G4VHP1_SCHMA Loading...

Putative cullin

AlphaFold DB , UniProt , Accession G4VHP1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 126 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
1M72.9Confident85.5Confident78 Ų78112.7 Ų112.738%0.38454%0.535SS..  013.50-107.9-47.3-172.300113.6F4 M39 K42 L43M1-F4 HydrophobicContact CE-CB 4.23Å; M1-F4 HydrophobicContact CE-CD1 4.01Å; M1-F4 HydrophobicContact CE-CD2 4.5Å; M1-F4 HydrophobicContact CE-CG 3.98Å; M1-F4 HydrophobicContact SD-CB 3.23Å; M1-F4 WeakPolarHBondContact SD-CB 3.31Å; M1-F4 HydrophobicContact SD-CD1 3.83Å; M1-F4 HydrophobicContact SD-CG 3.62Å; M1-M39 HydrophobicContact CE-CE 3.44Å; M1-M39 VanDerWaalsContact CE-CE 3.44Å; M1-M39 HydrophobicContact CE-SD 3.94Å; M1-K42 HydrophobicContact CG-CB 3.69Å; M1-K42 HydrophobicContact CG-CD 4.49Å; M1-L43 HydrophobicContact CE-CB 4.46Å; M1-L43 HydrophobicContact CE-CD2 3.23Å; M1-L43 HydrophobicContact CE-CG 3.51Å
2N76.6Confident86.1Confident122 Ų122108.7 Ų108.765%0.65252%0.523SS*.THydrogen-bonded Turntrans-72.3-40.9-177.3-68.7-16.8000112.7F4 R5 Y6N2-F4 VanDerWaalsContact C-N 3.27Å; N2-F4 PolarHBondContact O-N 3.09Å; N2-R5 WeakPolarHBondContact O-CB 3.31Å; N2-R5 PolarHBondContact O-N 3.26Å; N2-Y6 VanDerWaalsContact O-CD2 3.31Å; N2-Y6 WeakPolarHBondContact O-CD2 3.48Å; N2-Y6 VanDerWaalsContact O-CE2 3.31Å; N2-Y6 WeakPolarHBondContact O-CE2 3.2Å
3V84.9Confident86.6Confident118 Ų118104.5 Ų104.572%0.71550%0.501SS*.G310 helixtrans-60.9-37-179.7-175.40000112R5 Y6V3-R5 PolarHBondContact O-N 3.28Å; V3-Y6 PolarHBondContact O-N 3.3Å; V3-Y6 VanDerWaalsContact O-N 3.09Å
4F85.5Confident87.1Confident13 Ų13100.6 Ų100.66%0.05748%0.482CS..G310 helixtrans-62.5-25.4-178.9-173.7-107.5000113.5M1 N2 Y6 I7 F13 L43 A46 C47 Y51M1-F4 HydrophobicContact CE-CB 4.23Å; M1-F4 HydrophobicContact CE-CD1 4.01Å; M1-F4 HydrophobicContact CE-CD2 4.5Å; M1-F4 HydrophobicContact CE-CG 3.98Å; M1-F4 HydrophobicContact SD-CB 3.23Å; M1-F4 WeakPolarHBondContact SD-CB 3.31Å; M1-F4 HydrophobicContact SD-CD1 3.83Å; M1-F4 HydrophobicContact SD-CG 3.62Å; N2-F4 VanDerWaalsContact C-N 3.27Å; N2-F4 PolarHBondContact O-N 3.09Å; F4-Y6 PolarHBondContact O-N 3.18Å; F4-I7 HydrophobicContact CD2-CD1 3.86Å; F4-I7 HydrophobicContact CE2-CD1 4.38Å; F4-I7 PolarHBondContact O-N 3.19Å; F4-F13 HydrophobicContact CD2-CD1 4.33Å; F4-F13 HydrophobicContact CD2-CD2 4.47Å; F4-F13 HydrophobicContact CD2-CE1 4.23Å; F4-F13 HydrophobicContact CD2-CE2 4.38Å; F4-F13 HydrophobicContact CD2-CG 4.44Å; F4-F13 HydrophobicContact CD2-CZ 4.25Å; F4-F13 HydrophobicContact CE2-CB 4.29Å; F4-F13 AromaticContact CE2-CD1 3.33Å; F4-F13 HydrophobicContact CE2-CD1 3.33Å; F4-F13 HydrophobicContact CE2-CD2 4.08Å; F4-F13 AromaticContact CE2-CE1 3.51Å; F4-F13 HydrophobicContact CE2-CE1 3.51Å; F4-F13 HydrophobicContact CE2-CE2 4.24Å; F4-F13 AromaticContact CE2-CG 3.63Å; F4-F13 HydrophobicContact CE2-CG 3.63Å; F4-F13 AromaticContact CE2-CZ 3.97Å; F4-F13 HydrophobicContact CE2-CZ 3.97Å; F4-F13 AromaticContact CZ-CD1 3.91Å; F4-F13 HydrophobicContact CZ-CD1 3.91Å; F4-F13 HydrophobicContact CZ-CE1 4.1Å; F4-L43 HydrophobicContact CD1-CD2 4.25Å; F4-L43 HydrophobicContact CE1-CD2 3.68Å; F4-L43 HydrophobicContact CE2-CD2 4.09Å; F4-L43 HydrophobicContact CZ-CD2 3.62Å; F4-A46 HydrophobicContact CD1-CB 4.17Å; F4-A46 HydrophobicContact CE1-CB 4.32Å; F4-C47 VanDerWaalsContact CE1-SG 3.52Å; F4-Y51 HydrophobicContact CZ-CE1 4.25Å
5R82.8Confident87.4Confident189 Ų189101.4 Ų101.471%0.71348%0.482SS*.G310 helixtrans-67.4-21.3178.2-58.5-177.891.6163.45.7112.6N2 V3N2-R5 WeakPolarHBondContact O-CB 3.31Å; N2-R5 PolarHBondContact O-N 3.26Å; V3-R5 PolarHBondContact O-N 3.28Å
6Y87.6Confident87.8Confident193 Ų193103.1 Ų103.176%0.75749%0.487SS*.G310 helixtrans-94.4-0.5-179.9-54.4-76.9000113.2N2 V3 F4N2-Y6 VanDerWaalsContact O-CD2 3.31Å; N2-Y6 WeakPolarHBondContact O-CD2 3.48Å; N2-Y6 VanDerWaalsContact O-CE2 3.31Å; N2-Y6 WeakPolarHBondContact O-CE2 3.2Å; V3-Y6 PolarHBondContact O-N 3.3Å; V3-Y6 VanDerWaalsContact O-N 3.09Å; F4-Y6 PolarHBondContact O-N 3.18Å
7I88.5Confident88.2Confident60 Ų6098.8 Ų98.831%0.30847%0.466SS..  trans-80.5121.2175-60.5-176000108.5F4 F13F4-I7 HydrophobicContact CD2-CD1 3.86Å; F4-I7 HydrophobicContact CE2-CD1 4.38Å; F4-I7 PolarHBondContact O-N 3.19Å; I7-F13 HydrophobicContact CD1-CD2 4.47Å
8E87.8Confident88.4Confident181 Ų18193.9 Ų93.985%0.84644%0.444SS*.SBendtrans-76-48.6175.1-64.8-175.4167.600110.9K10E8-K10 VanDerWaalsContact C-N 3.3Å; E8-K10 PolarHBondContact O-N 3.14Å
9D91.9Very high88.6Confident105 Ų10593.6 Ų93.656%0.56144%0.441SS*.  trans-82.164.7-177-60.3-36.5000113.3D11 V12 F13D9-D11 VanDerWaalsContact C-N 3.31Å; D9-D11 PolarHBondContact O-N 3.46Å; D9-V12 HydrophobicContact CB-CB 3.97Å; D9-V12 HydrophobicContact CB-CG2 3.84Å; D9-V12 PolarHBondContact O-N 3.4Å; D9-F13 PolarHBondContact O-N 3.15Å; D9-F13 VanDerWaalsContact O-N 3.14Å
10K90.9Very high88.9Confident76 Ų7692.2 Ų92.233%0.3344%0.439SS..Hα-helixtrans-64.5-33.2-177.6-70177.8178.2171.80113.2E8 F13 Q14 Y51E8-K10 VanDerWaalsContact C-N 3.3Å; E8-K10 PolarHBondContact O-N 3.14Å; K10-F13 PolarHBondContact O-N 3.25Å; K10-Q14 WeakPolarHBondContact O-CB 3.45Å; K10-Q14 PolarHBondContact O-N 3.25Å; K10-Y51 HydrophobicContact CB-CE2 3.99Å; K10-Y51 PolarHBondContact O-OH 3.44Å
11D91.6Very high89.1Confident105 Ų10587.8 Ų87.856%0.56142%0.418SS*.Hα-helixtrans-65.7-40.7175.958.8-27.9000112.1D9 Q14 K15D9-D11 VanDerWaalsContact C-N 3.31Å; D9-D11 PolarHBondContact O-N 3.46Å; D11-Q14 WeakPolarHBondContact O-CB 3.23Å; D11-Q14 PolarHBondContact O-N 2.92Å; D11-K15 PolarHBondContact O-N 3.31Å
12V92.3Very high89.9Confident64 Ų6484.1 Ų84.139%0.38840%0.4SS..Hα-helixtrans-62-49173.3-1790000109.8D9 Q14 K15 F16D9-V12 HydrophobicContact CB-CB 3.97Å; D9-V12 HydrophobicContact CB-CG2 3.84Å; D9-V12 PolarHBondContact O-N 3.4Å; V12-Q14 VanDerWaalsContact C-N 3.31Å; V12-Q14 PolarHBondContact O-N 3.16Å; V12-K15 PolarHBondContact O-N 3.26Å; V12-F16 HydrophobicContact CG1-CD2 3.8Å; V12-F16 HydrophobicContact CG1-CE2 3.6Å; V12-F16 WeakPolarHBondContact O-CD2 3.26Å; V12-F16 PolarHBondContact O-N 2.98Å; V12-F16 VanDerWaalsContact O-N 3.15Å
13F92.9Very high90.6Very high54 Ų5483.5 Ų83.524%0.23739%0.389CS..Hα-helixtrans-56.1-46.9174.1175.9-88.4000111.6F4 I7 D9 K10 K15 F16 Y17 M39 L43 Y51F4-F13 HydrophobicContact CD2-CD1 4.33Å; F4-F13 HydrophobicContact CD2-CD2 4.47Å; F4-F13 HydrophobicContact CD2-CE1 4.23Å; F4-F13 HydrophobicContact CD2-CE2 4.38Å; F4-F13 HydrophobicContact CD2-CG 4.44Å; F4-F13 HydrophobicContact CD2-CZ 4.25Å; F4-F13 HydrophobicContact CE2-CB 4.29Å; F4-F13 AromaticContact CE2-CD1 3.33Å; F4-F13 HydrophobicContact CE2-CD1 3.33Å; F4-F13 HydrophobicContact CE2-CD2 4.08Å; F4-F13 AromaticContact CE2-CE1 3.51Å; F4-F13 HydrophobicContact CE2-CE1 3.51Å; F4-F13 HydrophobicContact CE2-CE2 4.24Å; F4-F13 AromaticContact CE2-CG 3.63Å; F4-F13 HydrophobicContact CE2-CG 3.63Å; F4-F13 AromaticContact CE2-CZ 3.97Å; F4-F13 HydrophobicContact CE2-CZ 3.97Å; F4-F13 AromaticContact CZ-CD1 3.91Å; F4-F13 HydrophobicContact CZ-CD1 3.91Å; F4-F13 HydrophobicContact CZ-CE1 4.1Å; I7-F13 HydrophobicContact CD1-CD2 4.47Å; D9-F13 PolarHBondContact O-N 3.15Å; D9-F13 VanDerWaalsContact O-N 3.14Å; K10-F13 PolarHBondContact O-N 3.25Å; F13-K15 VanDerWaalsContact C-N 3.28Å; F13-K15 PolarHBondContact O-N 2.68Å; F13-F16 PolarHBondContact O-N 3.43Å; F13-Y17 HydrophobicContact CE1-CD2 4.05Å; F13-Y17 AromaticContact CE1-CG 3.94Å; F13-Y17 HydrophobicContact CE1-CG 3.94Å; F13-Y17 HydrophobicContact CE2-CD2 4.44Å; F13-Y17 AromaticContact CZ-CD2 3.66Å; F13-Y17 HydrophobicContact CZ-CD2 3.66Å; F13-Y17 HydrophobicContact CZ-CE2 4.46Å; F13-Y17 HydrophobicContact CZ-CG 4.03Å; F13-Y17 VanDerWaalsContact O-CB 3.26Å; F13-Y17 WeakPolarHBondContact O-CB 3.21Å; F13-Y17 PolarHBondContact O-N 2.8Å; F13-M39 HydrophobicContact CZ-CE 4.43Å; F13-L43 HydrophobicContact CE1-CD1 4.46Å; F13-L43 HydrophobicContact CE1-CD2 3.83Å; F13-Y51 WeakPolarHBondContact CD1-OH 3.46Å
