A0A087YIJ2_POEFO Loading...

Phosphatidylinositol N-acetylglucosaminyltransferase subunit P

Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.

AlphaFold DB , UniProt , Accession A0A087YIJ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 129 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
1M49Very low73.7Confident241 Ų241117.9 Ų117.9100%1.18766%0.66SS**  0114.70-144.4167.2-176.200105.4E3M1-E3 PolarHBondContact O-N 3.33Å
2V58.6Low74.7Confident125 Ų125117 Ų11776%0.75864%0.639SS**  trans-71.9112.3178.51740000107N4V2-N4 PolarHBondContact O-N 2.82Å
3E67.9Low75.9Confident157 Ų157113.2 Ų113.273%0.73463%0.633SS**  trans-77.291.6-179.2-160.9166.9176.600108.8M1 S5M1-E3 PolarHBondContact O-N 3.33Å; E3-S5 PolarHBondContact O-N 3.35Å
4N69.2Low77.1Confident141 Ų141112.6 Ų112.675%0.75463%0.626SS**  trans-8060.8173.3-81-57.6000110.1V2V2-N4 PolarHBondContact O-N 2.82Å
5S77.8Confident78.1Confident26 Ų26116.7 Ų116.718%0.18263%0.63CS.*  trans-88137.3169.5600000109.1E3 S7 R12E3-S5 PolarHBondContact O-N 3.35Å; S5-S7 PolarHBondContact O-N 3.1Å; S5-S7 VanDerWaalsContact O-N 3.16Å; S5-S7 PolarHBondContact OG-OG 3.21Å; S5-R12 PolarHBondContact O-NH1 3.24Å; S5-R12 PolarHBondContact O-NH2 2.91Å
6P76.2Confident79Confident128 Ų128111.9 Ų111.983%0.83162%0.616SS**  trans-72.93.5173.330.6-35000112.4
7S78.4Confident79.9Confident51 Ų51112.7 Ų112.736%0.35761%0.612SS.*SBendtrans-64.6147.5-176.8570000111.4S5 L9 R12S5-S7 PolarHBondContact O-N 3.1Å; S5-S7 VanDerWaalsContact O-N 3.16Å; S5-S7 PolarHBondContact OG-OG 3.21Å; S7-L9 PolarHBondContact O-N 3.27Å; S7-R12 PolarHBondContact O-NH1 3.44Å
8P76.9Confident80.8Confident132 Ų132111.5 Ų111.586%0.85761%0.609SS**  trans-66.4104.5174.126.7-32.4000108.8
9L84.5Confident81.6Confident59 Ų59112.4 Ų112.431%0.30961%0.612SS.*  trans-96.1138.8175.6-70.3163.4000109.1S7 E11 R12 A13S7-L9 PolarHBondContact O-N 3.27Å; L9-E11 PolarHBondContact O-N 3.46Å; L9-E11 VanDerWaalsContact O-N 3.15Å; L9-R12 HydrophobicContact CB-CG 4.28Å; L9-R12 WeakPolarHBondContact O-CB 3.44Å; L9-R12 PolarHBondContact O-N 2.92Å; L9-A13 PolarHBondContact O-N 3.46Å
10P85.8Confident82.4Confident103 Ų103112.2 Ų112.267%0.66961%0.605SS**Hα-helixtrans-52.5-36.8175.8-27.534.7000113R12 A13 I14P10-R12 VanDerWaalsContact C-N 3.34Å; P10-R12 PolarHBondContact O-N 3.36Å; P10-A13 WeakPolarHBondContact O-CB 3.47Å; P10-A13 PolarHBondContact O-N 3Å; P10-I14 WeakPolarHBondContact O-CG1 3.35Å; P10-I14 PolarHBondContact O-N 3.36Å; P10-I14 VanDerWaalsContact O-N 3.12Å
11E86Confident83.1Confident134 Ų134111 Ų11163%0.62660%0.599SS**Hα-helixtrans-59.8-40.6176.9-61.9179.7176.700112.8L9 A13 I14 Y15L9-E11 PolarHBondContact O-N 3.46Å; L9-E11 VanDerWaalsContact O-N 3.15Å; E11-A13 VanDerWaalsContact C-N 3.33Å; E11-A13 PolarHBondContact O-N 3.01Å; E11-I14 PolarHBondContact O-N 3.31Å; E11-Y15 WeakPolarHBondContact O-CD2 3.44Å; E11-Y15 PolarHBondContact O-N 2.98Å
12R86.6Confident85.5Confident107 Ų107101.7 Ų101.740%0.40456%0.564SS.*Hα-helixtrans-66.9-36176.6-68.2-177.2179166.34.4112.2S5 S7 L9 P10 I14 Y15 G16S5-R12 PolarHBondContact O-NH1 3.24Å; S5-R12 PolarHBondContact O-NH2 2.91Å; S7-R12 PolarHBondContact O-NH1 3.44Å; L9-R12 HydrophobicContact CB-CG 4.28Å; L9-R12 WeakPolarHBondContact O-CB 3.44Å; L9-R12 PolarHBondContact O-N 2.92Å; P10-R12 VanDerWaalsContact C-N 3.34Å; P10-R12 PolarHBondContact O-N 3.36Å; R12-I14 VanDerWaalsContact C-N 3.31Å; R12-I14 PolarHBondContact O-N 3.12Å; R12-Y15 PolarHBondContact O-N 3.21Å; R12-G16 PolarHBondContact O-N 3.03Å
13A89.2Confident87.3Confident68 Ų6898.6 Ų98.656%0.56255%0.548SS*.Hα-helixtrans-65-36.5175.800000111.7L9 P10 E11 G16 F17L9-A13 PolarHBondContact O-N 3.46Å; P10-A13 WeakPolarHBondContact O-CB 3.47Å; P10-A13 PolarHBondContact O-N 3Å; E11-A13 VanDerWaalsContact C-N 3.33Å; E11-A13 PolarHBondContact O-N 3.01Å; A13-G16 PolarHBondContact O-N 2.57Å; A13-F17 WeakPolarHBondContact O-CB 3.4Å; A13-F17 PolarHBondContact O-N 3.45Å
14I93.6Very high88.7Confident104 Ų10494.9 Ų94.953%0.53353%0.53SS..Hα-helixtrans-62.7-47176.4-64.4166.6000110.6P10 E11 R12 G16 F17 V18P10-I14 WeakPolarHBondContact O-CG1 3.35Å; P10-I14 PolarHBondContact O-N 3.36Å; P10-I14 VanDerWaalsContact O-N 3.12Å; E11-I14 PolarHBondContact O-N 3.31Å; R12-I14 VanDerWaalsContact C-N 3.31Å; R12-I14 PolarHBondContact O-N 3.12Å; I14-G16 VanDerWaalsContact C-N 3.34Å; I14-G16 PolarHBondContact O-N 2.74Å; I14-F17 PolarHBondContact O-N 3.19Å; I14-V18 HydrophobicContact CG2-CG2 4.29Å; I14-V18 WeakPolarHBondContact O-CG2 3.36Å; I14-V18 PolarHBondContact O-N 2.98Å
15Y91Very high90.1Very high175 Ų17594.7 Ų94.769%0.68652%0.523SS*.Hα-helixtrans-59.9-44177.5-66.4-60.6000112.3E11 R12 F17 V18 L19E11-Y15 WeakPolarHBondContact O-CD2 3.44Å; E11-Y15 PolarHBondContact O-N 2.98Å; R12-Y15 PolarHBondContact O-N 3.21Å; Y15-F17 VanDerWaalsContact C-N 3.33Å; Y15-F17 PolarHBondContact O-N 3.39Å; Y15-V18 PolarHBondContact O-N 2.9Å; Y15-L19 VanDerWaalsContact O-CB 3.32Å; Y15-L19 WeakPolarHBondContact O-CB 3.39Å; Y15-L19 PolarHBondContact O-N 2.94Å
16G92.5Very high91Very high40 Ų4095.2 Ų95.241%0.41253%0.532SS..Hα-helixtrans-61.2-41.5175.800000112.6R12 A13 I14 L19 F20R12-G16 PolarHBondContact O-N 3.03Å; A13-G16 PolarHBondContact O-N 2.57Å; I14-G16 VanDerWaalsContact C-N 3.34Å; I14-G16 PolarHBondContact O-N 2.74Å; G16-L19 PolarHBondContact O-N 3.33Å; G16-F20 WeakPolarHBondContact O-CB 3.18Å; G16-F20 PolarHBondContact O-N 3.37Å
17F94.8Very high91.9Very high125 Ų12594.7 Ų94.755%0.54852%0.517SS..Hα-helixtrans-67.3-43.7178.2-177.3-111.2000112.7A13 I14 Y15 L19 F20 L21A13-F17 WeakPolarHBondContact O-CB 3.4Å; A13-F17 PolarHBondContact O-N 3.45Å; I14-F17 PolarHBondContact O-N 3.19Å; Y15-F17 VanDerWaalsContact C-N 3.33Å; Y15-F17 PolarHBondContact O-N 3.39Å; F17-L19 VanDerWaalsContact C-N 3.34Å; F17-F20 WeakPolarHBondContact O-CB 3.45Å; F17-F20 PolarHBondContact O-N 3.19Å; F17-L21 HydrophobicContact CD1-CD1 4.09Å; F17-L21 HydrophobicContact CE1-CD1 3.47Å; F17-L21 VanDerWaalsContact CE1-CD1 3.47Å; F17-L21 HydrophobicContact CE1-CG 4.21Å; F17-L21 HydrophobicContact CE2-CD1 4.34Å; F17-L21 HydrophobicContact CE2-CD2 4.44Å; F17-L21 HydrophobicContact CE2-CG 4.27Å; F17-L21 HydrophobicContact CZ-CD1 3.62Å; F17-L21 HydrophobicContact CZ-CD2 4.28Å; F17-L21 HydrophobicContact CZ-CG 4.03Å; F17-L21 PolarHBondContact O-N 3.29Å
