K498 PolarHBondContact O-N 3.46Å; K498-Y500 HydrophobicContact CG-CE2 3.96Å; K498-Y500 HydrophobicContact CG-CE1 4.12Å; K498-Y500 HydrophobicContact CG-CD2 4.49Å; K498-Y500 HydrophobicContact CD-CE1 3.88Å; K498-Y500 HydrophobicContact CB-CE2 4.14Å; K498-Y500 HydrophobicContact CD-CE2 4.41Å
499F97.2Very high91.4Very high14 Ų1480.8 Ų80.86%0.06139%0.391CS..EExtended strand (participates in β ladder)trans-94.7134.3171.3-65.3-77000109.5V66 A68 E71 L72 L74 V482 Y493 Q497V66-F499 HydrophobicContact CB-CD1 4.47Å; V66-F499 HydrophobicContact CB-CE1 3.68Å; V66-F499 HydrophobicContact CB-CZ 3.92Å; V66-F499 HydrophobicContact CG1-CD1 4.22Å; V66-F499 HydrophobicContact CG1-CE1 3.76Å; V66-F499 HydrophobicContact CG1-CE2 4.33Å; V66-F499 HydrophobicContact CG1-CZ 3.82Å; V66-F499 HydrophobicContact CG2-CZ 4.34Å; A68-F499 HydrophobicContact CB-CB 3.93Å; E71-F499 VanDerWaalsContact CA-O 3.3Å; E71-F499 WeakPolarHBondContact CA-O 3.41Å; L72-F499 HydrophobicContact CB-CB 4.35Å; L72-F499 HydrophobicContact CB-CD2 4.48Å; L72-F499 HydrophobicContact CD2-CD2 4.33Å; L72-F499 PolarHBondContact N-O 2.77Å; L72-F499 PolarHBondContact O-N 2.95Å; L74-F499 HydrophobicContact CD1-CE2 3.86Å; L74-F499 HydrophobicContact CD2-CE2 4.26Å; L74-F499 HydrophobicContact CG-CD2 4.35Å; L74-F499 HydrophobicContact CG-CE2 3.93Å; V482-F499 HydrophobicContact CG1-CB 4.33Å; V482-F499 HydrophobicContact CG1-CD2 4.3Å; V482-F499 HydrophobicContact CG1-CG 4.3Å; Y493-F499 AromaticContact CD1-CZ 3.93Å; Y493-F499 HydrophobicContact CG-CZ 3.92Å; Y493-F499 AromaticContact CG-CZ 3.92Å; Y493-F499 HydrophobicContact CG-CE1 4.25Å; Y493-F499 HydrophobicContact CE2-CE1 4.49Å; Y493-F499 HydrophobicContact CE1-CZ 4.21Å; Y493-F499 AromaticContact CE1-CE1 3.68Å; Y493-F499 HydrophobicContact CD2-CZ 4.25Å; Y493-F499 HydrophobicContact CD1-CZ 3.93Å; Y493-F499 AromaticContact CD1-CE1 3.81Å; Y493-F499 HydrophobicContact CD1-CE1 3.81Å; Y493-F499 HydrophobicContact CE1-CE1 3.68Å; Q497-F499 HydrophobicContact CB-CE2 4.47Å; Q497-F499 HydrophobicContact CG-CD1 4.39Å; Q497-F499 HydrophobicContact CG-CD2 4.34Å; Q497-F499 HydrophobicContact CG-CE1 4.01Å; Q497-F499 HydrophobicContact CG-CE2 3.98Å; Q497-F499 HydrophobicContact CG-CZ 3.79Å
500Y95.7Very high90.2Very high149 Ų14982.1 Ų82.158%0.58440%0.402SS*.  trans-112.3129.6-179.5-63.2-87.8000110.1K498K498-Y500 HydrophobicContact CG-CE2 3.96Å; K498-Y500 HydrophobicContact CG-CE1 4.12Å; K498-Y500 HydrophobicContact CG-CD2 4.49Å; K498-Y500 HydrophobicContact CD-CE1 3.88Å; K498-Y500 HydrophobicContact CB-CE2 4.14Å; K498-Y500 HydrophobicContact CD-CE2 4.41Å