14Q92.6Very high91Very high50 Ų5080.6 Ų80.623%0.23437%0.365CS..Hα-helixtrans-58.5-42.7-178.5-161.8-173.30.900111.3K10 D11 V12 S18 Y51K10-Q14 WeakPolarHBondContact O-CB 3.45Å; K10-Q14 PolarHBondContact O-N 3.25Å; D11-Q14 WeakPolarHBondContact O-CB 3.23Å; D11-Q14 PolarHBondContact O-N 2.92Å; V12-Q14 VanDerWaalsContact C-N 3.31Å; V12-Q14 PolarHBondContact O-N 3.16Å; Q14-S18 WeakPolarHBondContact O-CB 3.34Å; Q14-S18 PolarHBondContact O-N 3.33Å; Q14-S18 PolarHBondContact O-OG 2.96Å; Q14-Y51 HydrophobicContact CB-CE1 4.38Å; Q14-Y51 HydrophobicContact CB-CE2 3.89Å; Q14-Y51 WeakPolarHBondContact CB-OH 3.47Å; Q14-Y51 HydrophobicContact CG-CD2 4.48Å; Q14-Y51 HydrophobicContact CG-CE1 4.11Å; Q14-Y51 HydrophobicContact CG-CE2 3.99Å; Q14-Y51 PolarHBondContact NE2-O 3.38Å
15K92Very high91.2Very high113 Ų11380.3 Ų80.349%0.49136%0.364SS..Hα-helixtrans-61.2-49.8178.6-174.3178.2179-179.50111.1D11 V12 F13 K19D11-K15 PolarHBondContact O-N 3.31Å; V12-K15 PolarHBondContact O-N 3.26Å; F13-K15 VanDerWaalsContact C-N 3.28Å; F13-K15 PolarHBondContact O-N 2.68Å; K15-K19 WeakPolarHBondContact O-CB 3.49Å; K15-K19 PolarHBondContact O-N 3.21Å; K15-K19 VanDerWaalsContact O-N 3.16Å
16F93.6Very high91.4Very high128 Ų12872.3 Ų72.356%0.56134%0.336SS*.Hα-helixtrans-68.2-44.1179.3-75.1-71.8000112.3V12 F13 S18 K19 T20V12-F16 HydrophobicContact CG1-CD2 3.8Å; V12-F16 HydrophobicContact CG1-CE2 3.6Å; V12-F16 WeakPolarHBondContact O-CD2 3.26Å; V12-F16 PolarHBondContact O-N 2.98Å; V12-F16 VanDerWaalsContact O-N 3.15Å; F13-F16 PolarHBondContact O-N 3.43Å; F16-S18 PolarHBondContact O-N 2.84Å; F16-K19 PolarHBondContact O-N 2.71Å; F16-T20 PolarHBondContact O-N 2.6Å; F16-T20 PolarHBondContact O-OG1 2.82Å
17Y94.3Very high91.3Very high30 Ų3069.7 Ų69.712%0.11833%0.326CS..Hα-helixtrans-61.3-47.4179.4-169.7-91.7000111.1F13 K19 T20 L21 M39 L43 L55F13-Y17 HydrophobicContact CE1-CD2 4.05Å; F13-Y17 AromaticContact CE1-CG 3.94Å; F13-Y17 HydrophobicContact CE1-CG 3.94Å; F13-Y17 HydrophobicContact CE2-CD2 4.44Å; F13-Y17 AromaticContact CZ-CD2 3.66Å; F13-Y17 HydrophobicContact CZ-CD2 3.66Å; F13-Y17 HydrophobicContact CZ-CE2 4.46Å; F13-Y17 HydrophobicContact CZ-CG 4.03Å; F13-Y17 VanDerWaalsContact O-CB 3.26Å; F13-Y17 WeakPolarHBondContact O-CB 3.21Å; F13-Y17 PolarHBondContact O-N 2.8Å; Y17-K19 PolarHBondContact O-N 2.89Å; Y17-T20 PolarHBondContact O-N 2.93Å; Y17-L21 HydrophobicContact CE1-CB 4.4Å; Y17-L21 HydrophobicContact CE1-CD2 4.24Å; Y17-L21 WeakPolarHBondContact O-CB 3.41Å; Y17-L21 PolarHBondContact O-N 3.49Å; Y17-M39 HydrophobicContact CE2-CE 4.15Å; Y17-M39 HydrophobicContact CE2-CG 4.2Å; Y17-M39 WeakPolarHBondContact OH-CG 3.39Å; Y17-L43 HydrophobicContact CD1-CD1 4.17Å; Y17-L43 HydrophobicContact CE1-CD1 3.96Å; Y17-L55 HydrophobicContact CD1-CD1 3.82Å; Y17-L55 HydrophobicContact CD1-CD2 3.99Å; Y17-L55 HydrophobicContact CE1-CD1 3.96Å; Y17-L55 HydrophobicContact CE1-CD2 4.38Å
18S92.6Very high91.2Very high11 Ų1170.3 Ų70.38%0.07733%0.33CS..Hα-helixtrans-57.5-46.6176.8-60.40000112Q14 F16 T20 L21 A22 L55Q14-S18 WeakPolarHBondContact O-CB 3.34Å; Q14-S18 PolarHBondContact O-N 3.33Å; Q14-S18 PolarHBondContact O-OG 2.96Å; F16-S18 PolarHBondContact O-N 2.84Å; S18-T20 VanDerWaalsContact C-N 3.32Å; S18-T20 PolarHBondContact O-N 3.36Å; S18-L21 PolarHBondContact O-N 2.97Å; S18-A22 WeakPolarHBondContact O-CB 3.39Å; S18-A22 PolarHBondContact O-N 3.42Å; S18-L55 WeakPolarHBondContact OG-CD2 3.08Å
19K92.4Very high91.3Very high89 Ų8967.3 Ų67.339%0.38732%0.315SS..Hα-helixtrans-62-41.4179-175.5178.7-174.8176.40111.9K15 F16 Y17 R23 L122K15-K19 WeakPolarHBondContact O-CB 3.49Å; K15-K19 PolarHBondContact O-N 3.21Å; K15-K19 VanDerWaalsContact O-N 3.16Å; F16-K19 PolarHBondContact O-N 2.71Å; Y17-K19 PolarHBondContact O-N 2.89Å; K19-R23 PolarHBondContact O-N 2.88Å; K19-L122 HydrophobicContact CG-CD2 4.15Å
20T93.2Very high91.2Very high65 Ų6563.6 Ų63.640%0.39930%0.298SS..Hα-helixtrans-73.8-40.8-177.6-39.50000110.9F16 Y17 S18 R23 R24F16-T20 PolarHBondContact O-N 2.6Å; F16-T20 PolarHBondContact O-OG1 2.82Å; Y17-T20 PolarHBondContact O-N 2.93Å; S18-T20 VanDerWaalsContact C-N 3.32Å; S18-T20 PolarHBondContact O-N 3.36Å; T20-R23 PolarHBondContact O-N 3.19Å; T20-R24 WeakPolarHBondContact O-CG 3.48Å; T20-R24 PolarHBondContact O-N 3.45Å
21L93Very high91.2Very high0 Ų067.2 Ų67.20%033%0.326CS..Hα-helixtrans-60.6-47173.6-179.165.1000111.2Y17 S18 R23 R24 L25 E36 I40 L55 M58Y17-L21 HydrophobicContact CE1-CB 4.4Å; Y17-L21 HydrophobicContact CE1-CD2 4.24Å; Y17-L21 WeakPolarHBondContact O-CB 3.41Å; Y17-L21 PolarHBondContact O-N 3.49Å; S18-L21 PolarHBondContact O-N 2.97Å; L21-R23 VanDerWaalsContact C-N 3.26Å; L21-R23 PolarHBondContact O-N 3.36Å; L21-R24 PolarHBondContact O-N 3.2Å; L21-R24 VanDerWaalsContact O-N 3.11Å; L21-L25 HydrophobicContact CD1-CD1 4.12Å; L21-L25 HydrophobicContact CD1-CD2 4.41Å; L21-L25 HydrophobicContact CD1-CG 4.04Å; L21-L25 HydrophobicContact CD2-CD1 4.41Å; L21-L25 HydrophobicContact CG-CD1 3.88Å; L21-L25 HydrophobicContact CG-CG 4.21Å; L21-L25 WeakPolarHBondContact O-CG 3.1Å; L21-L25 PolarHBondContact O-N 3.4Å; L21-E36 HydrophobicContact CD1-CG 4.49Å; L21-E36 WeakPolarHBondContact CD1-OE2 3.2Å; L21-I40 HydrophobicContact CD2-CD1 4.24Å; L21-L55 HydrophobicContact CD2-CB 4.17Å; L21-L55 HydrophobicContact CD2-CD2 3.79Å; L21-M58 HydrophobicContact CB-CE 4.4Å; L21-M58 HydrophobicContact CD2-CE 4.41Å; L21-M58 HydrophobicContact CG-CE 4.27Å
22A91.4Very high91.2Very high1 Ų164.2 Ų64.21%0.00831%0.313CS..Hα-helixtrans-53.8-47.5177.800000111.2S18 L25 V26 M58S18-A22 WeakPolarHBondContact O-CB 3.39Å; S18-A22 PolarHBondContact O-N 3.42Å; A22-L25 PolarHBondContact O-N 3.32Å; A22-V26 VanDerWaalsContact O-CG2 3.28Å; A22-V26 WeakPolarHBondContact O-CG2 3.48Å; A22-V26 PolarHBondContact O-N 3.28Å; A22-M58 HydrophobicContact CB-CE 3.35Å; A22-M58 VanDerWaalsContact N-CE 3.31Å
23R90.6Very high91.2Very high109 Ų10965 Ų6541%0.41131%0.313SS..Hα-helixtrans-60.7-48.4178.7-159-172.7-54.5-106.78.6111K19 T20 L21 L25 V26 Y27K19-R23 PolarHBondContact O-N 2.88Å; T20-R23 PolarHBondContact O-N 3.19Å; L21-R23 VanDerWaalsContact C-N 3.26Å; L21-R23 PolarHBondContact O-N 3.36Å; R23-L25 VanDerWaalsContact C-N 3.33Å; R23-L25 PolarHBondContact O-N 3.26Å; R23-V26 PolarHBondContact O-N 3.49Å; R23-Y27 HydrophobicContact CG-CD2 3.68Å; R23-Y27 HydrophobicContact CG-CE2 3.69Å; R23-Y27 WeakPolarHBondContact O-CD2 3.45Å; R23-Y27 PolarHBondContact O-N 2.9Å