18V96.8Very high92.9Very high91 Ų9198.6 Ų98.655%0.55253%0.528SS*.Hα-helixtrans-62.6-43.6175.3173.10000110.6I14 Y15 F20 L21 G22I14-V18 HydrophobicContact CG2-CG2 4.29Å; I14-V18 WeakPolarHBondContact O-CG2 3.36Å; I14-V18 PolarHBondContact O-N 2.98Å; Y15-V18 PolarHBondContact O-N 2.9Å; V18-F20 VanDerWaalsContact C-N 3.34Å; V18-F20 PolarHBondContact O-N 3.42Å; V18-L21 PolarHBondContact O-N 2.98Å; V18-G22 PolarHBondContact O-N 3.36Å
19L96.3Very high93.7Very high128 Ų12896.5 Ų96.567%0.6751%0.509SS*.Hα-helixtrans-60.6-43.8175.8-177.665.7000111.3Y15 G16 F17 G22 S23Y15-L19 VanDerWaalsContact O-CB 3.32Å; Y15-L19 WeakPolarHBondContact O-CB 3.39Å; Y15-L19 PolarHBondContact O-N 2.94Å; G16-L19 PolarHBondContact O-N 3.33Å; F17-L19 VanDerWaalsContact C-N 3.34Å; L19-G22 PolarHBondContact O-N 2.86Å; L19-S23 WeakPolarHBondContact O-CB 3.39Å; L19-S23 PolarHBondContact O-N 3.46Å; L19-S23 PolarHBondContact O-OG 2.95Å; L19-S23 VanDerWaalsContact O-OG 3.13Å
20F96.6Very high94.2Very high109 Ų10996.8 Ų96.848%0.47851%0.507SS..Hα-helixtrans-60.6-48.8177.1171.2-102.8000112.3G16 F17 V18 G22 S23 Q24G16-F20 WeakPolarHBondContact O-CB 3.18Å; G16-F20 PolarHBondContact O-N 3.37Å; F17-F20 WeakPolarHBondContact O-CB 3.45Å; F17-F20 PolarHBondContact O-N 3.19Å; V18-F20 VanDerWaalsContact C-N 3.34Å; V18-F20 PolarHBondContact O-N 3.42Å; F20-G22 PolarHBondContact O-N 2.95Å; F20-S23 WeakPolarHBondContact CA-OG 3.35Å; F20-S23 PolarHBondContact O-N 2.62Å; F20-S23 PolarHBondContact O-OG 3.13Å; F20-Q24 HydrophobicContact CD2-CG 4.2Å; F20-Q24 HydrophobicContact CE1-CG 4.27Å; F20-Q24 HydrophobicContact CE2-CG 3.83Å; F20-Q24 HydrophobicContact CZ-CG 3.87Å; F20-Q24 WeakPolarHBondContact O-CB 3.36Å; F20-Q24 WeakPolarHBondContact O-CG 3.45Å; F20-Q24 PolarHBondContact O-N 2.8Å
21L98.1Very high94.6Very high88 Ų8893.3 Ų93.346%0.46148%0.484SS..Hα-helixtrans-62.9-44.1177.6-70.1-179.6000111.6F17 V18 Q24 F25F17-L21 HydrophobicContact CD1-CD1 4.09Å; F17-L21 HydrophobicContact CE1-CD1 3.47Å; F17-L21 VanDerWaalsContact CE1-CD1 3.47Å; F17-L21 HydrophobicContact CE1-CG 4.21Å; F17-L21 HydrophobicContact CE2-CD1 4.34Å; F17-L21 HydrophobicContact CE2-CD2 4.44Å; F17-L21 HydrophobicContact CE2-CG 4.27Å; F17-L21 HydrophobicContact CZ-CD1 3.62Å; F17-L21 HydrophobicContact CZ-CD2 4.28Å; F17-L21 HydrophobicContact CZ-CG 4.03Å; F17-L21 PolarHBondContact O-N 3.29Å; V18-L21 PolarHBondContact O-N 2.98Å; L21-Q24 PolarHBondContact O-N 3.48Å; L21-F25 WeakPolarHBondContact O-CB 3.12Å; L21-F25 PolarHBondContact O-N 3.42Å
22G98.1Very high95.1Very high44 Ų4492.4 Ų92.445%0.45448%0.483SS..Hα-helixtrans-62.2-42.8177.400000112.6V18 L19 F20 F25 G26V18-G22 PolarHBondContact O-N 3.36Å; L19-G22 PolarHBondContact O-N 2.86Å; F20-G22 PolarHBondContact O-N 2.95Å; G22-F25 PolarHBondContact O-N 2.98Å; G22-G26 PolarHBondContact O-N 3.4Å
23S97Very high95.3Very high60 Ų6088.6 Ų88.642%0.4247%0.469SS..Hα-helixtrans-67-41.4178.164.50000111.9L19 F20 G26 F27L19-S23 WeakPolarHBondContact O-CB 3.39Å; L19-S23 PolarHBondContact O-N 3.46Å; L19-S23 PolarHBondContact O-OG 2.95Å; L19-S23 VanDerWaalsContact O-OG 3.13Å; F20-S23 WeakPolarHBondContact CA-OG 3.35Å; F20-S23 PolarHBondContact O-N 2.62Å; F20-S23 PolarHBondContact O-OG 3.13Å; S23-G26 PolarHBondContact O-N 3.35Å; S23-F27 VanDerWaalsContact O-CB 3.24Å; S23-F27 WeakPolarHBondContact O-CB 3.48Å; S23-F27 PolarHBondContact O-N 2.91Å
24Q97.9Very high95.6Very high80 Ų8086.7 Ų86.737%0.37445%0.453SS..Hα-helixtrans-62-49176.3-71.1-65.397.600110.7F20 L21 F27 F28F20-Q24 HydrophobicContact CD2-CG 4.2Å; F20-Q24 HydrophobicContact CE1-CG 4.27Å; F20-Q24 HydrophobicContact CE2-CG 3.83Å; F20-Q24 HydrophobicContact CZ-CG 3.87Å; F20-Q24 WeakPolarHBondContact O-CB 3.36Å; F20-Q24 WeakPolarHBondContact O-CG 3.45Å; F20-Q24 PolarHBondContact O-N 2.8Å; L21-Q24 PolarHBondContact O-N 3.48Å; Q24-F27 PolarHBondContact O-N 3.26Å; Q24-F28 WeakPolarHBondContact O-CD2 3.29Å; Q24-F28 PolarHBondContact O-N 2.87Å
25F98.1Very high95.6Very high137 Ų13791 Ų9160%0.60146%0.464SS*.Hα-helixtrans-60.7-47.5178.4179.7-107.8000112.2L21 G22 F27 F28 L29L21-F25 WeakPolarHBondContact O-CB 3.12Å; L21-F25 PolarHBondContact O-N 3.42Å; G22-F25 PolarHBondContact O-N 2.98Å; F25-F27 VanDerWaalsContact C-N 3.32Å; F25-F27 PolarHBondContact O-N 3.42Å; F25-F28 PolarHBondContact O-N 3.41Å; F25-L29 HydrophobicContact CD1-CD1 4.03Å; F25-L29 HydrophobicContact CE1-CD1 3.44Å; F25-L29 VanDerWaalsContact CE1-CD1 3.44Å; F25-L29 HydrophobicContact CE1-CG 4.19Å; F25-L29 HydrophobicContact CE2-CD1 4.46Å; F25-L29 HydrophobicContact CE2-CG 4.42Å; F25-L29 HydrophobicContact CZ-CD1 3.69Å; F25-L29 HydrophobicContact CZ-CD2 4.33Å; F25-L29 HydrophobicContact CZ-CG 4.11Å; F25-L29 PolarHBondContact O-N 3.49Å
26G96.6Very high95.7Very high36 Ų3684.5 Ų84.537%0.37144%0.442SS..Hα-helixtrans-60.2-40.1175.900000112.8G22 S23 L29 Y30G22-G26 PolarHBondContact O-N 3.4Å; S23-G26 PolarHBondContact O-N 3.35Å; G26-L29 PolarHBondContact O-N 3.02Å; G26-Y30 WeakPolarHBondContact O-CB 3.37Å; G26-Y30 PolarHBondContact O-N 2.87Å
27F95.8Very high95.7Very high117 Ų11785.5 Ų85.551%0.51344%0.442SS..Hα-helixtrans-64.6-41.3176-178.4-106.5000112.4S23 Q24 F25 Y30 C31S23-F27 VanDerWaalsContact O-CB 3.24Å; S23-F27 WeakPolarHBondContact O-CB 3.48Å; S23-F27 PolarHBondContact O-N 2.91Å; Q24-F27 PolarHBondContact O-N 3.26Å; F25-F27 VanDerWaalsContact C-N 3.32Å; F25-F27 PolarHBondContact O-N 3.42Å; F27-Y30 WeakPolarHBondContact O-CB 3.21Å; F27-Y30 PolarHBondContact O-N 2.88Å; F27-C31 VanDerWaalsContact CZ-SG 3.58Å; F27-C31 PolarHBondContact O-N 3.44Å; F27-C31 PolarHBondContact O-SG 3.49Å
28F97.8Very high95.6Very high133 Ų13384 Ų8458%0.58344%0.436SS*.Hα-helixtrans-62-45.1174.1-78.4-65.4000112Q24 F25 Y30 C31 L32Q24-F28 WeakPolarHBondContact O-CD2 3.29Å; Q24-F28 PolarHBondContact O-N 2.87Å; F25-F28 PolarHBondContact O-N 3.41Å; F28-Y30 VanDerWaalsContact C-N 3.31Å; F28-Y30 PolarHBondContact O-N 3.4Å; F28-C31 PolarHBondContact O-N 3.33Å; F28-L32 VanDerWaalsContact O-CB 3.31Å; F28-L32 WeakPolarHBondContact O-CB 3.41Å; F28-L32 PolarHBondContact O-N 3.3Å
29L95.2Very high95.3Very high88 Ų8887.2 Ų87.246%0.46145%0.445SS..Hα-helixtrans-61.9-40.2175.7-69.9-178.6000112F25 G26 L32 W33F25-L29 HydrophobicContact CD1-CD1 4.03Å; F25-L29 HydrophobicContact CE1-CD1 3.44Å; F25-L29 VanDerWaalsContact CE1-CD1 3.44Å; F25-L29 HydrophobicContact CE1-CG 4.19Å; F25-L29 HydrophobicContact CE2-CD1 4.46Å; F25-L29 HydrophobicContact CE2-CG 4.42Å; F25-L29 HydrophobicContact CZ-CD1 3.69Å; F25-L29 HydrophobicContact CZ-CD2 4.33Å; F25-L29 HydrophobicContact CZ-CG 4.11Å; F25-L29 PolarHBondContact O-N 3.49Å; G26-L29 PolarHBondContact O-N 3.02Å; L29-L32 PolarHBondContact O-N 2.84Å; L29-W33 WeakPolarHBondContact O-CB 3.3Å; L29-W33 PolarHBondContact O-N 3.49Å