501A90.5Very high88.9Confident34 Ų3485.8 Ų85.828%0.28142%0.422SS..PPolyproline II helixtrans-70.5134.7167.100000109.4N69N69-A501 VanDerWaalsContact O-CB 3.27Å; N69-A501 WeakPolarHBondContact O-CB 3.25Å
502R86Confident87.8Confident222 Ų22289 Ų8984%0.83844%0.441SS*.PPolyproline II helixtrans-77.7138.2171.4-65.7-175.9179.8-177.80.9108.6W504R502-W504 VanDerWaalsContact O-CD1 3.24Å; R502-W504 PolarHBondContact O-N 3.01Å
503R85.3Confident86Confident195 Ų19589.7 Ų89.774%0.73644%0.444SS*.PPolyproline II helixtrans-58.6123.5174.1-178.1177.4176.1-177.62.8109.6E509R503-E509 IonicContact CZ-OE1 3.47Å; R503-E509 IonicContact NE-OE1 3.38Å; R503-E509 IonicContact NH2-OE1 2.82Å; R503-E509 PolarHBondContact NH2-OE1 3.41Å; R503-E509 IonicContact NH2-OE2 3.64Å
504W82.3Confident84.1Confident158 Ų15894 Ų9460%0.59846%0.461SS*.PPolyproline II helixtrans-74.9125.8170.7-74.255.5000107.8M477 R502M477-W504 HydrophobicContact CE-CD2 4.15Å; M477-W504 HydrophobicContact CE-CE3 4.28Å; M477-W504 HydrophobicContact CE-CH2 3.11Å; M477-W504 HydrophobicContact CE-CZ2 2.88Å; M477-W504 HydrophobicContact CE-CZ3 3.79Å; M477-W504 HydrophobicContact SD-CH2 3.17Å; M477-W504 WeakPolarHBondContact SD-CH2 3.49Å; M477-W504 HydrophobicContact SD-CZ2 3.48Å; M477-W504 WeakPolarHBondContact SD-CZ2 3.46Å; M477-W504 HydrophobicContact SD-CZ3 4.05Å; R502-W504 VanDerWaalsContact O-CD1 3.24Å; R502-W504 PolarHBondContact O-N 3.01Å
505L85.1Confident81.8Confident64 Ų6496 Ų9634%0.33547%0.467SS..PPolyproline II helixtrans-78.3126173.3-63169.8000108.8E509 L513 Y514L505-E509 WeakPolarHBondContact CA-OE2 3.44Å; L505-E509 HydrophobicContact CB-CB 4.36Å; L505-E509 HydrophobicContact CD2-CB 4.1Å; L505-L513 HydrophobicContact CD1-CB 4.46Å; L505-L513 HydrophobicContact CG-CD1 4.2Å; L505-L513 HydrophobicContact CD2-CG 4.23Å; L505-L513 VanDerWaalsContact CD2-CD1 3.42Å; L505-L513 HydrophobicContact CD2-CD1 3.42Å; L505-L513 HydrophobicContact CD1-CD1 3.89Å; L505-Y514 HydrophobicContact CD1-CD2 4.33Å; L505-Y514 HydrophobicContact CD1-CE2 3.9Å
506L88.6Confident79.6Confident88 Ų8897.1 Ų97.146%0.46147%0.473SS..PPolyproline II helixtrans-67.1155.4166.5-58.4176.6000109.2H508 E509 S510L506-H508 VanDerWaalsContact CD1-CE1 3.48Å; L506-H508 WeakPolarHBondContact CD1-CE1 3.41Å; L506-H508 PolarHBondContact O-N 3.07Å; L506-E509 PolarHBondContact O-N 2.96Å; L506-E509 PolarHBondContact N-OE2 2.99Å; L506-E509 WeakPolarHBondContact O-CB 3.42Å; L506-E509 HydrophobicContact CB-CG 3.98Å; L506-E509 WeakPolarHBondContact O-CA 3.36Å; L506-S510 PolarHBondContact O-N 3.39Å
507P84.4Confident77.2Confident117 Ų11796.3 Ų96.376%0.7646%0.458SS*.THydrogen-bonded Turntrans-56.6-25.9-178.6-28.836.2000115.3S510P507-S510 PolarHBondContact O-OG 2.68Å