24R93Very high91.3Very high56 Ų5668.7 Ų68.721%0.21134%0.335CS..Hα-helixtrans-61.1-42.2179.5-70.8-166.3-57.6-92.72.6112.3T20 L21 N28 Q29 E36T20-R24 WeakPolarHBondContact O-CG 3.48Å; T20-R24 PolarHBondContact O-N 3.45Å; L21-R24 PolarHBondContact O-N 3.2Å; L21-R24 VanDerWaalsContact O-N 3.11Å; R24-N28 CarbonylContact O-C 3.56Å; R24-N28 WeakPolarHBondContact O-CA 3.18Å; R24-N28 PolarHBondContact O-N 3.38Å; R24-Q29 HydrophobicContact CB-CB 4.42Å; R24-Q29 HydrophobicContact CG-CB 4.38Å; R24-Q29 PolarHBondContact O-N 3Å; R24-E36 IonicContact CZ-OE1 3.52Å; R24-E36 IonicContact CZ-OE2 3.84Å; R24-E36 IonicContact NE-OE1 2.82Å; R24-E36 PolarHBondContact NE-OE1 3.26Å; R24-E36 IonicContact NE-OE2 3.88Å; R24-E36 IonicContact NH2-OE1 3.36Å; R24-E36 PolarHBondContact NH2-OE1 2.94Å; R24-E36 IonicContact NH2-OE2 2.93Å; R24-E36 PolarHBondContact NH2-OE2 3.25Å
25L90.2Very high91.3Very high7 Ų769 Ų694%0.03735%0.346CS..Hα-helixtrans-66.3-44.2178.6-66.3177.1000112.2L21 A22 R23 N28 M58 F59 V62 M118L21-L25 HydrophobicContact CD1-CD1 4.12Å; L21-L25 HydrophobicContact CD1-CD2 4.41Å; L21-L25 HydrophobicContact CD1-CG 4.04Å; L21-L25 HydrophobicContact CD2-CD1 4.41Å; L21-L25 HydrophobicContact CG-CD1 3.88Å; L21-L25 HydrophobicContact CG-CG 4.21Å; L21-L25 WeakPolarHBondContact O-CG 3.1Å; L21-L25 PolarHBondContact O-N 3.4Å; A22-L25 PolarHBondContact O-N 3.32Å; R23-L25 VanDerWaalsContact C-N 3.33Å; R23-L25 PolarHBondContact O-N 3.26Å; L25-N28 PolarHBondContact O-N 3.42Å; L25-M58 HydrophobicContact CD1-CB 4.21Å; L25-M58 HydrophobicContact CD1-CE 4.38Å; L25-F59 HydrophobicContact CD1-CD2 4.07Å; L25-F59 HydrophobicContact CD2-CD2 4Å; L25-F59 HydrophobicContact CD2-CE2 3.77Å; L25-V62 HydrophobicContact CB-CG2 3.86Å; L25-V62 HydrophobicContact CD1-CG2 4.2Å; L25-V62 HydrophobicContact CG-CG2 4.49Å; L25-M118 HydrophobicContact CB-SD 4.36Å
26V86.3Confident91.4Very high22 Ų2264.4 Ų64.413%0.13333%0.326CS..Hα-helixtrans-63.4-44.3178.7171.80000112A22 R23 N28 I110 L115 M118A22-V26 VanDerWaalsContact O-CG2 3.28Å; A22-V26 WeakPolarHBondContact O-CG2 3.48Å; A22-V26 PolarHBondContact O-N 3.28Å; R23-V26 PolarHBondContact O-N 3.49Å; V26-N28 VanDerWaalsContact C-N 3.28Å; V26-N28 PolarHBondContact O-N 3.37Å; V26-I110 HydrophobicContact CB-CD1 4.32Å; V26-I110 HydrophobicContact CG1-CD1 4.13Å; V26-I110 WeakPolarHBondContact O-CD1 3.42Å; V26-L115 HydrophobicContact CG1-CD2 3.75Å; V26-L115 HydrophobicContact CG2-CD2 4.37Å; V26-M118 HydrophobicContact CG2-CB 4.01Å; V26-M118 HydrophobicContact CG2-CE 3.59Å; V26-M118 HydrophobicContact CG2-CG 4.34Å; V26-M118 HydrophobicContact CG2-SD 3.39Å; V26-M118 WeakPolarHBondContact CG2-SD 3.3Å
27Y87Confident91.5Very high138 Ų13860.3 Ų60.354%0.54132%0.316SS..THydrogen-bonded Turntrans-906.6-177.9-63.8-69.8000113.3R23 Q29R23-Y27 HydrophobicContact CG-CD2 3.68Å; R23-Y27 HydrophobicContact CG-CE2 3.69Å; R23-Y27 WeakPolarHBondContact O-CD2 3.45Å; R23-Y27 PolarHBondContact O-N 2.9Å; Y27-Q29 PolarHBondContact O-N 2.82Å
28N86.1Confident91.5Very high73 Ų7361.2 Ų61.239%0.3933%0.327SS..THydrogen-bonded Turntrans51.242.6-176.2-16382.6000112.3R24 L25 V26 R66 K108R24-N28 CarbonylContact O-C 3.56Å; R24-N28 WeakPolarHBondContact O-CA 3.18Å; R24-N28 PolarHBondContact O-N 3.38Å; L25-N28 PolarHBondContact O-N 3.42Å; V26-N28 VanDerWaalsContact C-N 3.28Å; V26-N28 PolarHBondContact O-N 3.37Å; N28-R66 PolarHBondContact OD1-NH2 2.9Å; N28-R66 VanDerWaalsContact OD1-NH2 3.08Å; N28-K108 PolarHBondContact ND2-NZ 2.89Å; N28-K108 PolarHBondContact OD1-NZ 3.4Å; N28-K108 VanDerWaalsContact OD1-NZ 3.13Å
29Q89.9Confident91.7Very high117 Ų11763.3 Ų63.355%0.54734%0.336SS..  trans-97.95.7-179.7-63.4173.4-0.100113R24 Y27R24-Q29 HydrophobicContact CB-CB 4.42Å; R24-Q29 HydrophobicContact CG-CB 4.38Å; R24-Q29 PolarHBondContact O-N 3Å; Y27-Q29 PolarHBondContact O-N 2.82Å
30S89.3Confident91.8Very high28 Ų2859.6 Ų59.620%0.19632%0.32CS..  trans-70.6131.1173.3-69.30000110.1E36S30-E36 WeakPolarHBondContact CB-OE1 3.4Å; S30-E36 PolarHBondContact OG-OE1 3.11Å
31V90.6Very high91.9Very high151 Ų15159.3 Ų59.392%0.91532%0.321SS*.SBendtrans-68.8-40.5-179.5177.60000111.4
32S92.6Very high92Very high42 Ų4263.8 Ų63.829%0.29434%0.34SS..  trans-151.7134178.7161.20000108.9D34 A35 E36S32-D34 PolarHBondContact OG-N 3.36Å; S32-A35 PolarHBondContact O-N 3.01Å; S32-A35 PolarHBondContact OG-N 3.28Å; S32-A35 VanDerWaalsContact OG-N 3.14Å; S32-E36 WeakPolarHBondContact O-CG 3.39Å; S32-E36 PolarHBondContact O-N 3.01Å
33E91.5Very high92.2Very high81 Ų8163.8 Ų63.838%0.37934%0.34SS..Hα-helixtrans-69.8-37.3176.5-67.7-179.6-164.200111.5A35 E36 A37 F59 R66E33-A35 VanDerWaalsContact C-N 3.28Å; E33-A35 PolarHBondContact O-N 3.35Å; E33-E36 PolarHBondContact O-N 2.77Å; E33-A37 WeakPolarHBondContact O-CB 3.33Å; E33-A37 PolarHBondContact O-N 2.73Å; E33-F59 HydrophobicContact CB-CE1 4.49Å; E33-F59 HydrophobicContact CB-CZ 4.16Å; E33-F59 WeakPolarHBondContact O-CZ 3.38Å; E33-R66 IonicContact OE1-CZ 3.06Å; E33-R66 IonicContact OE1-NH1 2.63Å; E33-R66 PolarHBondContact OE1-NH1 3.3Å; E33-R66 IonicContact OE1-NH2 2.79Å; E33-R66 PolarHBondContact OE1-NH2 2.81Å; E33-R66 IonicContact OE2-NH1 3.09Å; E33-R66 PolarHBondContact OE2-NH1 3.4Å; E33-R66 VanDerWaalsContact OE2-NH1 3.09Å
34D94.3Very high92.4Very high132 Ų13262.7 Ų62.771%0.70634%0.338SS*.Hα-helixtrans-61.7-38.2173.6-59.3-50000111.5S32 A37 S38S32-D34 PolarHBondContact OG-N 3.36Å; D34-A37 PolarHBondContact O-N 3.09Å; D34-S38 WeakPolarHBondContact O-CB 3.45Å; D34-S38 PolarHBondContact O-N 2.95Å
35A94.4Very high92.5Very high56 Ų5667.3 Ų67.346%0.46336%0.362SS..Hα-helixtrans-65.1-43.5176.200000111.8S32 E33 S38 M39S32-A35 PolarHBondContact O-N 3.01Å; S32-A35 PolarHBondContact OG-N 3.28Å; S32-A35 VanDerWaalsContact OG-N 3.14Å; E33-A35 VanDerWaalsContact C-N 3.28Å; E33-A35 PolarHBondContact O-N 3.35Å; A35-S38 PolarHBondContact O-N 2.92Å; A35-M39 WeakPolarHBondContact O-CB 3.37Å; A35-M39 PolarHBondContact O-N 3.47Å
36E93.9Very high92.5Very high17 Ų1769 Ų698%0.07938%0.378CS..Hα-helixtrans-65.9-43.8176.6-60.9-84.7-160.700110.9L21 R24 S30 S32 E33 M39 I40 F59L21-E36 HydrophobicContact CD1-CG 4.49Å; L21-E36 WeakPolarHBondContact CD1-OE2 3.2Å; R24-E36 IonicContact CZ-OE1 3.52Å; R24-E36 IonicContact CZ-OE2 3.84Å; R24-E36 IonicContact NE-OE1 2.82Å; R24-E36 PolarHBondContact NE-OE1 3.26Å; R24-E36 IonicContact NE-OE2 3.88Å; R24-E36 IonicContact NH2-OE1 3.36Å; R24-E36 PolarHBondContact NH2-OE1 2.94Å; R24-E36 IonicContact NH2-OE2 2.93Å; R24-E36 PolarHBondContact NH2-OE2 3.25Å; S30-E36 WeakPolarHBondContact CB-OE1 3.4Å; S30-E36 PolarHBondContact OG-OE1 3.11Å; S32-E36 WeakPolarHBondContact O-CG 3.39Å; S32-E36 PolarHBondContact O-N 3.01Å; E33-E36 PolarHBondContact O-N 2.77Å; E36-M39 PolarHBondContact O-N 3.38Å; E36-I40 WeakPolarHBondContact O-CG1 3.47Å; E36-I40 PolarHBondContact O-N 3.24Å; E36-F59 HydrophobicContact CB-CE2 3.45Å; E36-F59 VanDerWaalsContact CB-CE2 3.45Å; E36-F59 HydrophobicContact CB-CZ 3.72Å; E36-F59 HydrophobicContact CG-CE2 4.29Å
37A94.5Very high92.8Very high42 Ų4269.8 Ų69.835%0.34738%0.383SS..Hα-helixtrans-61.8-43.8176.100000112E33 D34 M39 I40 S41 F59E33-A37 WeakPolarHBondContact O-CB 3.33Å; E33-A37 PolarHBondContact O-N 2.73Å; D34-A37 PolarHBondContact O-N 3.09Å; A37-M39 VanDerWaalsContact C-N 3.31Å; A37-M39 PolarHBondContact O-N 3.18Å; A37-I40 PolarHBondContact O-N 3.49Å; A37-S41 PolarHBondContact O-N 3.3Å; A37-F59 HydrophobicContact CB-CE1 4.33Å
38S95.4Very high93.1Very high49 Ų4964.7 Ų64.734%0.34337%0.373SS..Hα-helixtrans-60.3-41.4175-174.20000111.5D34 A35 S41 K42D34-S38 WeakPolarHBondContact O-CB 3.45Å; D34-S38 PolarHBondContact O-N 2.95Å; A35-S38 PolarHBondContact O-N 2.92Å; S38-S41 PolarHBondContact O-N 3.41Å; S38-K42 VanDerWaalsContact O-CG 3.3Å; S38-K42 WeakPolarHBondContact O-CG 3.46Å; S38-K42 PolarHBondContact O-N 3.42Å; S38-K42 WeakPolarHBondContact OG-CE 3.17Å; S38-K42 PolarHBondContact OG-NZ 3.48Å