30Y94.6Very high95.2Very high66 Ų6689.2 Ų89.226%0.25944%0.444SS..Hα-helixtrans-61.2-48.6175.9175.2-97.8000111.9G26 F27 F28 W33 A34 A55 P59G26-Y30 WeakPolarHBondContact O-CB 3.37Å; G26-Y30 PolarHBondContact O-N 2.87Å; F27-Y30 WeakPolarHBondContact O-CB 3.21Å; F27-Y30 PolarHBondContact O-N 2.88Å; F28-Y30 VanDerWaalsContact C-N 3.31Å; F28-Y30 PolarHBondContact O-N 3.4Å; Y30-W33 HydrophobicContact CD2-CE3 4.21Å; Y30-W33 HydrophobicContact CD2-CZ3 4.3Å; Y30-W33 HydrophobicContact CE2-CE3 4.33Å; Y30-W33 AromaticContact CE2-CZ3 3.98Å; Y30-W33 HydrophobicContact CE2-CZ3 3.98Å; Y30-W33 PolarHBondContact O-N 3.24Å; Y30-A34 VanDerWaalsContact O-CB 3.3Å; Y30-A34 WeakPolarHBondContact O-CB 3.07Å; Y30-A34 PolarHBondContact O-N 3.38Å; Y30-A55 WeakPolarHBondContact OH-CA 3.31Å; Y30-A55 PolarHBondContact OH-O 3.41Å; Y30-P59 WeakPolarHBondContact OH-CD 3.47Å; Y30-P59 WeakPolarHBondContact OH-CG 3.46Å
31C95.1Very high94.9Very high29 Ų2985.1 Ų85.120%0.19643%0.427CS..Hα-helixtrans-63.3-45.6176.7-73.30000111.5F27 F28 W33 A34 Y35F27-C31 VanDerWaalsContact CZ-SG 3.58Å; F27-C31 PolarHBondContact O-N 3.44Å; F27-C31 PolarHBondContact O-SG 3.49Å; F28-C31 PolarHBondContact O-N 3.33Å; C31-W33 VanDerWaalsContact C-N 3.32Å; C31-W33 PolarHBondContact O-N 2.92Å; C31-A34 PolarHBondContact O-N 2.94Å; C31-A34 VanDerWaalsContact O-N 3.13Å; C31-Y35 HydrophobicContact CB-CD2 4.31Å; C31-Y35 HydrophobicContact CB-CE2 4.36Å; C31-Y35 WeakPolarHBondContact O-CD2 3.39Å; C31-Y35 PolarHBondContact O-N 3.39Å
32L94.6Very high94.6Very high116 Ų11685.5 Ų85.561%0.60743%0.426SS*.Hα-helixtrans-55.6-50.9176.4-172.4105.5000110.1F28 L29 A34 V36F28-L32 VanDerWaalsContact O-CB 3.31Å; F28-L32 WeakPolarHBondContact O-CB 3.41Å; F28-L32 PolarHBondContact O-N 3.3Å; L29-L32 PolarHBondContact O-N 2.84Å; L32-A34 PolarHBondContact O-N 3.04Å; L32-V36 HydrophobicContact CG-CG2 4.22Å; L32-V36 VanDerWaalsContact O-CB 3.29Å; L32-V36 WeakPolarHBondContact O-CB 3.34Å; L32-V36 WeakPolarHBondContact O-CG2 3.42Å; L32-V36 PolarHBondContact O-N 3.46Å
33W92.4Very high94.4Very high26 Ų2688 Ų8810%0.09844%0.437CS..Hα-helixtrans-59.9-46.8174.6167.572.4000111.7L29 Y30 C31 Y35 W49 P50 K52 W54 A55L29-W33 WeakPolarHBondContact O-CB 3.3Å; L29-W33 PolarHBondContact O-N 3.49Å; Y30-W33 HydrophobicContact CD2-CE3 4.21Å; Y30-W33 HydrophobicContact CD2-CZ3 4.3Å; Y30-W33 HydrophobicContact CE2-CE3 4.33Å; Y30-W33 AromaticContact CE2-CZ3 3.98Å; Y30-W33 HydrophobicContact CE2-CZ3 3.98Å; Y30-W33 PolarHBondContact O-N 3.24Å; C31-W33 VanDerWaalsContact C-N 3.32Å; C31-W33 PolarHBondContact O-N 2.92Å; W33-Y35 VanDerWaalsContact C-N 3.34Å; W33-Y35 PolarHBondContact O-N 2.86Å; W33-W49 HydrophobicContact CB-CZ3 4.1Å; W33-W49 AromaticContact CD1-CE3 3.08Å; W33-W49 AromaticContact CD1-CZ3 3.24Å; W33-W49 AromaticContact CG-CE3 3.96Å; W33-W49 HydrophobicContact CG-CE3 3.96Å; W33-W49 AromaticContact CG-CZ3 3.74Å; W33-W49 HydrophobicContact CG-CZ3 3.74Å; W33-W49 AromaticContact NE1-CE3 3.31Å; W33-W49 VanDerWaalsContact NE1-CE3 3.31Å; W33-W49 AromaticContact NE1-CZ3 3.92Å; W33-P50 HydrophobicContact CZ2-CB 4.35Å; W33-P50 HydrophobicContact CZ2-CG 3.92Å; W33-P50 WeakPolarHBondContact CZ2-O 3.36Å; W33-K52 HydrophobicContact CZ2-CD 4.29Å; W33-K52 PolarHBondContact O-NZ 3.21Å; W33-W54 HydrophobicContact CH2-CB 4.16Å; W33-A55 HydrophobicContact CH2-CB 4.06Å; W33-A55 HydrophobicContact CZ3-CB 3.67Å
34A94.1Very high94.2Very high28 Ų2890.6 Ų90.623%0.23145%0.45CS..Hα-helixtrans-61.4-39.7-175.700000113Y30 C31 L32 A55Y30-A34 VanDerWaalsContact O-CB 3.3Å; Y30-A34 WeakPolarHBondContact O-CB 3.07Å; Y30-A34 PolarHBondContact O-N 3.38Å; C31-A34 PolarHBondContact O-N 2.94Å; C31-A34 VanDerWaalsContact O-N 3.13Å; L32-A34 PolarHBondContact O-N 3.04Å; A34-A55 HydrophobicContact CB-CB 3.9Å
35Y93.9Very high93.9Very high195 Ų19589.3 Ų89.377%0.76546%0.458SS*.Hα-helixtrans-92.7-20.7-175.1-67.8-68.7000114.7C31 W33 P37C31-Y35 HydrophobicContact CB-CD2 4.31Å; C31-Y35 HydrophobicContact CB-CE2 4.36Å; C31-Y35 WeakPolarHBondContact O-CD2 3.39Å; C31-Y35 PolarHBondContact O-N 3.39Å; W33-Y35 VanDerWaalsContact C-N 3.34Å; W33-Y35 PolarHBondContact O-N 2.86Å; Y35-P37 WeakPolarHBondContact O-CD 3.29Å
36V93.8Very high93.5Very high38 Ų3886.1 Ų86.123%0.2345%0.447CS..SBendtrans-70.5126177.4169.20000110.2L32 W40 L41 K52L32-V36 HydrophobicContact CG-CG2 4.22Å; L32-V36 VanDerWaalsContact O-CB 3.29Å; L32-V36 WeakPolarHBondContact O-CB 3.34Å; L32-V36 WeakPolarHBondContact O-CG2 3.42Å; L32-V36 PolarHBondContact O-N 3.46Å; V36-W40 HydrophobicContact CG1-CB 4.14Å; V36-L41 HydrophobicContact CG1-CD1 4.09Å; V36-L41 HydrophobicContact CG1-CG 3.97Å; V36-K52 WeakPolarHBondContact O-CE 3.28Å; V36-K52 PolarHBondContact O-NZ 2.85Å
37P92.7Very high93.2Very high62 Ų6288 Ų8840%0.40345%0.451SS..  trans-59.8146.9177.5-23.433.5000112.9Y35 E39 W40 L41Y35-P37 WeakPolarHBondContact O-CD 3.29Å; P37-E39 VanDerWaalsContact C-N 3.27Å; P37-E39 PolarHBondContact O-N 3.45Å; P37-W40 PolarHBondContact O-N 3.3Å; P37-L41 PolarHBondContact O-N 3.44Å
38E91.2Very high92.7Very high94 Ų9493.1 Ų93.144%0.43947%0.469SS..Hα-helixtrans-62-34.2178.5-69.1-178.3178.900112.5W40 L41 H42 K52E38-W40 VanDerWaalsContact C-N 3.25Å; E38-W40 PolarHBondContact O-N 3.36Å; E38-L41 WeakPolarHBondContact O-CB 3.14Å; E38-L41 PolarHBondContact O-N 2.92Å; E38-L41 VanDerWaalsContact O-N 3.1Å; E38-H42 WeakPolarHBondContact O-CB 3.31Å; E38-H42 PolarHBondContact O-CD2 3.36Å; E38-H42 VanDerWaalsContact O-CG 3.26Å; E38-H42 PolarHBondContact O-N 2.88Å; E38-K52 HydrophobicContact CG-CG 4.26Å; E38-K52 WeakPolarHBondContact OE1-CG 3.48Å
39E91.9Very high92.1Very high157 Ų15792.9 Ų92.973%0.73446%0.464SS*.Hα-helixtrans-58.3-38.1177.3-61.4-176.6-175.800112.6P37 H42 S43P37-E39 VanDerWaalsContact C-N 3.27Å; P37-E39 PolarHBondContact O-N 3.45Å; E39-H42 PolarHBondContact O-N 2.97Å; E39-S43 PolarHBondContact O-N 3.47Å
40W93.4Very high91.8Very high171 Ų17192.2 Ų92.265%0.64847%0.465SS*.Hα-helixtrans-73.3-35.6178-68.717.7000111.4V36 P37 E38 S43 V44V36-W40 HydrophobicContact CG1-CB 4.14Å; P37-W40 PolarHBondContact O-N 3.3Å; E38-W40 VanDerWaalsContact C-N 3.25Å; E38-W40 PolarHBondContact O-N 3.36Å; W40-S43 PolarHBondContact O-OG 3.42Å; W40-V44 WeakPolarHBondContact O-CG2 3.29Å; W40-V44 PolarHBondContact O-N 3.03Å