508H86.5Confident74.6Confident134 Ų13495.1 Ų95.162%0.6245%0.451SS*.THydrogen-bonded Turntrans-89.7-3.6175.561.5-94.7000113.6L506L506-H508 VanDerWaalsContact CD1-CE1 3.48Å; L506-H508 WeakPolarHBondContact CD1-CE1 3.41Å; L506-H508 PolarHBondContact O-N 3.07Å
509E83.5Confident71.8Confident26 Ų2695.8 Ų95.812%0.12146%0.46CS..THydrogen-bonded Turntrans-97.4-14.3176.5-63.1177.7145.400112.2R503 L505 L506 D511 L512R503-E509 IonicContact CZ-OE1 3.47Å; R503-E509 IonicContact NE-OE1 3.38Å; R503-E509 IonicContact NH2-OE1 2.82Å; R503-E509 PolarHBondContact NH2-OE1 3.41Å; R503-E509 IonicContact NH2-OE2 3.64Å; L505-E509 WeakPolarHBondContact CA-OE2 3.44Å; L505-E509 HydrophobicContact CB-CB 4.36Å; L505-E509 HydrophobicContact CD2-CB 4.1Å; L506-E509 PolarHBondContact O-N 2.96Å; L506-E509 PolarHBondContact N-OE2 2.99Å; L506-E509 WeakPolarHBondContact O-CB 3.42Å; L506-E509 HydrophobicContact CB-CG 3.98Å; L506-E509 WeakPolarHBondContact O-CA 3.36Å; E509-D511 PolarHBondContact O-N 3.26Å; E509-L512 WeakPolarHBondContact O-CB 2.86Å; E509-L512 PolarHBondContact O-N 3.44Å; E509-L512 VanDerWaalsContact O-N 3.12Å
510S72Confident70.5Confident43 Ų4399.9 Ų99.930%0.30148%0.48SS..Hα-helixtrans-54.1-42.3179.648.80000111.8L506 P507 L512 L513 Y514L506-S510 PolarHBondContact O-N 3.39Å; P507-S510 PolarHBondContact O-OG 2.68Å; S510-L512 PolarHBondContact O-N 3.41Å; S510-L513 PolarHBondContact O-N 2.58Å; S510-Y514 PolarHBondContact O-N 2.94Å
511D67.1Low69.2Low81 Ų8197.3 Ų97.343%0.43347%0.474SS..Hα-helixtrans-73.2-15.7-174-57.82.4000111.9E509 P515E509-D511 PolarHBondContact O-N 3.26Å; D511-P515 WeakPolarHBondContact O-CA 3.41Å
512L71.3Confident68Low136 Ų136100.8 Ų100.871%0.71249%0.485SS*.Hα-helixtrans-80.7-34.6178.3-61.1175.6000112.5E509 S510E509-L512 WeakPolarHBondContact O-CB 2.86Å; E509-L512 PolarHBondContact O-N 3.44Å; E509-L512 VanDerWaalsContact O-N 3.12Å; S510-L512 PolarHBondContact O-N 3.41Å
513L57.5Low67Low113 Ų11393.6 Ų93.659%0.59246%0.464SS*.Hα-helixtrans-101.5-27.2-177.7-69.9-174.2000113.3L505 S510 P515L505-L513 HydrophobicContact CD1-CB 4.46Å; L505-L513 HydrophobicContact CG-CD1 4.2Å; L505-L513 HydrophobicContact CD2-CG 4.23Å; L505-L513 VanDerWaalsContact CD2-CD1 3.42Å; L505-L513 HydrophobicContact CD2-CD1 3.42Å; L505-L513 HydrophobicContact CD1-CD1 3.89Å; S510-L513 PolarHBondContact O-N 2.58Å; L513-P515 WeakPolarHBondContact O-CD 3.37Å
514Y56.7Low65.8Low138 Ų13887.3 Ų87.354%0.54145%0.447SS..SBendtrans-123.665171.7-53.1-73.4000106.5L505 S510 N516 L517L505-Y514 HydrophobicContact CD1-CD2 4.33Å; L505-Y514 HydrophobicContact CD1-CE2 3.9Å; S510-Y514 PolarHBondContact O-N 2.94Å; Y514-N516 WeakPolarHBondContact O-CA 3.26Å; Y514-N516 PolarHBondContact O-N 3.06Å; Y514-L517 HydrophobicContact CD1-CD1 4.37Å