39M95.2Very high93.6Very high55 Ų5567.2 Ų67.227%0.27138%0.381SS..Hα-helixtrans-65.2-42.2177.7-17359-177.700111.9M1 F13 Y17 A35 E36 A37 S41 K42 L43M1-M39 HydrophobicContact CE-CE 3.44Å; M1-M39 VanDerWaalsContact CE-CE 3.44Å; M1-M39 HydrophobicContact CE-SD 3.94Å; F13-M39 HydrophobicContact CZ-CE 4.43Å; Y17-M39 HydrophobicContact CE2-CE 4.15Å; Y17-M39 HydrophobicContact CE2-CG 4.2Å; Y17-M39 WeakPolarHBondContact OH-CG 3.39Å; A35-M39 WeakPolarHBondContact O-CB 3.37Å; A35-M39 PolarHBondContact O-N 3.47Å; E36-M39 PolarHBondContact O-N 3.38Å; A37-M39 VanDerWaalsContact C-N 3.31Å; A37-M39 PolarHBondContact O-N 3.18Å; M39-S41 VanDerWaalsContact C-N 3.34Å; M39-S41 PolarHBondContact O-N 2.85Å; M39-K42 PolarHBondContact O-N 3.48Å; M39-L43 HydrophobicContact CE-CD1 4.33Å; M39-L43 HydrophobicContact CE-CG 4.33Å; M39-L43 HydrophobicContact CG-CD1 4.44Å; M39-L43 WeakPolarHBondContact O-CG 3.21Å; M39-L43 PolarHBondContact O-N 2.94Å
40I95.2Very high93.8Very high10 Ų1070.1 Ų70.15%0.05139%0.394CS..Hα-helixtrans-62.2-42.3174.2-64.2168.2000110.6L21 E36 A37 K42 L43 K44 L55 Q56 F59L21-I40 HydrophobicContact CD2-CD1 4.24Å; E36-I40 WeakPolarHBondContact O-CG1 3.47Å; E36-I40 PolarHBondContact O-N 3.24Å; A37-I40 PolarHBondContact O-N 3.49Å; I40-K42 PolarHBondContact O-N 3.23Å; I40-L43 PolarHBondContact O-N 2.94Å; I40-K44 WeakPolarHBondContact O-CB 3.36Å; I40-K44 PolarHBondContact O-N 3Å; I40-L55 HydrophobicContact CD1-CB 4.13Å; I40-L55 HydrophobicContact CG1-CB 4.11Å; I40-L55 HydrophobicContact CG2-CB 4.37Å; I40-Q56 HydrophobicContact CG2-CG 3.61Å; I40-F59 HydrophobicContact CD1-CB 4.41Å; I40-F59 HydrophobicContact CD1-CD2 3.93Å; I40-F59 HydrophobicContact CD1-CG 4.26Å
41S95.8Very high94Very high59 Ų5970.1 Ų70.141%0.41339%0.39SS..Hα-helixtrans-61.5-44.8177.2-161.60000111.9A37 S38 M39 L43 K44 E45A37-S41 PolarHBondContact O-N 3.3Å; S38-S41 PolarHBondContact O-N 3.41Å; M39-S41 VanDerWaalsContact C-N 3.34Å; M39-S41 PolarHBondContact O-N 2.85Å; S41-L43 VanDerWaalsContact C-N 3.33Å; S41-L43 PolarHBondContact O-N 3.13Å; S41-K44 WeakPolarHBondContact O-CB 3.37Å; S41-K44 PolarHBondContact O-N 3.28Å; S41-K44 VanDerWaalsContact O-N 3.13Å; S41-E45 PolarHBondContact O-N 3Å
42K95.2Very high94.2Very high95 Ų9562.9 Ų62.941%0.41335%0.347SS..Hα-helixtrans-65-35.2177.5-71.5170.1-177.6164.40112.6M1 S38 M39 I40 A46M1-K42 HydrophobicContact CG-CB 3.69Å; M1-K42 HydrophobicContact CG-CD 4.49Å; S38-K42 VanDerWaalsContact O-CG 3.3Å; S38-K42 WeakPolarHBondContact O-CG 3.46Å; S38-K42 PolarHBondContact O-N 3.42Å; S38-K42 WeakPolarHBondContact OG-CE 3.17Å; S38-K42 PolarHBondContact OG-NZ 3.48Å; M39-K42 PolarHBondContact O-N 3.48Å; I40-K42 PolarHBondContact O-N 3.23Å; K42-A46 WeakPolarHBondContact O-CB 3.39Å; K42-A46 PolarHBondContact O-N 2.91Å
43L94.7Very high94.3Very high0 Ų062.4 Ų62.40%035%0.345CS..Hα-helixtrans-67-39.6172.1-75.5167000111.5M1 F4 F13 Y17 M39 I40 S41 A46 C47 Y51 T52 L55M1-L43 HydrophobicContact CE-CB 4.46Å; M1-L43 HydrophobicContact CE-CD2 3.23Å; M1-L43 HydrophobicContact CE-CG 3.51Å; F4-L43 HydrophobicContact CD1-CD2 4.25Å; F4-L43 HydrophobicContact CE1-CD2 3.68Å; F4-L43 HydrophobicContact CE2-CD2 4.09Å; F4-L43 HydrophobicContact CZ-CD2 3.62Å; F13-L43 HydrophobicContact CE1-CD1 4.46Å; F13-L43 HydrophobicContact CE1-CD2 3.83Å; Y17-L43 HydrophobicContact CD1-CD1 4.17Å; Y17-L43 HydrophobicContact CE1-CD1 3.96Å; M39-L43 HydrophobicContact CE-CD1 4.33Å; M39-L43 HydrophobicContact CE-CG 4.33Å; M39-L43 HydrophobicContact CG-CD1 4.44Å; M39-L43 WeakPolarHBondContact O-CG 3.21Å; M39-L43 PolarHBondContact O-N 2.94Å; I40-L43 PolarHBondContact O-N 2.94Å; S41-L43 VanDerWaalsContact C-N 3.33Å; S41-L43 PolarHBondContact O-N 3.13Å; L43-A46 PolarHBondContact O-N 2.91Å; L43-C47 PolarHBondContact O-N 3.14Å; L43-Y51 HydrophobicContact CD2-CE1 4.24Å; L43-T52 HydrophobicContact CB-CG2 3.65Å; L43-L55 HydrophobicContact CD1-CD1 3.93Å
44K94.9Very high94.2Very high86 Ų8662.3 Ų62.337%0.37434%0.343SS..Hα-helixtrans-64.3-42.7178.4-178.7-179.9170.6-178.10111.1I40 S41 A46 G48 T52I40-K44 WeakPolarHBondContact O-CB 3.36Å; I40-K44 PolarHBondContact O-N 3Å; S41-K44 WeakPolarHBondContact O-CB 3.37Å; S41-K44 PolarHBondContact O-N 3.28Å; S41-K44 VanDerWaalsContact O-N 3.13Å; K44-A46 VanDerWaalsContact C-N 3.29Å; K44-A46 PolarHBondContact O-N 2.82Å; K44-G48 WeakPolarHBondContact O-CA 2.98Å; K44-G48 PolarHBondContact O-N 3.3Å; K44-T52 HydrophobicContact CB-CG2 3.87Å; K44-T52 VanDerWaalsContact N-CG2 3.35Å
45E94.5Very high94.2Very high153 Ų15356 Ų5672%0.71531%0.31SS*.Hα-helixtrans-61.9-38173.8-74.1168.4-16300112.1S41S41-E45 PolarHBondContact O-N 3Å
46A91.9Very high94.2Very high44 Ų4456 Ų5636%0.36430%0.3SS..Hα-helixtrans-80.7-32.2-175.700000114.5F4 K42 L43 K44F4-A46 HydrophobicContact CD1-CB 4.17Å; F4-A46 HydrophobicContact CE1-CB 4.32Å; K42-A46 WeakPolarHBondContact O-CB 3.39Å; K42-A46 PolarHBondContact O-N 2.91Å; L43-A46 PolarHBondContact O-N 2.91Å; K44-A46 VanDerWaalsContact C-N 3.29Å; K44-A46 PolarHBondContact O-N 2.82Å
47C92.4Very high94.1Very high37 Ų3761.9 Ų61.925%0.2532%0.321CS..Hα-helixtrans-129.3-3.9-171.2-70.20000114.7F4 L43 Y51F4-C47 VanDerWaalsContact CE1-SG 3.52Å; L43-C47 PolarHBondContact O-N 3.14Å; C47-Y51 HydrophobicContact CB-CD1 3.56Å; C47-Y51 HydrophobicContact CB-CD2 3.93Å; C47-Y51 HydrophobicContact CB-CE1 4.18Å; C47-Y51 HydrophobicContact CB-CG 3.41Å; C47-Y51 VanDerWaalsContact CB-CG 3.41Å
48G93.6Very high94Very high32 Ų3260 Ų6033%0.3331%0.306SS..  trans88.8175.3178.600000114.3K44K44-G48 WeakPolarHBondContact O-CA 2.98Å; K44-G48 PolarHBondContact O-N 3.3Å
49F95.1Very high93.8Very high126 Ų12658.8 Ų58.855%0.55329%0.294SS*.Hα-helixtrans-65.2-44.5-172.4179.6-101.3000113.2Y51 T52 A53F49-Y51 VanDerWaalsContact C-N 3.25Å; F49-Y51 PolarHBondContact O-N 3.14Å; F49-T52 PolarHBondContact O-N 2.78Å; F49-T52 VanDerWaalsContact O-N 3.09Å; F49-T52 PolarHBondContact O-OG1 2.73Å; F49-A53 HydrophobicContact CE1-CB 4.49Å; F49-A53 PolarHBondContact O-N 3.46Å
50E94.6Very high93.6Very high177 Ų17761.7 Ų61.783%0.82731%0.307SS*.Hα-helixtrans-61-37.5-177.5-62.9-146.5125.900112.1T52 A53E50-T52 VanDerWaalsContact C-N 3.28Å; E50-T52 PolarHBondContact O-N 3.33Å; E50-A53 PolarHBondContact O-N 2.82Å
51Y93.6Very high93.3Very high28 Ų2863.1 Ų63.111%0.1132%0.315CS..Hα-helixtrans-62.4-35.4177.7-169.1-91.8000112.4F4 K10 F13 Q14 L43 C47 F49F4-Y51 HydrophobicContact CZ-CE1 4.25Å; K10-Y51 HydrophobicContact CB-CE2 3.99Å; K10-Y51 PolarHBondContact O-OH 3.44Å; F13-Y51 WeakPolarHBondContact CD1-OH 3.46Å; Q14-Y51 HydrophobicContact CB-CE1 4.38Å; Q14-Y51 HydrophobicContact CB-CE2 3.89Å; Q14-Y51 WeakPolarHBondContact CB-OH 3.47Å; Q14-Y51 HydrophobicContact CG-CD2 4.48Å; Q14-Y51 HydrophobicContact CG-CE1 4.11Å; Q14-Y51 HydrophobicContact CG-CE2 3.99Å; Q14-Y51 PolarHBondContact NE2-O 3.38Å; L43-Y51 HydrophobicContact CD2-CE1 4.24Å; C47-Y51 HydrophobicContact CB-CD1 3.56Å; C47-Y51 HydrophobicContact CB-CD2 3.93Å; C47-Y51 HydrophobicContact CB-CE1 4.18Å; C47-Y51 HydrophobicContact CB-CG 3.41Å; C47-Y51 VanDerWaalsContact CB-CG 3.41Å; F49-Y51 VanDerWaalsContact C-N 3.25Å; F49-Y51 PolarHBondContact O-N 3.14Å