41L91.3Very high91.7Very high22 Ų2295.6 Ų95.612%0.11548%0.483CS..Hα-helixtrans-64.9-43.7172.8-75.6150.4000110.4V36 P37 E38 S43 V44 G45 L46V36-L41 HydrophobicContact CG1-CD1 4.09Å; V36-L41 HydrophobicContact CG1-CG 3.97Å; P37-L41 PolarHBondContact O-N 3.44Å; E38-L41 WeakPolarHBondContact O-CB 3.14Å; E38-L41 PolarHBondContact O-N 2.92Å; E38-L41 VanDerWaalsContact O-N 3.1Å; L41-S43 VanDerWaalsContact C-N 3.35Å; L41-S43 PolarHBondContact O-N 3.42Å; L41-V44 PolarHBondContact O-N 2.99Å; L41-G45 PolarHBondContact O-N 3.49Å; L41-L46 HydrophobicContact CB-CB 4.28Å; L41-L46 HydrophobicContact CD2-CB 4.22Å; L41-L46 HydrophobicContact CD2-CD1 3.79Å; L41-L46 WeakPolarHBondContact O-CB 3.48Å; L41-L46 PolarHBondContact O-N 3.19Å
42H91.6Very high91.6Very high96 Ų9696.5 Ų96.544%0.44448%0.484SS..Hα-helixtrans-64-37.1178.6-69.6-178000112.5E38 E39 V44 G45 L46E38-H42 WeakPolarHBondContact O-CB 3.31Å; E38-H42 PolarHBondContact O-CD2 3.36Å; E38-H42 VanDerWaalsContact O-CG 3.26Å; E38-H42 PolarHBondContact O-N 2.88Å; E39-H42 PolarHBondContact O-N 2.97Å; H42-V44 VanDerWaalsContact C-N 3.25Å; H42-V44 PolarHBondContact O-N 3.36Å; H42-G45 PolarHBondContact O-N 2.89Å; H42-L46 PolarHBondContact CD2-O 3.48Å
43S93.6Very high91.6Very high97 Ų9797.8 Ų97.868%0.67848%0.482SS*.Hα-helixtrans-66-28177.973.50000113.3E39 W40 L41 G45E39-S43 PolarHBondContact O-N 3.47Å; W40-S43 PolarHBondContact O-OG 3.42Å; L41-S43 VanDerWaalsContact C-N 3.35Å; L41-S43 PolarHBondContact O-N 3.42Å; S43-G45 VanDerWaalsContact C-N 3.27Å
44V92.9Very high91.7Very high114 Ų114101.7 Ų101.769%0.69150%0.496SS*.THydrogen-bonded Turntrans-872.5174.6-174.20000111.7W40 L41 H42W40-V44 WeakPolarHBondContact O-CG2 3.29Å; W40-V44 PolarHBondContact O-N 3.03Å; L41-V44 PolarHBondContact O-N 2.99Å; H42-V44 VanDerWaalsContact C-N 3.25Å; H42-V44 PolarHBondContact O-N 3.36Å
45G92.2Very high91.7Very high53 Ų53101.6 Ų101.655%0.54650%0.495SS..THydrogen-bonded Turntrans85.511.6178.500000114.6L41 H42 S43 T47L41-G45 PolarHBondContact O-N 3.49Å; H42-G45 PolarHBondContact O-N 2.89Å; S43-G45 VanDerWaalsContact C-N 3.27Å; G45-T47 PolarHBondContact O-N 3.06Å
46L89.6Confident91.8Very high71 Ų7197.5 Ų97.537%0.37249%0.486SS..  trans-92.180.4179.5-65.3177.1000110.9L41 H42 W49L41-L46 HydrophobicContact CB-CB 4.28Å; L41-L46 HydrophobicContact CD2-CB 4.22Å; L41-L46 HydrophobicContact CD2-CD1 3.79Å; L41-L46 WeakPolarHBondContact O-CB 3.48Å; L41-L46 PolarHBondContact O-N 3.19Å; H42-L46 PolarHBondContact CD2-O 3.48Å; L46-W49 HydrophobicContact CD1-CZ2 4.08Å
47T88.8Confident91.9Very high76 Ų7695.8 Ų95.847%0.46648%0.476SS..  trans-97.9-15.3-173.752.20000115.3G45G45-T47 PolarHBondContact O-N 3.06Å
48Y85.4Confident92Very high224 Ų22498.3 Ų98.388%0.87848%0.484SS*.  trans-112.550.2-175.5-62.7-79.2000112.9
49W86.1Confident92.2Very high127 Ų12796.4 Ų96.448%0.48148%0.48SS..PPolyproline II helixtrans-93.3155.7175.8-83.562.6000111.8W33 L46W33-W49 HydrophobicContact CB-CZ3 4.1Å; W33-W49 AromaticContact CD1-CE3 3.08Å; W33-W49 AromaticContact CD1-CZ3 3.24Å; W33-W49 AromaticContact CG-CE3 3.96Å; W33-W49 HydrophobicContact CG-CE3 3.96Å; W33-W49 AromaticContact CG-CZ3 3.74Å; W33-W49 HydrophobicContact CG-CZ3 3.74Å; W33-W49 AromaticContact NE1-CE3 3.31Å; W33-W49 VanDerWaalsContact NE1-CE3 3.31Å; W33-W49 AromaticContact NE1-CZ3 3.92Å; L46-W49 HydrophobicContact CD1-CZ2 4.08Å
50P89.3Confident92.5Very high74 Ų7493.1 Ų93.148%0.48147%0.466SS..PPolyproline II helixtrans-56.7146.3171.822.4-31.6000110.6W33W33-P50 HydrophobicContact CZ2-CB 4.35Å; W33-P50 HydrophobicContact CZ2-CG 3.92Å; W33-P50 WeakPolarHBondContact CZ2-O 3.36Å
51Q91.5Very high92.6Very high138 Ų13891.4 Ų91.465%0.64546%0.461SS*.PPolyproline II helixtrans-59.8141.5177.8-66.6177.2-29.600111Y53 W54Q51-Y53 PolarHBondContact O-N 3.36Å; Q51-W54 WeakPolarHBondContact O-CB 3.35Å; Q51-W54 PolarHBondContact O-N 2.87Å
52K92.7Very high92.9Very high48 Ų4895.6 Ų95.621%0.20948%0.482CS..THydrogen-bonded Turntrans-57.8-22178.9-61.9-66.1-172.3-178.30114.2W33 V36 E38 W54 A55W33-K52 HydrophobicContact CZ2-CD 4.29Å; W33-K52 PolarHBondContact O-NZ 3.21Å; V36-K52 WeakPolarHBondContact O-CE 3.28Å; V36-K52 PolarHBondContact O-NZ 2.85Å; E38-K52 HydrophobicContact CG-CG 4.26Å; E38-K52 WeakPolarHBondContact OE1-CG 3.48Å; K52-W54 PolarHBondContact O-N 3.37Å; K52-W54 VanDerWaalsContact O-N 3.12Å; K52-A55 WeakPolarHBondContact O-CB 3.3Å; K52-A55 PolarHBondContact O-N 2.87Å
53Y94.1Very high93.2Very high142 Ų14296.4 Ų96.456%0.55749%0.489SS*.THydrogen-bonded Turntrans-49.8-35.5170.9169.9-101.7000112.7Q51 A55 L56 A57Q51-Y53 PolarHBondContact O-N 3.36Å; Y53-A55 PolarHBondContact O-N 3.07Å; Y53-L56 PolarHBondContact O-N 3.27Å; Y53-A57 HydrophobicContact CD1-CB 4.02Å; Y53-A57 HydrophobicContact CE1-CB 3.49Å; Y53-A57 VanDerWaalsContact CE1-CB 3.49Å; Y53-A57 PolarHBondContact O-N 2.88Å
54W94.5Very high93.4Very high109 Ų10995.6 Ų95.641%0.41348%0.48SS..Hα-helixtrans-64.3-21.7178.2-73.2101.9000113.7W33 Q51 K52 L56 A57 M58 Y61W33-W54 HydrophobicContact CH2-CB 4.16Å; Q51-W54 WeakPolarHBondContact O-CB 3.35Å; Q51-W54 PolarHBondContact O-N 2.87Å; K52-W54 PolarHBondContact O-N 3.37Å; K52-W54 VanDerWaalsContact O-N 3.12Å; W54-L56 PolarHBondContact O-N 3.49Å; W54-A57 HydrophobicContact CE3-CB 4.07Å; W54-A57 PolarHBondContact O-N 2.96Å; W54-M58 HydrophobicContact CE3-CG 4.08Å; W54-M58 HydrophobicContact CE3-SD 4.47Å; W54-M58 VanDerWaalsContact O-CB 3.29Å; W54-M58 WeakPolarHBondContact O-CB 3.42Å; W54-M58 WeakPolarHBondContact O-CG 3.45Å; W54-M58 PolarHBondContact O-N 3.24Å; W54-Y61 HydrophobicContact CZ3-CD2 4.46Å; W54-Y61 HydrophobicContact CZ3-CE2 4.32Å
55A94.9Very high93.7Very high25 Ų2592.9 Ų92.921%0.20747%0.47CS..Hα-helixtrans-66.1-20.3172.600000113Y30 W33 A34 K52 Y53Y30-A55 WeakPolarHBondContact OH-CA 3.31Å; Y30-A55 PolarHBondContact OH-O 3.41Å; W33-A55 HydrophobicContact CH2-CB 4.06Å; W33-A55 HydrophobicContact CZ3-CB 3.67Å; A34-A55 HydrophobicContact CB-CB 3.9Å; K52-A55 WeakPolarHBondContact O-CB 3.3Å; K52-A55 PolarHBondContact O-N 2.87Å; Y53-A55 PolarHBondContact O-N 3.07Å
56L95.6Very high94Very high110 Ų11094.7 Ų94.758%0.57647%0.467SS*.Hα-helixtrans-100-41.9172.5-177.864.4000111.1Y53 W54 P59 I60Y53-L56 PolarHBondContact O-N 3.27Å; W54-L56 PolarHBondContact O-N 3.49Å; L56-P59 WeakPolarHBondContact O-CD 3.4Å; L56-I60 HydrophobicContact CD1-CD1 4.03Å; L56-I60 HydrophobicContact CG-CD1 3.82Å; L56-I60 WeakPolarHBondContact O-CG1 3.24Å; L56-I60 PolarHBondContact O-N 3.39Å
57A96.5Very high94.4Very high2 Ų297.1 Ų97.12%0.01748%0.477CS..Hα-helixtrans-65.3-42.8-175.400000112.6Y53 W54 I60 Y61Y53-A57 HydrophobicContact CD1-CB 4.02Å; Y53-A57 HydrophobicContact CE1-CB 3.49Å; Y53-A57 VanDerWaalsContact CE1-CB 3.49Å; Y53-A57 PolarHBondContact O-N 2.88Å; W54-A57 HydrophobicContact CE3-CB 4.07Å; W54-A57 PolarHBondContact O-N 2.96Å; A57-I60 PolarHBondContact O-N 2.8Å; A57-Y61 HydrophobicContact CB-CD2 4.09Å; A57-Y61 HydrophobicContact CB-CE2 3.98Å; A57-Y61 WeakPolarHBondContact O-CD2 3.46Å; A57-Y61 PolarHBondContact O-N 3.36Å