515P46.1Very low64.7Low82 Ų8282.6 Ų82.653%0.53244%0.437SS..SBendtrans-51111.7173.123.3-32000105.3D511 L513 L517D511-P515 WeakPolarHBondContact O-CA 3.41Å; L513-P515 WeakPolarHBondContact O-CD 3.37Å; P515-L517 PolarHBondContact O-N 3.36Å
516N47.2Very low63.3Low65 Ų6583.9 Ų83.935%0.34844%0.444SS..  trans-30.7111.4-144.6-70.9-66.7000111.4L23 Y514 Y518 V519L23-N516 VanDerWaalsContact CD2-O 3.25Å; L23-N516 WeakPolarHBondContact CD2-O 3.04Å; Y514-N516 WeakPolarHBondContact O-CA 3.26Å; Y514-N516 PolarHBondContact O-N 3.06Å; N516-Y518 PolarHBondContact O-N 2.68Å; N516-V519 HydrophobicContact CB-CB 3.51Å; N516-V519 HydrophobicContact CB-CG2 3.4Å; N516-V519 VanDerWaalsContact CB-CG2 3.4Å; N516-V519 VanDerWaalsContact CB-N 3.27Å; N516-V519 WeakPolarHBondContact ND2-CG2 3.38Å
517L43.1Very low61.3Low29 Ų2983.6 Ų83.615%0.15244%0.443CS..THydrogen-bonded Turntrans-59.57.9165.6-96.9157.8000112Q19 L23 Y514 P515Q19-L517 HydrophobicContact CB-CD2 3.85Å; Q19-L517 HydrophobicContact CG-CD1 4.4Å; Q19-L517 HydrophobicContact CG-CD2 3.94Å; L23-L517 HydrophobicContact CD1-CD2 3.61Å; L23-L517 HydrophobicContact CD1-CG 4.09Å; L23-L517 VanDerWaalsContact CD2-C 3.43Å; L23-L517 VanDerWaalsContact CD2-CA 3.4Å; L23-L517 HydrophobicContact CD2-CB 4.49Å; L23-L517 HydrophobicContact CD2-CD2 4.2Å; L23-L517 HydrophobicContact CG-CD2 3.69Å; L23-L517 HydrophobicContact CG-CG 4.44Å; Y514-L517 HydrophobicContact CD1-CD1 4.37Å; P515-L517 PolarHBondContact O-N 3.36Å
518Y43.5Very low59.4Low46 Ų4680.8 Ų80.818%0.1842%0.417CS..THydrogen-bonded Turntrans-161.422.5-159.5-51.4-72.8000114.8M48 A415 S418 N516M48-Y518 HydrophobicContact CE-CD1 3.35Å; M48-Y518 HydrophobicContact CE-CE1 3.43Å; M48-Y518 VanDerWaalsContact CE-CE1 3.43Å; A415-Y518 HydrophobicContact CB-CD1 4.42Å; A415-Y518 HydrophobicContact CB-CE1 4.06Å; S418-Y518 VanDerWaalsContact CB-CB 3.48Å; N516-Y518 PolarHBondContact O-N 2.68Å
519V38.2Very low56.9Low77 Ų7776 Ų7647%0.46740%0.398SS..  trans-109.60162.51710000109.3F26 R422 N516F26-V519 WeakPolarHBondContact CD1-O 3.19Å; F26-V519 WeakPolarHBondContact CE1-O 3.38Å; R422-V519 PolarHBondContact NH1-OXT 3.03Å; R422-V519 PolarHBondContact NH2-OXT 2.97Å; N516-V519 HydrophobicContact CB-CB 3.51Å; N516-V519 HydrophobicContact CB-CG2 3.4Å; N516-V519 VanDerWaalsContact CB-CG2 3.4Å; N516-V519 VanDerWaalsContact CB-N 3.27Å; N516-V519 WeakPolarHBondContact ND2-CG2 3.38Å

Retrieved 519 of 519 residues in 218.4 ms (Link to these results)

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