52T95.4Very high92.8Very high0 Ų060.5 Ų60.50%030%0.296CS..Hα-helixtrans-100.1-7.9-177.756.90000115L43 K44 F49 E50 K54 L55 Q56L43-T52 HydrophobicContact CB-CG2 3.65Å; K44-T52 HydrophobicContact CB-CG2 3.87Å; K44-T52 VanDerWaalsContact N-CG2 3.35Å; F49-T52 PolarHBondContact O-N 2.78Å; F49-T52 VanDerWaalsContact O-N 3.09Å; F49-T52 PolarHBondContact O-OG1 2.73Å; E50-T52 VanDerWaalsContact C-N 3.28Å; E50-T52 PolarHBondContact O-N 3.33Å; T52-K54 PolarHBondContact O-N 3.1Å; T52-K54 VanDerWaalsContact O-N 3.11Å; T52-L55 PolarHBondContact O-N 2.96Å; T52-Q56 PolarHBondContact O-N 3.34Å
53A93.7Very high92.5Very high31 Ų3159 Ų5926%0.25629%0.293SS..Hα-helixtrans-52.2-41.7-172.800000112.5F49 E50 R57F49-A53 HydrophobicContact CE1-CB 4.49Å; F49-A53 PolarHBondContact O-N 3.46Å; E50-A53 PolarHBondContact O-N 2.82Å; A53-R57 PolarHBondContact O-N 3.08Å
54K90.8Very high92.2Very high79 Ų7961.7 Ų61.734%0.34332%0.315SS..Hα-helixtrans-65.4-44.6177.4-173174.8-177.8172.20113T52 Q56 R57 M58 H121T52-K54 PolarHBondContact O-N 3.1Å; T52-K54 VanDerWaalsContact O-N 3.11Å; K54-Q56 VanDerWaalsContact C-N 3.34Å; K54-R57 PolarHBondContact O-N 3.47Å; K54-M58 HydrophobicContact CG-SD 4.34Å; K54-M58 WeakPolarHBondContact O-CG 3.47Å; K54-M58 PolarHBondContact O-N 3.34Å; K54-H121 WeakPolarHBondContact CE-CD2 3.4Å; K54-H121 VanDerWaalsContact CE-CE1 3.45Å; K54-H121 WeakPolarHBondContact CE-CE1 3.48Å; K54-H121 WeakPolarHBondContact CE-ND1 3.38Å; K54-H121 WeakPolarHBondContact CE-NE2 3.4Å; K54-H121 VanDerWaalsContact NZ-CG 3.27Å; K54-H121 PolarHBondContact NZ-ND1 2.8Å; K54-H121 VanDerWaalsContact NZ-ND1 3.1Å
55L94Very high91.7Very high1 Ų157.9 Ų57.91%0.00530%0.299CS..Hα-helixtrans-64.8-41.8-179.8-55.9176.5000110.8Y17 S18 L21 I40 L43 T52 M58 F59Y17-L55 HydrophobicContact CD1-CD1 3.82Å; Y17-L55 HydrophobicContact CD1-CD2 3.99Å; Y17-L55 HydrophobicContact CE1-CD1 3.96Å; Y17-L55 HydrophobicContact CE1-CD2 4.38Å; S18-L55 WeakPolarHBondContact OG-CD2 3.08Å; L21-L55 HydrophobicContact CD2-CB 4.17Å; L21-L55 HydrophobicContact CD2-CD2 3.79Å; I40-L55 HydrophobicContact CD1-CB 4.13Å; I40-L55 HydrophobicContact CG1-CB 4.11Å; I40-L55 HydrophobicContact CG2-CB 4.37Å; L43-L55 HydrophobicContact CD1-CD1 3.93Å; T52-L55 PolarHBondContact O-N 2.96Å; L55-M58 PolarHBondContact O-N 3.05Å; L55-F59 PolarHBondContact O-N 3.47Å; L55-F59 VanDerWaalsContact O-N 3.13Å
56Q93.5Very high91.2Very high54 Ų5453.5 Ų53.525%0.25228%0.276SS..Hα-helixtrans-62.3-44.3176.1-72.8-174.3-7900111.6I40 T52 K54 M58 F59 Q60I40-Q56 HydrophobicContact CG2-CG 3.61Å; T52-Q56 PolarHBondContact O-N 3.34Å; K54-Q56 VanDerWaalsContact C-N 3.34Å; Q56-M58 PolarHBondContact O-N 3.11Å; Q56-F59 WeakPolarHBondContact O-CB 3.39Å; Q56-F59 PolarHBondContact O-N 3.34Å; Q56-Q60 WeakPolarHBondContact O-CG 3.36Å; Q56-Q60 PolarHBondContact O-N 3.3Å
57R92.5Very high91.1Very high141 Ų14156.6 Ų56.653%0.53228%0.283SS..Hα-helixtrans-61.3-44.6177.4-179.1161-81.4129.5-3.8111.9A53 K54 F59 Q60 D61A53-R57 PolarHBondContact O-N 3.08Å; K54-R57 PolarHBondContact O-N 3.47Å; R57-F59 VanDerWaalsContact C-N 3.26Å; R57-F59 PolarHBondContact O-N 3.13Å; R57-Q60 WeakPolarHBondContact O-CB 3.28Å; R57-Q60 PolarHBondContact O-N 3.08Å; R57-Q60 VanDerWaalsContact O-N 3.15Å; R57-D61 PolarHBondContact O-N 3.09Å
58M92.1Very high90.8Very high3 Ų359.9 Ų59.92%0.01530%0.297CS..Hα-helixtrans-57.8-39.3175.3-68.9167.553.300112.7L21 A22 L25 K54 L55 Q56 V62L21-M58 HydrophobicContact CB-CE 4.4Å; L21-M58 HydrophobicContact CD2-CE 4.41Å; L21-M58 HydrophobicContact CG-CE 4.27Å; A22-M58 HydrophobicContact CB-CE 3.35Å; A22-M58 VanDerWaalsContact N-CE 3.31Å; L25-M58 HydrophobicContact CD1-CB 4.21Å; L25-M58 HydrophobicContact CD1-CE 4.38Å; K54-M58 HydrophobicContact CG-SD 4.34Å; K54-M58 WeakPolarHBondContact O-CG 3.47Å; K54-M58 PolarHBondContact O-N 3.34Å; L55-M58 PolarHBondContact O-N 3.05Å; Q56-M58 PolarHBondContact O-N 3.11Å; M58-V62 VanDerWaalsContact O-CG2 3.32Å; M58-V62 WeakPolarHBondContact O-CG2 3.32Å; M58-V62 PolarHBondContact O-N 3.13Å
59F90.3Very high90.4Very high24 Ų2460.2 Ų60.211%0.10529%0.292CS..Hα-helixtrans-67.4-42.4177.8-137.1-101.7000111.9L25 E33 E36 A37 I40 L55 Q56 R57 V62 N63L25-F59 HydrophobicContact CD1-CD2 4.07Å; L25-F59 HydrophobicContact CD2-CD2 4Å; L25-F59 HydrophobicContact CD2-CE2 3.77Å; E33-F59 HydrophobicContact CB-CE1 4.49Å; E33-F59 HydrophobicContact CB-CZ 4.16Å; E33-F59 WeakPolarHBondContact O-CZ 3.38Å; E36-F59 HydrophobicContact CB-CE2 3.45Å; E36-F59 VanDerWaalsContact CB-CE2 3.45Å; E36-F59 HydrophobicContact CB-CZ 3.72Å; E36-F59 HydrophobicContact CG-CE2 4.29Å; A37-F59 HydrophobicContact CB-CE1 4.33Å; I40-F59 HydrophobicContact CD1-CB 4.41Å; I40-F59 HydrophobicContact CD1-CD2 3.93Å; I40-F59 HydrophobicContact CD1-CG 4.26Å; L55-F59 PolarHBondContact O-N 3.47Å; L55-F59 VanDerWaalsContact O-N 3.13Å; Q56-F59 WeakPolarHBondContact O-CB 3.39Å; Q56-F59 PolarHBondContact O-N 3.34Å; R57-F59 VanDerWaalsContact C-N 3.26Å; R57-F59 PolarHBondContact O-N 3.13Å; F59-V62 PolarHBondContact O-N 3.28Å; F59-N63 PolarHBondContact O-N 2.89Å; F59-N63 VanDerWaalsContact O-N 3.15Å
60Q90.8Very high90Very high115 Ų11556.6 Ų56.654%0.53729%0.285SS..Hα-helixtrans-62-45.7175.5-70.7169.9-7.100111.6Q56 R57 V62 N63 A64Q56-Q60 WeakPolarHBondContact O-CG 3.36Å; Q56-Q60 PolarHBondContact O-N 3.3Å; R57-Q60 WeakPolarHBondContact O-CB 3.28Å; R57-Q60 PolarHBondContact O-N 3.08Å; R57-Q60 VanDerWaalsContact O-N 3.15Å; Q60-V62 VanDerWaalsContact C-N 3.31Å; Q60-V62 PolarHBondContact O-N 3.19Å; Q60-N63 PolarHBondContact O-N 3.28Å; Q60-A64 WeakPolarHBondContact O-CB 3.42Å; Q60-A64 PolarHBondContact O-N 2.79Å
61D89Confident89.7Confident40 Ų4053.9 Ų53.921%0.21427%0.27CS..Hα-helixtrans-60.1-41.7-179.1-67.5-18.8000111.6R57 T65 H117R57-D61 PolarHBondContact O-N 3.09Å; D61-T65 VanDerWaalsContact O-CB 3.32Å; D61-T65 WeakPolarHBondContact O-CB 3.36Å; D61-T65 PolarHBondContact O-N 2.63Å; D61-T65 PolarHBondContact O-OG1 3.15Å; D61-H117 IonicContact OD2-CD2 3.93Å
62V86.7Confident89.2Confident5 Ų558.3 Ų58.33%0.0329%0.29CS..Hα-helixtrans-68.7-41179.8169.80000111.2L25 M58 F59 Q60 T65 R66 M118L25-V62 HydrophobicContact CB-CG2 3.86Å; L25-V62 HydrophobicContact CD1-CG2 4.2Å; L25-V62 HydrophobicContact CG-CG2 4.49Å; M58-V62 VanDerWaalsContact O-CG2 3.32Å; M58-V62 WeakPolarHBondContact O-CG2 3.32Å; M58-V62 PolarHBondContact O-N 3.13Å; F59-V62 PolarHBondContact O-N 3.28Å; Q60-V62 VanDerWaalsContact C-N 3.31Å; Q60-V62 PolarHBondContact O-N 3.19Å; V62-T65 PolarHBondContact O-N 2.98Å; V62-R66 WeakPolarHBondContact O-CD 2.97Å; V62-R66 VanDerWaalsContact O-CG 3.29Å; V62-R66 WeakPolarHBondContact O-CG 3.4Å; V62-R66 PolarHBondContact O-N 3.07Å; V62-M118 HydrophobicContact CG2-CE 3.82Å; V62-M118 HydrophobicContact CG2-SD 3.82Å
63N88.2Confident88.7Confident64 Ų6461.6 Ų61.634%0.34231%0.313SS..Hα-helixtrans-66.9-45.3177.1-72.1-12000111.8F59 Q60 T65 R66 E67F59-N63 PolarHBondContact O-N 2.89Å; F59-N63 VanDerWaalsContact O-N 3.15Å; Q60-N63 PolarHBondContact O-N 3.28Å; N63-T65 VanDerWaalsContact C-N 3.27Å; N63-T65 PolarHBondContact O-N 2.73Å; N63-R66 PolarHBondContact O-N 3.41Å; N63-R66 VanDerWaalsContact O-N 3.17Å; N63-R66 PolarHBondContact OD1-NH1 2.95Å; N63-R66 VanDerWaalsContact OD1-NH1 3.15Å; N63-E67 PolarHBondContact O-N 3.25Å
64A88Confident88.5Confident56 Ų5664.2 Ų64.246%0.46332%0.323SS..Hα-helixtrans-59.6-39.8174.400000111.8Q60 E67 L68Q60-A64 WeakPolarHBondContact O-CB 3.42Å; Q60-A64 PolarHBondContact O-N 2.79Å; A64-E67 PolarHBondContact O-N 2.75Å; A64-L68 WeakPolarHBondContact O-CB 3.45Å; A64-L68 PolarHBondContact O-N 2.84Å