58M94.7Very high94.8Very high115 Ų11597.5 Ų97.557%0.56748%0.479SS*.Hα-helixtrans-57.1-52.1-178.7-78.2-77.8-83.900112.6W54 I60 Y61 L62W54-M58 HydrophobicContact CE3-CG 4.08Å; W54-M58 HydrophobicContact CE3-SD 4.47Å; W54-M58 VanDerWaalsContact O-CB 3.29Å; W54-M58 WeakPolarHBondContact O-CB 3.42Å; W54-M58 WeakPolarHBondContact O-CG 3.45Å; W54-M58 PolarHBondContact O-N 3.24Å; M58-I60 VanDerWaalsContact C-N 3.32Å; M58-I60 PolarHBondContact O-N 3.48Å; M58-Y61 PolarHBondContact O-N 2.99Å; M58-L62 WeakPolarHBondContact O-CB 3.08Å; M58-L62 PolarHBondContact O-N 2.9Å
59P95.4Very high95.4Very high54 Ų5489.8 Ų89.835%0.35146%0.458SS..Hα-helixtrans-57.2-40.9174.7-26.232000113.9Y30 L56 L62 L63Y30-P59 WeakPolarHBondContact OH-CD 3.47Å; Y30-P59 WeakPolarHBondContact OH-CG 3.46Å; L56-P59 WeakPolarHBondContact O-CD 3.4Å; P59-L62 PolarHBondContact O-N 3.19Å; P59-L63 WeakPolarHBondContact O-CG 3.24Å; P59-L63 PolarHBondContact O-N 2.99Å
60I97.6Very high96Very high87 Ų8787.8 Ų87.845%0.44646%0.456SS..Hα-helixtrans-66.4-47.1-180-65.2171.2000110.5L56 A57 M58 L62 L63 V64L56-I60 HydrophobicContact CD1-CD1 4.03Å; L56-I60 HydrophobicContact CG-CD1 3.82Å; L56-I60 WeakPolarHBondContact O-CG1 3.24Å; L56-I60 PolarHBondContact O-N 3.39Å; A57-I60 PolarHBondContact O-N 2.8Å; M58-I60 VanDerWaalsContact C-N 3.32Å; M58-I60 PolarHBondContact O-N 3.48Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 2.98Å; I60-L63 PolarHBondContact O-N 2.89Å; I60-V64 HydrophobicContact CG2-CG2 4.49Å; I60-V64 WeakPolarHBondContact O-CG2 3.04Å; I60-V64 PolarHBondContact O-N 3.44Å
61Y97.3Very high96.4Very high136 Ų13689 Ų8953%0.53346%0.463SS..Hα-helixtrans-61.9-37.1176.6-78.1-61.1000112.2W54 A57 M58 V64 A65W54-Y61 HydrophobicContact CZ3-CD2 4.46Å; W54-Y61 HydrophobicContact CZ3-CE2 4.32Å; A57-Y61 HydrophobicContact CB-CD2 4.09Å; A57-Y61 HydrophobicContact CB-CE2 3.98Å; A57-Y61 WeakPolarHBondContact O-CD2 3.46Å; A57-Y61 PolarHBondContact O-N 3.36Å; M58-Y61 PolarHBondContact O-N 2.99Å; Y61-V64 PolarHBondContact O-N 3.24Å; Y61-A65 VanDerWaalsContact O-CB 3.28Å; Y61-A65 WeakPolarHBondContact O-CB 3.35Å; Y61-A65 PolarHBondContact O-N 3.28Å
62L96.5Very high96.7Very high109 Ų10986.2 Ų86.257%0.57145%0.454SS*.Hα-helixtrans-60.8-47.1173.9-17966000111.2M58 P59 I60 V64 A65 L66M58-L62 WeakPolarHBondContact O-CB 3.08Å; M58-L62 PolarHBondContact O-N 2.9Å; P59-L62 PolarHBondContact O-N 3.19Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 2.98Å; L62-V64 PolarHBondContact O-N 2.65Å; L62-A65 PolarHBondContact O-N 2.97Å; L62-L66 HydrophobicContact CG-CD1 4.32Å; L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.33Å; L62-L66 PolarHBondContact O-N 3.13Å
63L98.1Very high97Very high113 Ų11388.1 Ų88.159%0.59247%0.466SS*.Hα-helixtrans-61.6-44.1176.9-70.6174.4000111.8P59 I60 A65 L66 M67P59-L63 WeakPolarHBondContact O-CG 3.24Å; P59-L63 PolarHBondContact O-N 2.99Å; I60-L63 PolarHBondContact O-N 2.89Å; L63-A65 PolarHBondContact O-N 3.42Å; L63-L66 PolarHBondContact O-N 3.48Å; L63-M67 WeakPolarHBondContact O-CG 3.4Å; L63-M67 PolarHBondContact O-N 3.45Å
64V98.3Very high97.1Very high80 Ų8088.2 Ų88.249%0.48547%0.47SS..Hα-helixtrans-61.7-44.8176.3173.30000110.8I60 Y61 L62 L66 M67 V68I60-V64 HydrophobicContact CG2-CG2 4.49Å; I60-V64 WeakPolarHBondContact O-CG2 3.04Å; I60-V64 PolarHBondContact O-N 3.44Å; Y61-V64 PolarHBondContact O-N 3.24Å; L62-V64 PolarHBondContact O-N 2.65Å; V64-L66 VanDerWaalsContact C-N 3.34Å; V64-L66 PolarHBondContact O-N 2.86Å; V64-M67 PolarHBondContact O-N 3.39Å; V64-V68 HydrophobicContact CG1-CG2 4.3Å; V64-V68 WeakPolarHBondContact O-CB 3.44Å; V64-V68 VanDerWaalsContact O-CG2 3.29Å; V64-V68 WeakPolarHBondContact O-CG2 3.49Å; V64-V68 PolarHBondContact O-N 2.92Å
65A98.2Very high97.1Very high57 Ų5785 Ų8547%0.47147%0.47SS..Hα-helixtrans-62.4-39.9178.100000112.2Y61 L62 L63 V68 S69Y61-A65 VanDerWaalsContact O-CB 3.28Å; Y61-A65 WeakPolarHBondContact O-CB 3.35Å; Y61-A65 PolarHBondContact O-N 3.28Å; L62-A65 PolarHBondContact O-N 2.97Å; L63-A65 PolarHBondContact O-N 3.42Å; A65-V68 PolarHBondContact O-N 2.97Å; A65-S69 WeakPolarHBondContact O-CB 3.4Å; A65-S69 PolarHBondContact O-N 2.9Å; A65-S69 PolarHBondContact O-OG 2.91Å
66L98.1Very high97.2Very high92 Ų9287.8 Ų87.848%0.48248%0.481SS..Hα-helixtrans-64.8-42.2174.1-71173.7000112L62 L63 V64 S69 L70L62-L66 HydrophobicContact CG-CD1 4.32Å; L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.33Å; L62-L66 PolarHBondContact O-N 3.13Å; L63-L66 PolarHBondContact O-N 3.48Å; V64-L66 VanDerWaalsContact C-N 3.34Å; V64-L66 PolarHBondContact O-N 2.86Å; L66-S69 PolarHBondContact O-N 2.92Å; L66-S69 PolarHBondContact O-OG 3.4Å; L66-L70 WeakPolarHBondContact O-CG 3.16Å; L66-L70 PolarHBondContact O-N 3.04Å
67M98.3Very high97.2Very high122 Ų12286.2 Ų86.260%0.60147%0.473SS*.Hα-helixtrans-64.6-44.4176.5-70.6-58.7-63.200111.6L63 V64 S69 L70 V71L63-M67 WeakPolarHBondContact O-CG 3.4Å; L63-M67 PolarHBondContact O-N 3.45Å; V64-M67 PolarHBondContact O-N 3.39Å; M67-S69 VanDerWaalsContact C-N 3.35Å; M67-L70 PolarHBondContact O-N 2.75Å; M67-V71 WeakPolarHBondContact O-CG2 3.34Å; M67-V71 PolarHBondContact O-N 2.92Å
68V98.4Very high97Very high84 Ų8492.4 Ų92.451%0.50950%0.503SS..Hα-helixtrans-62.6-42.8176.7171.20000110.8V64 A65 L70 V71 V72V64-V68 HydrophobicContact CG1-CG2 4.3Å; V64-V68 WeakPolarHBondContact O-CB 3.44Å; V64-V68 VanDerWaalsContact O-CG2 3.29Å; V64-V68 WeakPolarHBondContact O-CG2 3.49Å; V64-V68 PolarHBondContact O-N 2.92Å; A65-V68 PolarHBondContact O-N 2.97Å; V68-L70 VanDerWaalsContact C-N 3.33Å; V68-L70 PolarHBondContact O-N 3.4Å; V68-V71 PolarHBondContact O-N 3.29Å; V68-V72 HydrophobicContact CG1-CG2 4.26Å; V68-V72 WeakPolarHBondContact O-CB 3.35Å; V68-V72 VanDerWaalsContact O-CG2 3.31Å; V68-V72 WeakPolarHBondContact O-CG2 3.21Å; V68-V72 PolarHBondContact O-N 3.47Å
69S98.2Very high97Very high62 Ų6293.3 Ų93.343%0.43451%0.51SS..Hα-helixtrans-63.5-38.5179.272.50000112.2A65 L66 M67 V72 L73A65-S69 WeakPolarHBondContact O-CB 3.4Å; A65-S69 PolarHBondContact O-N 2.9Å; A65-S69 PolarHBondContact O-OG 2.91Å; L66-S69 PolarHBondContact O-N 2.92Å; L66-S69 PolarHBondContact O-OG 3.4Å; M67-S69 VanDerWaalsContact C-N 3.35Å; S69-V72 PolarHBondContact O-N 3.47Å; S69-L73 VanDerWaalsContact O-CB 3.24Å; S69-L73 WeakPolarHBondContact O-CB 3.33Å; S69-L73 PolarHBondContact O-N 2.87Å