65T84.2Confident88.3Confident6 Ų666.5 Ų66.54%0.03733%0.331CS..Hα-helixtrans-63.4-42.6176.5-57.80000111.9D61 V62 N63 L68 N69 I110 S114D61-T65 VanDerWaalsContact O-CB 3.32Å; D61-T65 WeakPolarHBondContact O-CB 3.36Å; D61-T65 PolarHBondContact O-N 2.63Å; D61-T65 PolarHBondContact O-OG1 3.15Å; V62-T65 PolarHBondContact O-N 2.98Å; N63-T65 VanDerWaalsContact C-N 3.27Å; N63-T65 PolarHBondContact O-N 2.73Å; T65-L68 PolarHBondContact O-N 3.31Å; T65-N69 WeakPolarHBondContact O-CB 3.47Å; T65-N69 PolarHBondContact O-N 2.67Å; T65-N69 PolarHBondContact O-ND2 2.9Å; T65-N69 PolarHBondContact O-OD1 2.63Å; T65-I110 HydrophobicContact CG2-CB 4.48Å; T65-I110 HydrophobicContact CG2-CG2 4.27Å; T65-S114 WeakPolarHBondContact OG1-CB 3.49Å; T65-S114 PolarHBondContact OG1-OG 3.08Å
66R85.8Confident87.8Confident60 Ų6069.4 Ų69.423%0.22635%0.346CS..Hα-helixtrans-65.3-42.1178.3-71.6159.5171-176.1-19111.8N28 E33 V62 N63 N69 A70N28-R66 PolarHBondContact OD1-NH2 2.9Å; N28-R66 VanDerWaalsContact OD1-NH2 3.08Å; E33-R66 IonicContact OE1-CZ 3.06Å; E33-R66 IonicContact OE1-NH1 2.63Å; E33-R66 PolarHBondContact OE1-NH1 3.3Å; E33-R66 IonicContact OE1-NH2 2.79Å; E33-R66 PolarHBondContact OE1-NH2 2.81Å; E33-R66 IonicContact OE2-NH1 3.09Å; E33-R66 PolarHBondContact OE2-NH1 3.4Å; E33-R66 VanDerWaalsContact OE2-NH1 3.09Å; V62-R66 WeakPolarHBondContact O-CD 2.97Å; V62-R66 VanDerWaalsContact O-CG 3.29Å; V62-R66 WeakPolarHBondContact O-CG 3.4Å; V62-R66 PolarHBondContact O-N 3.07Å; N63-R66 PolarHBondContact O-N 3.41Å; N63-R66 VanDerWaalsContact O-N 3.17Å; N63-R66 PolarHBondContact OD1-NH1 2.95Å; N63-R66 VanDerWaalsContact OD1-NH1 3.15Å; R66-N69 PolarHBondContact O-N 3.48Å; R66-A70 PolarHBondContact O-N 2.92Å
67E88.7Confident87.3Confident110 Ų11072 Ų7251%0.51436%0.358SS..Hα-helixtrans-63.4-44.8176.2-168.6-169.6153.800111.5N63 A64 N69 A70 K71N63-E67 PolarHBondContact O-N 3.25Å; A64-E67 PolarHBondContact O-N 2.75Å; E67-N69 VanDerWaalsContact C-N 3.32Å; E67-N69 PolarHBondContact O-N 2.89Å; E67-A70 PolarHBondContact O-N 3.49Å; E67-K71 HydrophobicContact CG-CD 4.47Å; E67-K71 WeakPolarHBondContact O-CG 3.33Å; E67-K71 PolarHBondContact O-N 3.41Å; E67-K71 WeakPolarHBondContact OE1-CE 3.1Å; E67-K71 IonicContact OE1-NZ 2.64Å; E67-K71 PolarHBondContact OE1-NZ 3.36Å
68L87.1Confident87Confident105 Ų10571.6 Ų71.655%0.5536%0.36SS..Hα-helixtrans-62-41.5177-174.464.4000111.5A64 T65 K71 F72A64-L68 WeakPolarHBondContact O-CB 3.45Å; A64-L68 PolarHBondContact O-N 2.84Å; T65-L68 PolarHBondContact O-N 3.31Å; L68-K71 PolarHBondContact O-N 3Å; L68-F72 WeakPolarHBondContact O-CB 3.24Å; L68-F72 PolarHBondContact O-N 3.25Å
69N83.7Confident86.3Confident40 Ų4075.1 Ų75.121%0.21438%0.376CS..Hα-helixtrans-64-40.5176.3-71.3-17.1000112.6T65 R66 E67 F72 S73 F109T65-N69 WeakPolarHBondContact O-CB 3.47Å; T65-N69 PolarHBondContact O-N 2.67Å; T65-N69 PolarHBondContact O-ND2 2.9Å; T65-N69 PolarHBondContact O-OD1 2.63Å; R66-N69 PolarHBondContact O-N 3.48Å; E67-N69 VanDerWaalsContact C-N 3.32Å; E67-N69 PolarHBondContact O-N 2.89Å; N69-F72 PolarHBondContact O-N 3.15Å; N69-S73 WeakPolarHBondContact O-CB 3.16Å; N69-S73 PolarHBondContact O-N 2.87Å; N69-F109 VanDerWaalsContact CG-O 3.26Å; N69-F109 PolarHBondContact ND2-O 3.02Å; N69-F109 PolarHBondContact OD1-O 2.64Å; N69-F109 VanDerWaalsContact OD1-O 3.04Å
70A87.9Confident85.4Confident50 Ų5079.1 Ų79.141%0.41340%0.395SS..Hα-helixtrans-61.3-49.917600000110.3R66 E67 F72 S73 D74R66-A70 PolarHBondContact O-N 2.92Å; E67-A70 PolarHBondContact O-N 3.49Å; A70-F72 VanDerWaalsContact C-N 3.28Å; A70-F72 PolarHBondContact O-N 3.36Å; A70-S73 WeakPolarHBondContact O-CB 3.49Å; A70-S73 PolarHBondContact O-N 2.88Å; A70-S73 VanDerWaalsContact O-N 3.14Å; A70-D74 VanDerWaalsContact O-CG 3.3Å; A70-D74 PolarHBondContact O-N 2.81Å
71K87.3Confident84.4Confident119 Ų11979.1 Ų79.152%0.51740%0.395SS..Hα-helixtrans-58.2-39.6176-72.8171.1171.71700112.8E67 L68 Y75E67-K71 HydrophobicContact CG-CD 4.47Å; E67-K71 WeakPolarHBondContact O-CG 3.33Å; E67-K71 PolarHBondContact O-N 3.41Å; E67-K71 WeakPolarHBondContact OE1-CE 3.1Å; E67-K71 IonicContact OE1-NZ 2.64Å; E67-K71 PolarHBondContact OE1-NZ 3.36Å; L68-K71 PolarHBondContact O-N 3Å; K71-Y75 WeakPolarHBondContact O-CB 3.36Å; K71-Y75 PolarHBondContact O-N 3.27Å
72F83.7Confident83.3Confident121 Ų12181.3 Ų81.353%0.53141%0.41SS..Hα-helixtrans-68.7-41177.6-173.7-107.8000111.8L68 N69 A70 Y75 L76L68-F72 WeakPolarHBondContact O-CB 3.24Å; L68-F72 PolarHBondContact O-N 3.25Å; N69-F72 PolarHBondContact O-N 3.15Å; A70-F72 VanDerWaalsContact C-N 3.28Å; A70-F72 PolarHBondContact O-N 3.36Å; F72-Y75 WeakPolarHBondContact O-CB 3.46Å; F72-Y75 PolarHBondContact O-N 3.48Å; F72-L76 HydrophobicContact CD1-CD1 4.03Å; F72-L76 HydrophobicContact CD1-CG 4.44Å; F72-L76 HydrophobicContact CE1-CD1 3.58Å; F72-L76 HydrophobicContact CE1-CG 4.11Å; F72-L76 HydrophobicContact CZ-CD1 4.11Å; F72-L76 HydrophobicContact CZ-CD2 4.21Å; F72-L76 HydrophobicContact CZ-CG 4.25Å; F72-L76 WeakPolarHBondContact O-CG 3.32Å; F72-L76 PolarHBondContact O-N 3.24Å
73S85.2Confident81.9Confident69 Ų6985.7 Ų85.748%0.48343%0.433SS..Hα-helixtrans-61.3-45.3174-1650000111.5N69 A70 Y75 L76 Q77N69-S73 WeakPolarHBondContact O-CB 3.16Å; N69-S73 PolarHBondContact O-N 2.87Å; A70-S73 WeakPolarHBondContact O-CB 3.49Å; A70-S73 PolarHBondContact O-N 2.88Å; A70-S73 VanDerWaalsContact O-N 3.14Å; S73-Y75 VanDerWaalsContact C-N 3.29Å; S73-Y75 PolarHBondContact O-N 3.15Å; S73-L76 PolarHBondContact O-N 2.98Å; S73-Q77 PolarHBondContact O-N 3.22Å
74D89Confident80.1Confident87 Ų8784.6 Ų84.647%0.46544%0.437SS..Hα-helixtrans-62-38.2176.7-66.4-12.4000111.8A70 K78A70-D74 VanDerWaalsContact O-CG 3.3Å; A70-D74 PolarHBondContact O-N 2.81Å; D74-K78 WeakPolarHBondContact O-CG 3.45Å; D74-K78 PolarHBondContact O-N 3.04Å; D74-K78 VanDerWaalsContact O-N 3.08Å
75Y86.8Confident78Confident127 Ų12786.1 Ų86.150%0.49844%0.444SS..Hα-helixtrans-63.4-45.6175.4171.1-96.7000111.7K71 F72 S73 Q77 K78 Q79K71-Y75 WeakPolarHBondContact O-CB 3.36Å; K71-Y75 PolarHBondContact O-N 3.27Å; F72-Y75 WeakPolarHBondContact O-CB 3.46Å; F72-Y75 PolarHBondContact O-N 3.48Å; S73-Y75 VanDerWaalsContact C-N 3.29Å; S73-Y75 PolarHBondContact O-N 3.15Å; Y75-Q77 VanDerWaalsContact C-N 3.35Å; Y75-Q77 PolarHBondContact O-N 3.04Å; Y75-K78 PolarHBondContact O-N 2.69Å; Y75-Q79 HydrophobicContact CD1-CG 4.34Å; Y75-Q79 HydrophobicContact CE1-CG 3.83Å; Y75-Q79 HydrophobicContact CE2-CG 4.07Å; Y75-Q79 WeakPolarHBondContact O-CG 3.42Å; Y75-Q79 PolarHBondContact O-N 2.91Å
76L82.7Confident76Confident61 Ų6190.9 Ų90.932%0.31947%0.474SS..Hα-helixtrans-62.3-42.4177.5-69.3178.8000111.6F72 S73 K78 Q79 E80 L104F72-L76 HydrophobicContact CD1-CD1 4.03Å; F72-L76 HydrophobicContact CD1-CG 4.44Å; F72-L76 HydrophobicContact CE1-CD1 3.58Å; F72-L76 HydrophobicContact CE1-CG 4.11Å; F72-L76 HydrophobicContact CZ-CD1 4.11Å; F72-L76 HydrophobicContact CZ-CD2 4.21Å; F72-L76 HydrophobicContact CZ-CG 4.25Å; F72-L76 WeakPolarHBondContact O-CG 3.32Å; F72-L76 PolarHBondContact O-N 3.24Å; S73-L76 PolarHBondContact O-N 2.98Å; L76-K78 PolarHBondContact O-N 3.44Å; L76-Q79 WeakPolarHBondContact O-CB 3.32Å; L76-Q79 PolarHBondContact O-N 3.07Å; L76-E80 PolarHBondContact O-N 3.26Å; L76-L104 HydrophobicContact CD1-CD1 4.44Å
77Q84.1Confident74.1Confident108 Ų10894.2 Ų94.251%0.50549%0.494SS..Hα-helixtrans-60.8-43.9177-173.4179.3-18.300111.8S73 Y75 Q79 E80 E81S73-Q77 PolarHBondContact O-N 3.22Å; Y75-Q77 VanDerWaalsContact C-N 3.35Å; Y75-Q77 PolarHBondContact O-N 3.04Å; Q77-Q79 VanDerWaalsContact C-N 3.32Å; Q77-Q79 PolarHBondContact O-N 3.09Å; Q77-E80 PolarHBondContact O-N 2.67Å; Q77-E81 PolarHBondContact O-N 2.97Å; Q77-E81 VanDerWaalsContact O-N 3.15Å
78K85.7Confident71.9Confident134 Ų13498.3 Ų98.358%0.58351%0.511SS*.Hα-helixtrans-64-35.9175.7-73.7174.6-177.4175.20112.7D74 Y75 L76 E80 E81 V82D74-K78 WeakPolarHBondContact O-CG 3.45Å; D74-K78 PolarHBondContact O-N 3.04Å; D74-K78 VanDerWaalsContact O-N 3.08Å; Y75-K78 PolarHBondContact O-N 2.69Å; L76-K78 PolarHBondContact O-N 3.44Å; K78-E80 VanDerWaalsContact C-N 3.34Å; K78-E81 PolarHBondContact O-N 3.27Å; K78-V82 VanDerWaalsContact O-CG2 3.29Å; K78-V82 WeakPolarHBondContact O-CG2 3.29Å; K78-V82 PolarHBondContact O-N 3.44Å; K78-V82 VanDerWaalsContact O-N 3.09Å
79Q77.6Confident69.6Low76 Ų7696.4 Ų96.436%0.35552%0.516SS..Hα-helixtrans-65.3-38.3175.8-74.3-68.8-61.600111.8Y75 L76 Q77 V82 N83Y75-Q79 HydrophobicContact CD1-CG 4.34Å; Y75-Q79 HydrophobicContact CE1-CG 3.83Å; Y75-Q79 HydrophobicContact CE2-CG 4.07Å; Y75-Q79 WeakPolarHBondContact O-CG 3.42Å; Y75-Q79 PolarHBondContact O-N 2.91Å; L76-Q79 WeakPolarHBondContact O-CB 3.32Å; L76-Q79 PolarHBondContact O-N 3.07Å; Q77-Q79 VanDerWaalsContact C-N 3.32Å; Q77-Q79 PolarHBondContact O-N 3.09Å; Q79-V82 PolarHBondContact O-N 2.93Å; Q79-N83 WeakPolarHBondContact O-CB 3.38Å; Q79-N83 PolarHBondContact O-N 3.43Å
80E72Confident67.1Low108 Ų108100.2 Ų100.251%0.50554%0.541SS..Hα-helixtrans-64.5-40.5174.8-71.7-177.6171.100112.2L76 Q77 K78 N83 G84L76-E80 PolarHBondContact O-N 3.26Å; Q77-E80 PolarHBondContact O-N 2.67Å; K78-E80 VanDerWaalsContact C-N 3.34Å; E80-N83 PolarHBondContact O-N 2.93Å; E80-G84 PolarHBondContact O-N 3.17Å
81E69.4Low64.5Low115 Ų115104.1 Ų104.154%0.53755%0.554SS.*Hα-helixtrans-64.7-39.7176.6-69.9173-174.100112.5Q77 K78 S85Q77-E81 PolarHBondContact O-N 2.97Å; Q77-E81 VanDerWaalsContact O-N 3.15Å; K78-E81 PolarHBondContact O-N 3.27Å; E81-S85 PolarHBondContact O-N 3.36Å; E81-S85 PolarHBondContact O-OG 3.37Å
82V65.6Low61.7Low86 Ų86105.3 Ų105.352%0.52157%0.572SS.*Hα-helixtrans-69.2-41.5176.91730000111.2K78 Q79 S85K78-V82 VanDerWaalsContact O-CG2 3.29Å; K78-V82 WeakPolarHBondContact O-CG2 3.29Å; K78-V82 PolarHBondContact O-N 3.44Å; K78-V82 VanDerWaalsContact O-N 3.09Å; Q79-V82 PolarHBondContact O-N 2.93Å; V82-S85 PolarHBondContact O-N 2.72Å
83N56.4Low59.5Low98 Ų98106.2 Ų106.252%0.52458%0.581SS.*Hα-helixtrans-73.9-34.2178.6-73.8-17.2000112.5Q79 E80 S85 T86Q79-N83 WeakPolarHBondContact O-CB 3.38Å; Q79-N83 PolarHBondContact O-N 3.43Å; E80-N83 PolarHBondContact O-N 2.93Å; N83-S85 VanDerWaalsContact C-N 3.27Å; N83-S85 PolarHBondContact O-N 3.42Å; N83-T86 PolarHBondContact O-N 3Å
84G50.6Low56.9Low40 Ų40111.9 Ų111.941%0.41260%0.6SS.*Hα-helixtrans-67.9-25174.500000113.8E80E80-G84 PolarHBondContact O-N 3.17Å
85S45.2Very low54.8Low88 Ų88116.5 Ų116.562%0.61562%0.618SS**Hα-helixtrans-77.6-29.5177.4-600000113E81 V82 N83E81-S85 PolarHBondContact O-N 3.36Å; E81-S85 PolarHBondContact O-OG 3.37Å; V82-S85 PolarHBondContact O-N 2.72Å; N83-S85 VanDerWaalsContact C-N 3.27Å; N83-S85 PolarHBondContact O-N 3.42Å
86T41.1Very low52.1Low107 Ų107118.3 Ų118.366%0.65664%0.636SS**Hα-helixtrans-73-26.7178.7-58.30000112.6N83N83-T86 PolarHBondContact O-N 3Å
87I46.4Very low49.8Very low129 Ų129118.7 Ų118.766%0.66266%0.655SS**Hα-helixtrans-86.4-23.4-178.5-56.8-178.6000112.6G89I87-G89 PolarHBondContact O-N 2.9Å
88K41.5Very low47.7Very low197 Ų197118.6 Ų118.686%0.85767%0.666SS**THydrogen-bonded Turntrans-68.5-13.1177.4-84.4-173174.1179.50114.5
89G39.3Very low45.5Very low65 Ų65118.9 Ų118.967%0.6769%0.685SS**THydrogen-bonded Turntrans-79.7-21.9-17900000116I87I87-G89 PolarHBondContact O-N 2.9Å
90T30.8Very low43.6Very low120 Ų120119.2 Ų119.274%0.73670%0.696SS**THydrogen-bonded Turntrans-141.2-2.7-161-36.20000117.8
91L33.6Very low41.7Very low131 Ų131122.2 Ų122.269%0.68671%0.712SS**  trans-152.7105.6173.6-139.770.6000114.4I93L91-I93 HydrophobicContact CD2-CD1 3.54Å; L91-I93 HydrophobicContact CD2-CG1 3.93Å; L91-I93 HydrophobicContact CG-CD1 4.13Å; L91-I93 HydrophobicContact CG-CG1 3.99Å; L91-I93 PolarHBondContact O-N 3.24Å
92T28.8Very low40.4Very low144 Ų144121.4 Ų121.488%0.88372%0.715SS**  trans-67.5104.2155450000108.9
93I37.6Very low38.8Very low140 Ų140128.8 Ų128.872%0.71873%0.733SS**  trans-129.5135.4157.5-61.1-172.7000108.5L91L91-I93 HydrophobicContact CD2-CD1 3.54Å; L91-I93 HydrophobicContact CD2-CG1 3.93Å; L91-I93 HydrophobicContact CG-CD1 4.13Å; L91-I93 HydrophobicContact CG-CG1 3.99Å; L91-I93 PolarHBondContact O-N 3.24Å
94Q30.1Very low38Very low189 Ų189130.5 Ų130.588%0.88374%0.742SS**  trans-58.9160-169-78.4159.8-85.100115.6
95E45.2Very low37.3Very low183 Ų183132.8 Ų132.886%0.85575%0.751SS**  trans-47.2132.7173.6-58.2-175.8142.500113.2
96D30.7Very low36.9Very low165 Ų165138.1 Ų138.188%0.88277%0.767SS**  trans-158.2124.9145.3-79.5-36.4000109
97G35.1Very low37Very low69 Ų69141.3 Ų141.371%0.71177%0.771SS**SBendtrans64.3106.7145.700000119
98S38.7Very low37.2Very low106 Ų106141.8 Ų141.874%0.74177%0.769SS**  trans5086.2148.1-60.30000115.9S100S98-S100 PolarHBondContact O-N 3.4Å; S98-S100 PolarHBondContact O-OG 3.01Å
99S40.6Very low37.7Very low140 Ų140139.4 Ų139.498%0.97976%0.759SS**  trans-68.767.7155.5-162.80000109.6
100S36Very low38.5Very low84 Ų84137.8 Ų137.859%0.58773%0.734SS**  trans-82.5146157.538.10000107.4S98S98-S100 PolarHBondContact O-N 3.4Å; S98-S100 PolarHBondContact O-OG 3.01Å
101M33Very low39.7Very low170 Ų170133.7 Ų133.784%0.83771%0.711SS**  trans105.648.3159.4-145.8-179.3-43.900117.5
102V41.9Very low40.8Very low98 Ų98132.5 Ų132.559%0.59471%0.708SS**  -130.253.8128.3-162.10000109.3L104V102-L104 HydrophobicContact CG1-CD1 4.04Å; V102-L104 HydrophobicContact CG1-CG 4.06Å; V102-L104 PolarHBondContact O-N 3.14Å; V102-L104 VanDerWaalsContact O-N 3.09Å
103R33.2Very low42.1Very low241 Ų241129.6 Ų129.691%0.90969%0.694SS**  trans-76.980.8152.9-83.2-163.4172.1148.90.4106.6S105R103-S105 PolarHBondContact O-N 2.88Å
104L37.8Very low43.1Very low135 Ų135123.6 Ų123.671%0.70767%0.665SS**  trans-64.387.6154.5-81.6164.5000105.6L76 V102 E106L76-L104 HydrophobicContact CD1-CD1 4.44Å; V102-L104 HydrophobicContact CG1-CD1 4.04Å; V102-L104 HydrophobicContact CG1-CG 4.06Å; V102-L104 PolarHBondContact O-N 3.14Å; V102-L104 VanDerWaalsContact O-N 3.09Å; L104-E106 PolarHBondContact O-N 3.29Å
105S35.7Very low44.6Very low87 Ų87116.9 Ų116.961%0.60864%0.635SS**  trans-46.8131.5178.162.80000108.9R103 K107R103-S105 PolarHBondContact O-N 2.88Å; S105-K107 PolarHBondContact O-N 3.01Å
106E38.8Very low45.5Very low200 Ų200115.6 Ų115.694%0.93563%0.626SS**  trans-56.362.3-174.5-62.7165.1116.600114.5L104 K108L104-E106 PolarHBondContact O-N 3.29Å; E106-K108 PolarHBondContact O-N 3.35Å
107K42Very low47.1Very low174 Ų174111.6 Ų111.676%0.75760%0.602SS**  trans-97.588.2164.4-68.1-171.6-178.8-179.70106.3S105 F109S105-K107 PolarHBondContact O-N 3.01Å; K107-F109 PolarHBondContact O-N 3.3Å
108K50.3Low48.5Very low139 Ų139108.4 Ų108.460%0.60457%0.569SS**  trans-35.8107.7166.1-96.5176.4174.2175.60108N28 E106 I110N28-K108 PolarHBondContact ND2-NZ 2.89Å; N28-K108 PolarHBondContact OD1-NZ 3.4Å; N28-K108 VanDerWaalsContact OD1-NZ 3.13Å; E106-K108 PolarHBondContact O-N 3.35Å; K108-I110 VanDerWaalsContact C-N 3.33Å; K108-I110 PolarHBondContact O-N 3.41Å