70L97.9Very high97Very high84 Ų8496.5 Ų96.544%0.4452%0.524SS..Hα-helixtrans-63.1-47.7173.3-70.7176.3000111.7L66 M67 V68 V72 L73 F74L66-L70 WeakPolarHBondContact O-CG 3.16Å; L66-L70 PolarHBondContact O-N 3.04Å; M67-L70 PolarHBondContact O-N 2.75Å; V68-L70 VanDerWaalsContact C-N 3.33Å; V68-L70 PolarHBondContact O-N 3.4Å; L70-V72 VanDerWaalsContact C-N 3.32Å; L70-V72 PolarHBondContact O-N 3.2Å; L70-L73 WeakPolarHBondContact O-CB 3.45Å; L70-L73 PolarHBondContact O-N 2.91Å; L70-F74 WeakPolarHBondContact O-CD2 3.32Å; L70-F74 PolarHBondContact O-N 3.42Å
71V98.3Very high96.7Very high101 Ų10196 Ų9661%0.61253%0.526SS*.Hα-helixtrans-59.4-44.9178171.60000111.1M67 V68 F74 G75M67-V71 WeakPolarHBondContact O-CG2 3.34Å; M67-V71 PolarHBondContact O-N 2.92Å; V68-V71 PolarHBondContact O-N 3.29Å; V71-F74 PolarHBondContact O-N 3.39Å; V71-G75 PolarHBondContact O-N 3.41Å
72V98.3Very high96.5Very high78 Ų7891 Ų9147%0.47351%0.513SS..Hα-helixtrans-63.5-43.3176.9170.60000110.9V68 S69 L70 F74 G75 I76V68-V72 HydrophobicContact CG1-CG2 4.26Å; V68-V72 WeakPolarHBondContact O-CB 3.35Å; V68-V72 VanDerWaalsContact O-CG2 3.31Å; V68-V72 WeakPolarHBondContact O-CG2 3.21Å; V68-V72 PolarHBondContact O-N 3.47Å; S69-V72 PolarHBondContact O-N 3.47Å; L70-V72 VanDerWaalsContact C-N 3.32Å; L70-V72 PolarHBondContact O-N 3.2Å; V72-F74 PolarHBondContact O-N 3.17Å; V72-G75 PolarHBondContact O-N 3.3Å; V72-I76 HydrophobicContact CG1-CD1 3.72Å; V72-I76 HydrophobicContact CG1-CG1 4.32Å; V72-I76 WeakPolarHBondContact O-CG1 3.29Å; V72-I76 PolarHBondContact O-N 3.28Å
73L97.6Very high96.3Very high88 Ų8890 Ų9046%0.46151%0.513SS..Hα-helixtrans-59.8-45.1176.6179.864.9000111.4S69 L70 G75 I76 N77S69-L73 VanDerWaalsContact O-CB 3.24Å; S69-L73 WeakPolarHBondContact O-CB 3.33Å; S69-L73 PolarHBondContact O-N 2.87Å; L70-L73 WeakPolarHBondContact O-CB 3.45Å; L70-L73 PolarHBondContact O-N 2.91Å; L73-G75 VanDerWaalsContact C-N 3.35Å; L73-G75 PolarHBondContact O-N 2.89Å; L73-I76 PolarHBondContact O-N 3.05Å; L73-N77 WeakPolarHBondContact O-CB 3.5Å; L73-N77 VanDerWaalsContact O-CG 3.24Å; L73-N77 PolarHBondContact O-N 2.9Å; L73-N77 PolarHBondContact O-ND2 3.45Å
74F96.1Very high95.9Very high145 Ų14592.2 Ų92.264%0.63652%0.524SS*.Hα-helixtrans-60.4-43.9174.2-79.7-66.1000111.9L70 V71 V72 N77 M78L70-F74 WeakPolarHBondContact O-CD2 3.32Å; L70-F74 PolarHBondContact O-N 3.42Å; V71-F74 PolarHBondContact O-N 3.39Å; V72-F74 PolarHBondContact O-N 3.17Å; F74-N77 PolarHBondContact O-N 3.44Å; F74-M78 WeakPolarHBondContact O-CB 3.34Å; F74-M78 PolarHBondContact O-N 2.75Å
75G95.9Very high95.5Very high40 Ų4095.5 Ų95.541%0.41254%0.539SS..Hα-helixtrans-60.7-45.2176.800000112.7V71 V72 L73 M78 N79V71-G75 PolarHBondContact O-N 3.41Å; V72-G75 PolarHBondContact O-N 3.3Å; L73-G75 VanDerWaalsContact C-N 3.35Å; L73-G75 PolarHBondContact O-N 2.89Å; G75-M78 PolarHBondContact O-N 2.85Å; G75-N79 WeakPolarHBondContact O-CB 3.12Å; G75-N79 PolarHBondContact O-N 3.14Å
76I96.9Very high95.1Very high85 Ų8594.1 Ų94.144%0.43653%0.526SS..Hα-helixtrans-64.4-45.7176.8-68169.2000110.8V72 L73 M78 N79 N80V72-I76 HydrophobicContact CG1-CD1 3.72Å; V72-I76 HydrophobicContact CG1-CG1 4.32Å; V72-I76 WeakPolarHBondContact O-CG1 3.29Å; V72-I76 PolarHBondContact O-N 3.28Å; L73-I76 PolarHBondContact O-N 3.05Å; I76-M78 VanDerWaalsContact C-N 3.32Å; I76-M78 PolarHBondContact O-N 3.32Å; I76-N79 PolarHBondContact O-N 2.76Å; I76-N80 WeakPolarHBondContact CG2-ND2 3.37Å; I76-N80 WeakPolarHBondContact O-CB 3.39Å; I76-N80 VanDerWaalsContact O-CG 3.3Å; I76-N80 PolarHBondContact O-N 3.4Å; I76-N80 PolarHBondContact O-ND2 3.25Å
77N95Very high94.6Very high77 Ų7794.2 Ų94.241%0.41253%0.53SS..Hα-helixtrans-59.8-44.5177.9-75.6-24.8000111.1L73 F74 N79 N80 T81L73-N77 WeakPolarHBondContact O-CB 3.5Å; L73-N77 VanDerWaalsContact O-CG 3.24Å; L73-N77 PolarHBondContact O-N 2.9Å; L73-N77 PolarHBondContact O-ND2 3.45Å; F74-N77 PolarHBondContact O-N 3.44Å; N77-N79 VanDerWaalsContact C-N 3.32Å; N77-N79 PolarHBondContact O-N 2.99Å; N77-N80 PolarHBondContact O-N 3.15Å; N77-T81 VanDerWaalsContact O-CB 3.29Å; N77-T81 WeakPolarHBondContact O-CB 3.13Å; N77-T81 PolarHBondContact O-N 3.3Å; N77-T81 PolarHBondContact O-OG1 3.4Å
78M92.4Very high94.3Very high131 Ų13193.4 Ų93.465%0.64553%0.528SS*.Hα-helixtrans-67.4-33.9179.2-164.7153.269.800112.2F74 G75 I76 N80F74-M78 WeakPolarHBondContact O-CB 3.34Å; F74-M78 PolarHBondContact O-N 2.75Å; G75-M78 PolarHBondContact O-N 2.85Å; I76-M78 VanDerWaalsContact C-N 3.32Å; I76-M78 PolarHBondContact O-N 3.32Å; M78-N80 VanDerWaalsContact C-N 3.32Å
79N95.1Very high93.9Very high134 Ų13492.6 Ų92.672%0.71752%0.521SS*.Hα-helixtrans-69.8-28.4174.1-174.367.9000113.2G75 I76 N77G75-N79 WeakPolarHBondContact O-CB 3.12Å; G75-N79 PolarHBondContact O-N 3.14Å; I76-N79 PolarHBondContact O-N 2.76Å; N77-N79 VanDerWaalsContact C-N 3.32Å; N77-N79 PolarHBondContact O-N 2.99Å
80N94.7Very high93.4Very high121 Ų12196.8 Ų96.865%0.64754%0.537SS*.Hα-helixtrans-95.2-5.5-179.1-67.4-19000113.6I76 N77 M78I76-N80 WeakPolarHBondContact CG2-ND2 3.37Å; I76-N80 WeakPolarHBondContact O-CB 3.39Å; I76-N80 VanDerWaalsContact O-CG 3.3Å; I76-N80 PolarHBondContact O-N 3.4Å; I76-N80 PolarHBondContact O-ND2 3.25Å; N77-N80 PolarHBondContact O-N 3.15Å; M78-N80 VanDerWaalsContact C-N 3.32Å
81T92.4Very high93Very high78 Ų7895.6 Ų95.648%0.47953%0.533SS..SBendtrans-102156.2-179.4-55.80000109.5N77 N89N77-T81 VanDerWaalsContact O-CB 3.29Å; N77-T81 WeakPolarHBondContact O-CB 3.13Å; N77-T81 PolarHBondContact O-N 3.3Å; N77-T81 PolarHBondContact O-OG1 3.4Å; T81-N89 WeakPolarHBondContact CG2-OD1 3.43Å
82A92.5Very high92.7Very high31 Ų3195.6 Ų95.626%0.25653%0.53SS..PPolyproline II helixtrans-59.9156.6174.300000111.1D88A82-D88 HydrophobicContact CB-CB 4.01Å
83P92.3Very high92.2Very high88 Ų8898.7 Ų98.757%0.57155%0.549SS*.PPolyproline II helixtrans-48.6145.8171.9-28.336.6000111.7D85 S86 N89P83-D85 WeakPolarHBondContact CB-OD1 3.37Å; P83-D85 PolarHBondContact O-N 3.49Å; P83-S86 WeakPolarHBondContact O-CB 3.49Å; P83-S86 PolarHBondContact O-N 3.12Å; P83-N89 PolarHBondContact O-ND2 3.22Å
84L88.9Confident91.7Very high159 Ų159103 Ų10383%0.83256%0.564SS**THydrogen-bonded Turntrans-59.3-23-172.4-66.7173.8000114.1
85D90.4Very high91.3Very high148 Ų14898.2 Ų98.279%0.79155%0.552SS**THydrogen-bonded Turntrans-91-4.5177.760.3-27.5000113.7P83P83-D85 WeakPolarHBondContact CB-OD1 3.37Å; P83-D85 PolarHBondContact O-N 3.49Å
86S90.5Very high90.4Very high29 Ų29105.4 Ų105.420%0.20358%0.575CS.*  trans-76134.6177.9-172.30000111.8P83 D88 N89P83-S86 WeakPolarHBondContact O-CB 3.49Å; P83-S86 PolarHBondContact O-N 3.12Å; S86-D88 PolarHBondContact O-N 3.48Å; S86-D88 WeakPolarHBondContact OG-CB 3.42Å; S86-D88 PolarHBondContact OG-N 3.27Å; S86-D88 VanDerWaalsContact OG-N 3.14Å; S86-D88 PolarHBondContact OG-OD2 3.17Å; S86-N89 PolarHBondContact O-N 3.05Å; S86-N89 PolarHBondContact O-ND2 3.02Å
87V87.6Confident89.3Confident93 Ų93104.3 Ų104.356%0.56458%0.584SS**G310 helixtrans-61.7-21.4169-64.20000112.3N89 I90 T91V87-N89 PolarHBondContact O-N 3Å; V87-I90 WeakPolarHBondContact O-CG1 3.18Å; V87-I90 PolarHBondContact O-N 2.98Å; V87-T91 HydrophobicContact CB-CG2 4.47Å; V87-T91 PolarHBondContact O-N 3.23Å; V87-T91 PolarHBondContact O-OG1 2.95Å
88D90.2Very high88Confident106 Ų106105.4 Ų105.457%0.56759%0.586SS**G310 helixtrans-60.6-19177.7-57.5-37.3000112.8A82 S86 I90A82-D88 HydrophobicContact CB-CB 4.01Å; S86-D88 PolarHBondContact O-N 3.48Å; S86-D88 WeakPolarHBondContact OG-CB 3.42Å; S86-D88 PolarHBondContact OG-N 3.27Å; S86-D88 VanDerWaalsContact OG-N 3.14Å; S86-D88 PolarHBondContact OG-OD2 3.17Å; D88-I90 PolarHBondContact O-N 3.15Å
89N90.6Very high86.7Confident66 Ų66109 Ų10935%0.35359%0.593SS.*G310 helixtrans-70.4-18.3173.5-67.1-66.1000113.6T81 P83 S86 V87T81-N89 WeakPolarHBondContact CG2-OD1 3.43Å; P83-N89 PolarHBondContact O-ND2 3.22Å; S86-N89 PolarHBondContact O-N 3.05Å; S86-N89 PolarHBondContact O-ND2 3.02Å; V87-N89 PolarHBondContact O-N 3Å
90I89Confident85.1Confident150 Ų150108.1 Ų108.177%0.76960%0.598SS**THydrogen-bonded Turntrans-126-7.6-177.361.8168.1000113.3V87 D88V87-I90 WeakPolarHBondContact O-CG1 3.18Å; V87-I90 PolarHBondContact O-N 2.98Å; D88-I90 PolarHBondContact O-N 3.15Å
91T88.9Confident83.5Confident59 Ų59107.5 Ų107.536%0.36259%0.594SS.*  trans-113.8145.5178.260.40000111.6V87 A95V87-T91 HydrophobicContact CB-CG2 4.47Å; V87-T91 PolarHBondContact O-N 3.23Å; V87-T91 PolarHBondContact O-OG1 2.95Å; T91-A95 HydrophobicContact CG2-CB 4.12Å
92D90.8Very high81.8Confident101 Ų101109.9 Ų109.954%0.5461%0.613SS.*  trans-120.1-171.6173.675.7-8000111.7F94 A95D92-F94 PolarHBondContact O-N 2.98Å; D92-F94 WeakPolarHBondContact OD1-CA 3.45Å; D92-F94 WeakPolarHBondContact OD1-CB 3.48Å; D92-F94 PolarHBondContact OD1-N 2.98Å; D92-F94 WeakPolarHBondContact OD2-CD2 3.32Å; D92-A95 VanDerWaalsContact O-CB 3.29Å; D92-A95 WeakPolarHBondContact O-CB 3.29Å; D92-A95 PolarHBondContact O-N 3.16Å; D92-A95 VanDerWaalsContact O-N 3.15Å; D92-A95 PolarHBondContact OD1-N 3.01Å
93V89Confident80.4Confident144 Ų144116.3 Ų116.387%0.87363%0.631SS**THydrogen-bonded Turntrans-66-20179.5-174.30000112.5
94F87.1Confident79.1Confident177 Ų177122.6 Ų122.678%0.77664%0.644SS**THydrogen-bonded Turntrans-94.5-13.3178-57.8-73000112.5D92 Q96D92-F94 PolarHBondContact O-N 2.98Å; D92-F94 WeakPolarHBondContact OD1-CA 3.45Å; D92-F94 WeakPolarHBondContact OD1-CB 3.48Å; D92-F94 PolarHBondContact OD1-N 2.98Å; D92-F94 WeakPolarHBondContact OD2-CD2 3.32Å; F94-Q96 PolarHBondContact O-N 2.91Å; F94-Q96 VanDerWaalsContact O-N 3.16Å
95A86.2Confident78.1Confident46 Ų46124.5 Ų124.538%0.3865%0.645SS.*  trans-61.2117.1176.500000109.8T91 D92 G97T91-A95 HydrophobicContact CG2-CB 4.12Å; D92-A95 VanDerWaalsContact O-CB 3.29Å; D92-A95 WeakPolarHBondContact O-CB 3.29Å; D92-A95 PolarHBondContact O-N 3.16Å; D92-A95 VanDerWaalsContact O-N 3.15Å; D92-A95 PolarHBondContact OD1-N 3.01Å; A95-G97 PolarHBondContact O-N 3.03Å
96Q78.6Confident77.3Confident191 Ų191121.3 Ų121.389%0.89365%0.647SS**  trans-91.199.9172.6-63.5-173.213.100107.8F94F94-Q96 PolarHBondContact O-N 2.91Å; F94-Q96 VanDerWaalsContact O-N 3.16Å
97G72.9Confident76.6Confident61 Ų61121.6 Ų121.663%0.62966%0.655SS**  trans-58.9151.417000000110.8A95 R99A95-G97 PolarHBondContact O-N 3.03Å; G97-R99 VanDerWaalsContact C-N 3.31Å; G97-R99 PolarHBondContact O-N 3.47Å
98Q68Low76.1Confident100 Ų100125.1 Ų125.147%0.46767%0.669SS.*  trans-63.196.6167.1-68.7173.5-92.500108.2S100 D113Q98-S100 PolarHBondContact O-N 2.86Å; Q98-D113 PolarHBondContact NE2-O 3.49Å; Q98-D113 PolarHBondContact OE1-O 3.04Å
99R65.8Low75.3Confident206 Ų206124.2 Ų124.278%0.77767%0.668SS**  trans-66.2119.3171.6-72.9-174.7174.4-177.1-0.8107.3G97 D101G97-R99 VanDerWaalsContact C-N 3.31Å; G97-R99 PolarHBondContact O-N 3.47Å; R99-D101 PolarHBondContact O-N 3.22Å
100S61Low74.4Confident117 Ų117131 Ų13182%0.81869%0.689SS**  trans-67.566.3165.2-45.40000109.1Q98Q98-S100 PolarHBondContact O-N 2.86Å
101D60.1Low73.9Confident108 Ų108132.4 Ų132.458%0.57870%0.697SS**  trans-63.1139170.6-78.9-29000108.3R99 Y103R99-D101 PolarHBondContact O-N 3.22Å; D101-Y103 PolarHBondContact O-N 3.22Å; D101-Y103 VanDerWaalsContact O-N 3.09Å
102C57.4Low73.4Confident128 Ų128134.5 Ų134.587%0.86570%0.703SS**  trans-45.5119.8177.8-93.50000110.9R104C102-R104 PolarHBondContact O-N 2.9Å
103Y63.6Low73Confident166 Ų166136 Ų13665%0.65171%0.711SS**  trans-46.9108.2171.2-179.6-96.1000109.5D101 K105D101-Y103 PolarHBondContact O-N 3.22Å; D101-Y103 VanDerWaalsContact O-N 3.09Å; Y103-K105 PolarHBondContact O-N 3.41Å
104R63.9Low72.6Confident219 Ų219133 Ų13383%0.82669%0.693SS**  trans-7598.7178.4-160.5167.3-170156.31.3106.9C102 G106 G107C102-R104 PolarHBondContact O-N 2.9Å; R104-G106 PolarHBondContact O-N 3.45Å; R104-G107 PolarHBondContact O-N 2.83Å
105K67.8Low72.4Confident200 Ų200127.2 Ų127.287%0.8768%0.675SS**THydrogen-bonded Turntrans-51.2112.1-177-167174.7-1761780110.1Y103Y103-K105 PolarHBondContact O-N 3.41Å
106G73.6Confident72.5Confident81 Ų81130.6 Ų130.684%0.83569%0.685SS**THydrogen-bonded Turntrans100-0.8-178.800000116.2R104R104-G106 PolarHBondContact O-N 3.45Å
107G77.6Confident72.9Confident35 Ų35125.6 Ų125.636%0.36167%0.671SS.*SBendtrans-93.5158.9170.800000112.9R104R104-G107 PolarHBondContact O-N 2.83Å
108I76.2Confident73.6Confident167 Ų167128.1 Ų128.186%0.85667%0.666SS**PPolyproline II helixtrans-68.6127.2168.8-59.7169.7000107.5
109P72.8Confident74.6Confident86 Ų86125.5 Ų125.556%0.55866%0.657SS**PPolyproline II helixtrans-62.4148.3178.426.3-33.2000110.5
110R72.8Confident75.9Confident208 Ų208118.9 Ų118.979%0.78564%0.637SS**PPolyproline II helixtrans-65.9150.9173-77-175.1160.4-154.5-5.2109.6E112R110-E112 PolarHBondContact O-N 3.48Å
111L77.5Confident77.2Confident180 Ų180120.4 Ų120.494%0.94263%0.629SS**PPolyproline II helixtrans-67.3120.9169.5-175.566.2000107.9
112E79.7Confident78.5Confident103 Ų103121.8 Ų121.848%0.48163%0.634SS.*  trans-144.7145.1-175.686.2-179.4145.300108.4R110 V114R110-E112 PolarHBondContact O-N 3.48Å; E112-V114 PolarHBondContact O-N 3.28Å