109F51.8Low49.6Very low148 Ų148107.7 Ų107.765%0.64956%0.555SS**  trans-78.583.6-168.6-148.8-89.4000108.7N69 K107 S111N69-F109 VanDerWaalsContact CG-O 3.26Å; N69-F109 PolarHBondContact ND2-O 3.02Å; N69-F109 PolarHBondContact OD1-O 2.64Å; N69-F109 VanDerWaalsContact OD1-O 3.04Å; K107-F109 PolarHBondContact O-N 3.3Å; F109-S111 PolarHBondContact O-N 3.24Å
110I56.1Low50.8Low31 Ų31103.6 Ų103.616%0.15953%0.526CS..  trans-65119173.1-62.5175.4000106.6V26 T65 K108 V112 L115 M118V26-I110 HydrophobicContact CB-CD1 4.32Å; V26-I110 HydrophobicContact CG1-CD1 4.13Å; V26-I110 WeakPolarHBondContact O-CD1 3.42Å; T65-I110 HydrophobicContact CG2-CB 4.48Å; T65-I110 HydrophobicContact CG2-CG2 4.27Å; K108-I110 VanDerWaalsContact C-N 3.33Å; K108-I110 PolarHBondContact O-N 3.41Å; I110-V112 PolarHBondContact O-N 3.15Å; I110-L115 HydrophobicContact CB-CD1 4.04Å; I110-L115 HydrophobicContact CB-CG 4.01Å; I110-L115 HydrophobicContact CG2-CB 4.35Å; I110-L115 HydrophobicContact CG2-CD1 4.24Å; I110-L115 HydrophobicContact CG2-CG 3.71Å; I110-L115 WeakPolarHBondContact O-CD1 3.37Å; I110-M118 HydrophobicContact CG2-CE 3.93Å
111S56.8Low51.9Low34 Ų34102.5 Ų102.524%0.23851%0.512CS..  trans-44132.4176.7165.20000109.4F109 S113 S114 L115F109-S111 PolarHBondContact O-N 3.24Å; S111-S113 PolarHBondContact O-N 3.05Å; S111-S113 VanDerWaalsContact O-N 3.07Å; S111-S113 PolarHBondContact OG-N 3.33Å; S111-S114 WeakPolarHBondContact O-CA 3.36Å; S111-S114 PolarHBondContact O-N 3.44Å; S111-L115 PolarHBondContact O-N 3.42Å
112V55.9Low52.8Low105 Ų10597.1 Ų97.164%0.63649%0.486SS*.Hα-helixtrans-54-31.8178.1-174.80000110.3I110 F116I110-V112 PolarHBondContact O-N 3.15Å; V112-F116 WeakPolarHBondContact O-CB 3.43Å; V112-F116 PolarHBondContact O-N 3.5Å
113S56.1Low53Low84 Ų84101.6 Ų101.659%0.58750%0.497SS*.Hα-helixtrans-65.4-46.3174.9-165.20000112S111 F116 H117S111-S113 PolarHBondContact O-N 3.05Å; S111-S113 VanDerWaalsContact O-N 3.07Å; S111-S113 PolarHBondContact OG-N 3.33Å; S113-F116 PolarHBondContact O-N 3.17Å; S113-H117 WeakPolarHBondContact O-CB 3.36Å; S113-H117 PolarHBondContact O-N 2.99Å
114S59.4Low53.4Low14 Ų1495.2 Ų95.210%0.09849%0.485CS..Hα-helixtrans-68.5-38.9177.3-54.20000112T65 S111 M118T65-S114 WeakPolarHBondContact OG1-CB 3.49Å; T65-S114 PolarHBondContact OG1-OG 3.08Å; S111-S114 WeakPolarHBondContact O-CA 3.36Å; S111-S114 PolarHBondContact O-N 3.44Å; S114-M118 WeakPolarHBondContact O-CB 3.45Å; S114-M118 WeakPolarHBondContact O-CE 3.39Å; S114-M118 WeakPolarHBondContact O-CG 3.42Å; S114-M118 PolarHBondContact O-N 3.32Å
115L60.9Low53.4Low48 Ų4893.5 Ų93.525%0.25148%0.484SS..Hα-helixtrans-61.6-44.9170.3-99.4165.1000110.9V26 I110 S111 M118 M119V26-L115 HydrophobicContact CG1-CD2 3.75Å; V26-L115 HydrophobicContact CG2-CD2 4.37Å; I110-L115 HydrophobicContact CB-CD1 4.04Å; I110-L115 HydrophobicContact CB-CG 4.01Å; I110-L115 HydrophobicContact CG2-CB 4.35Å; I110-L115 HydrophobicContact CG2-CD1 4.24Å; I110-L115 HydrophobicContact CG2-CG 3.71Å; I110-L115 WeakPolarHBondContact O-CD1 3.37Å; S111-L115 PolarHBondContact O-N 3.42Å; L115-M118 PolarHBondContact O-N 3.4Å; L115-M119 HydrophobicContact CD2-CE 3.79Å; L115-M119 HydrophobicContact CD2-CG 4.34Å; L115-M119 WeakPolarHBondContact O-CA 3.47Å; L115-M119 WeakPolarHBondContact O-CB 3.46Å; L115-M119 WeakPolarHBondContact O-CG 3.36Å; L115-M119 PolarHBondContact O-N 3.41Å
116F63.5Low53.4Low155 Ų155104.8 Ų104.868%0.6851%0.514SS*.Hα-helixtrans-66.7-41.6179.9-165.5-92.7000111.4V112 S113 M119 S120V112-F116 WeakPolarHBondContact O-CB 3.43Å; V112-F116 PolarHBondContact O-N 3.5Å; S113-F116 PolarHBondContact O-N 3.17Å; F116-M119 PolarHBondContact O-N 3.01Å; F116-S120 VanDerWaalsContact O-CB 3.24Å; F116-S120 WeakPolarHBondContact O-CB 3.42Å; F116-S120 PolarHBondContact O-N 3.21Å
117H65.1Low54.1Low82 Ų82100 Ų10038%0.3849%0.493SS..Hα-helixtrans-62-47.7174.6-13884.7000110.6D61 S113 S120 H121D61-H117 IonicContact OD2-CD2 3.93Å; S113-H117 WeakPolarHBondContact O-CB 3.36Å; S113-H117 PolarHBondContact O-N 2.99Å; H117-S120 PolarHBondContact O-OG 3.46Å; H117-H121 AromaticContact CD2-NE2 3.95Å; H117-H121 PolarHBondContact O-CD2 2.96Å; H117-H121 PolarHBondContact O-NE2 3.44Å
118M65.5Low54.8Low1 Ų196.1 Ų96.11%0.00548%0.479CS..Hα-helixtrans-66.8-37.8176.6-75.5-177.5-78.100113.5L25 V26 V62 I110 S114 L115 H121L25-M118 HydrophobicContact CB-SD 4.36Å; V26-M118 HydrophobicContact CG2-CB 4.01Å; V26-M118 HydrophobicContact CG2-CE 3.59Å; V26-M118 HydrophobicContact CG2-CG 4.34Å; V26-M118 HydrophobicContact CG2-SD 3.39Å; V26-M118 WeakPolarHBondContact CG2-SD 3.3Å; V62-M118 HydrophobicContact CG2-CE 3.82Å; V62-M118 HydrophobicContact CG2-SD 3.82Å; I110-M118 HydrophobicContact CG2-CE 3.93Å; S114-M118 WeakPolarHBondContact O-CB 3.45Å; S114-M118 WeakPolarHBondContact O-CE 3.39Å; S114-M118 WeakPolarHBondContact O-CG 3.42Å; S114-M118 PolarHBondContact O-N 3.32Å; L115-M118 PolarHBondContact O-N 3.4Å; M118-H121 PolarHBondContact O-N 2.81Å
119M61.1Low55Low91 Ų9193.7 Ų93.745%0.44847%0.472SS..Hα-helixtrans-75.3-32179.5-71.7-105.7-17600112.6L115 F116 H121 L122L115-M119 HydrophobicContact CD2-CE 3.79Å; L115-M119 HydrophobicContact CD2-CG 4.34Å; L115-M119 WeakPolarHBondContact O-CA 3.47Å; L115-M119 WeakPolarHBondContact O-CB 3.46Å; L115-M119 WeakPolarHBondContact O-CG 3.36Å; L115-M119 PolarHBondContact O-N 3.41Å; F116-M119 PolarHBondContact O-N 3.01Å; M119-H121 PolarHBondContact O-N 3.42Å; M119-H121 VanDerWaalsContact O-N 3.14Å; M119-L122 WeakPolarHBondContact O-CB 3.29Å; M119-L122 PolarHBondContact O-N 3.09Å
120S65.6Low55.2Low55 Ų5590.5 Ų90.539%0.38546%0.461SS..Hα-helixtrans-56.6-29.9173.7770000111.2F116 H117F116-S120 VanDerWaalsContact O-CB 3.24Å; F116-S120 WeakPolarHBondContact O-CB 3.42Å; F116-S120 PolarHBondContact O-N 3.21Å; H117-S120 PolarHBondContact O-OG 3.46Å
121H58.4Low55.2Low61 Ų6194.3 Ų94.328%0.28248%0.48SS..THydrogen-bonded Turntrans-83.3-13.7177.7-58.7-37.3000114.4K54 H117 M118 M119K54-H121 WeakPolarHBondContact CE-CD2 3.4Å; K54-H121 VanDerWaalsContact CE-CE1 3.45Å; K54-H121 WeakPolarHBondContact CE-CE1 3.48Å; K54-H121 WeakPolarHBondContact CE-ND1 3.38Å; K54-H121 WeakPolarHBondContact CE-NE2 3.4Å; K54-H121 VanDerWaalsContact NZ-CG 3.27Å; K54-H121 PolarHBondContact NZ-ND1 2.8Å; K54-H121 VanDerWaalsContact NZ-ND1 3.1Å; H117-H121 AromaticContact CD2-NE2 3.95Å; H117-H121 PolarHBondContact O-CD2 2.96Å; H117-H121 PolarHBondContact O-NE2 3.44Å; M118-H121 PolarHBondContact O-N 2.81Å; M119-H121 PolarHBondContact O-N 3.42Å; M119-H121 VanDerWaalsContact O-N 3.14Å
122L52.4Low55Low57 Ų5798.3 Ų98.330%0.29850%0.496SS..THydrogen-bonded Turntrans-82.4-17.8173.2-89.7136.2000112.9K19 M119K19-L122 HydrophobicContact CG-CD2 4.15Å; M119-L122 WeakPolarHBondContact O-CB 3.29Å; M119-L122 PolarHBondContact O-N 3.09Å
123K47Very low55Low191 Ų19197.8 Ų97.883%0.8349%0.486SS*.  trans-87.86-172.4-105.8176.1176.11680116.7S125K123-S125 PolarHBondContact O-N 3.19Å
124V41.4Very low54.9Low107 Ų10798.8 Ų98.865%0.64848%0.479SS*.  trans-9183171.9-176.40000110.8
125S37Very low54.5Low99 Ų99105.9 Ų105.969%0.69251%0.51SS*.  trans169.290.9145.5-103.20000109.2K123K123-S125 PolarHBondContact O-N 3.19Å
126R36.5Very low53.9Low324 Ų324111.2 Ų111.2100%1.22353%0.534SS*.  trans-124.70130.5-90.8-170178.1-174.3-0.6106.6

Retrieved 126 of 126 residues in 44.5 ms (Link to these results)

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