113D80.7Confident80Confident134 Ų134122.6 Ų122.672%0.71762%0.623SS**PPolyproline II helixtrans-70.2120.9173.3-64.9-28.4000109.6Q98Q98-D113 PolarHBondContact NE2-O 3.49Å; Q98-D113 PolarHBondContact OE1-O 3.04Å
114V81.3Confident81Confident80 Ų80123.1 Ų123.149%0.48563%0.625SS.*PPolyproline II helixtrans-89.7136.7176.1-1790000108.3E112 I116 E118 V119E112-V114 PolarHBondContact O-N 3.28Å; V114-I116 PolarHBondContact O-N 2.89Å; V114-E118 HydrophobicContact CG1-CB 3.64Å; V114-V119 HydrophobicContact CB-CG2 3.98Å; V114-V119 HydrophobicContact CG1-CG2 3.77Å
115S84.1Confident82.1Confident56 Ų56118.8 Ų118.839%0.39262%0.618SS.*PPolyproline II helixtrans-58.2138.217869.80000110.4S117 E118 V119S115-S117 PolarHBondContact O-N 3.06Å; S115-E118 WeakPolarHBondContact O-CB 3.31Å; S115-E118 PolarHBondContact O-N 3.4Å; S115-E118 WeakPolarHBondContact OG-CB 3.23Å; S115-E118 VanDerWaalsContact OG-CG 3.28Å; S115-E118 WeakPolarHBondContact OG-CG 3.42Å; S115-E118 PolarHBondContact OG-N 3.19Å; S115-E118 PolarHBondContact OG-OE2 2.92Å; S115-V119 PolarHBondContact O-N 2.84Å
116I86.4Confident82.3Confident117 Ų117112.2 Ų112.260%0.660%0.597SS**Hα-helixtrans-57.6-28.9180-168.661.2000111.9V114 V119 N120V114-I116 PolarHBondContact O-N 2.89Å; I116-V119 HydrophobicContact CD1-CB 4.48Å; I116-V119 PolarHBondContact O-N 3.43Å; I116-N120 VanDerWaalsContact O-CB 3.23Å; I116-N120 WeakPolarHBondContact O-CB 3.5Å; I116-N120 PolarHBondContact O-N 3.16Å; I116-N120 PolarHBondContact O-ND2 2.9Å
117S88.9Confident81.9Confident85 Ų85113.1 Ų113.159%0.59459%0.59SS**Hα-helixtrans-63.6-42.9173.6-59.30000112.5S115 K121S115-S117 PolarHBondContact O-N 3.06Å; S117-K121 VanDerWaalsContact O-CB 3.32Å; S117-K121 WeakPolarHBondContact O-CB 3.49Å; S117-K121 PolarHBondContact O-N 3.04Å
118E86.7Confident81.1Confident115 Ų115120.8 Ų120.854%0.53762%0.617SS.*Hα-helixtrans-68.6-42.9175.2-79.1169.5143.200111.9V114 S115 N120 K121 M122V114-E118 HydrophobicContact CG1-CB 3.64Å; S115-E118 WeakPolarHBondContact O-CB 3.31Å; S115-E118 PolarHBondContact O-N 3.4Å; S115-E118 WeakPolarHBondContact OG-CB 3.23Å; S115-E118 VanDerWaalsContact OG-CG 3.28Å; S115-E118 WeakPolarHBondContact OG-CG 3.42Å; S115-E118 PolarHBondContact OG-N 3.19Å; S115-E118 PolarHBondContact OG-OE2 2.92Å; E118-N120 VanDerWaalsContact C-N 3.32Å; E118-N120 PolarHBondContact O-N 2.77Å; E118-K121 PolarHBondContact O-N 3.28Å; E118-M122 VanDerWaalsContact O-CB 3.31Å; E118-M122 WeakPolarHBondContact O-CB 3.28Å; E118-M122 PolarHBondContact O-N 2.99Å
119V89.1Confident79.6Confident45 Ų45122.4 Ų122.427%0.27363%0.634SS.*Hα-helixtrans-57.9-48173.8178.40000109.8V114 S115 I116 K121 M122 F123V114-V119 HydrophobicContact CB-CG2 3.98Å; V114-V119 HydrophobicContact CG1-CG2 3.77Å; S115-V119 PolarHBondContact O-N 2.84Å; I116-V119 HydrophobicContact CD1-CB 4.48Å; I116-V119 PolarHBondContact O-N 3.43Å; V119-K121 VanDerWaalsContact C-N 3.33Å; V119-K121 PolarHBondContact O-N 2.67Å; V119-M122 PolarHBondContact O-N 2.99Å; V119-F123 HydrophobicContact CG1-CD2 3.74Å; V119-F123 HydrophobicContact CG1-CE2 4.16Å; V119-F123 WeakPolarHBondContact O-CD2 3.49Å; V119-F123 PolarHBondContact O-N 2.78Å
120N91.9Very high79.9Confident66 Ų66124.2 Ų124.235%0.35364%0.638SS.*Hα-helixtrans-61.4-42.3177.9-76.8-11.6000112.1I116 E118 M122 Y124 L125I116-N120 VanDerWaalsContact O-CB 3.23Å; I116-N120 WeakPolarHBondContact O-CB 3.5Å; I116-N120 PolarHBondContact O-N 3.16Å; I116-N120 PolarHBondContact O-ND2 2.9Å; E118-N120 VanDerWaalsContact C-N 3.32Å; E118-N120 PolarHBondContact O-N 2.77Å; N120-M122 VanDerWaalsContact C-N 3.33Å; N120-M122 PolarHBondContact O-N 3.4Å; N120-Y124 WeakPolarHBondContact O-CA 3.37Å; N120-Y124 WeakPolarHBondContact O-CB 3.32Å; N120-Y124 PolarHBondContact O-N 3.31Å; N120-L125 PolarHBondContact O-N 3.09Å
121K90.3Very high80.3Confident149 Ų149119.8 Ų119.865%0.64863%0.63SS**Iπ-helixtrans-63.3-39.7176.6-172179.3177.5-176.30112.4S117 E118 V119 S126S117-K121 VanDerWaalsContact O-CB 3.32Å; S117-K121 WeakPolarHBondContact O-CB 3.49Å; S117-K121 PolarHBondContact O-N 3.04Å; E118-K121 PolarHBondContact O-N 3.28Å; V119-K121 VanDerWaalsContact C-N 3.33Å; V119-K121 PolarHBondContact O-N 2.67Å; K121-S126 WeakPolarHBondContact O-CB 3.32Å; K121-S126 PolarHBondContact O-N 2.76Å; K121-S126 PolarHBondContact O-OG 2.97Å
122M87.2Confident80.4Confident138 Ų138116.4 Ų116.468%0.6861%0.613SS**Iπ-helixtrans-80.7-32.3-173.3-166.4172.5-155.600113.8E118 V119 N120 S126E118-M122 VanDerWaalsContact O-CB 3.31Å; E118-M122 WeakPolarHBondContact O-CB 3.28Å; E118-M122 PolarHBondContact O-N 2.99Å; V119-M122 PolarHBondContact O-N 2.99Å; N120-M122 VanDerWaalsContact C-N 3.33Å; N120-M122 PolarHBondContact O-N 3.4Å; M122-S126 PolarHBondContact O-OG 2.9Å
123F87.1Confident80.5Confident144 Ų144117.2 Ų117.263%0.63262%0.621SS**Iπ-helixtrans-106.5-24.8-174.9-69.2-72.8000114.4V119V119-F123 HydrophobicContact CG1-CD2 3.74Å; V119-F123 HydrophobicContact CG1-CE2 4.16Å; V119-F123 WeakPolarHBondContact O-CD2 3.49Å; V119-F123 PolarHBondContact O-N 2.78Å
124Y86.5Confident80.5Confident177 Ų177116.2 Ų116.269%0.69462%0.615SS**Iπ-helixtrans-124.6-27.3-170.1-57.2-86.8000114.2N120N120-Y124 WeakPolarHBondContact O-CA 3.37Å; N120-Y124 WeakPolarHBondContact O-CB 3.32Å; N120-Y124 PolarHBondContact O-N 3.31Å
125L85.8Confident80.4Confident129 Ų129118.6 Ų118.668%0.67562%0.624SS**Iπ-helixtrans-108.6-12.8-178.7-54.6170.5000113.8N120 S127N120-L125 PolarHBondContact O-N 3.09Å; L125-S127 VanDerWaalsContact C-N 3.34Å; L125-S127 PolarHBondContact O-N 3.28Å
126S71.9Confident80.1Confident62 Ų62123.1 Ų123.143%0.43464%0.64SS.*  trans-70.893.4168.646.60000107.9K121 M122 E128K121-S126 WeakPolarHBondContact O-CB 3.32Å; K121-S126 PolarHBondContact O-N 2.76Å; K121-S126 PolarHBondContact O-OG 2.97Å; M122-S126 PolarHBondContact O-OG 2.9Å; S126-E128 PolarHBondContact O-N 3.01Å
127S64.8Low79.7Confident100 Ų100123.5 Ų123.570%0.69964%0.643SS**  trans-67.9100.8163.844.10000107.8L125 T129L125-S127 VanDerWaalsContact C-N 3.34Å; L125-S127 PolarHBondContact O-N 3.28Å; S127-T129 VanDerWaalsContact C-N 3.31Å; S127-T129 PolarHBondContact O-N 2.88Å
128E61.7Low78.9Confident196 Ų196126.8 Ų126.892%0.91665%0.647SS**  trans-62.498.1159.6-76.5-161.9153.100108.4S126S126-E128 PolarHBondContact O-N 3.01Å
129T43.8Very low78.2Confident200 Ų200127.8 Ų127.8100%1.22766%0.657SS**  trans-129.40146.851.40000107.9S127S127-T129 VanDerWaalsContact C-N 3.31Å; S127-T129 PolarHBondContact O-N 2.88Å

Retrieved 129 of 129 residues in 175.9 ms (Link to these results)