A0A077ZMS4_TRITR Loading...

DDE Tnp IS66 and DDE Tnp IS66 C domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMS4, Species TRITR (Trichuris trichiura, Whipworm), 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
1M87.1Confident95.8Very high201 Ų20186.3 Ų86.399%0.9942%0.424SS*.  0-52.80-166.9176.2-74.700111.8Q3 S4 L5M1-Q3 PolarHBondContact O-N 3.16Å; M1-S4 WeakPolarHBondContact CA-OG 3.4Å; M1-S4 PolarHBondContact O-N 3.42Å; M1-S4 PolarHBondContact O-OG 2.75Å; M1-L5 PolarHBondContact O-N 2.98Å; M1-L5 VanDerWaalsContact O-N 3.16Å
2M93.6Very high95.9Very high43 Ų4384.9 Ų84.921%0.21242%0.415CS..Hα-helixtrans-61.8-40.6177.7-66.5-57.1-72.100113.3S4 L5 Y6 W33 L36 N37 F39M2-S4 PolarHBondContact O-N 3.37Å; M2-L5 WeakPolarHBondContact O-CB 3.3Å; M2-L5 PolarHBondContact O-N 3.41Å; M2-L5 VanDerWaalsContact O-N 3.15Å; M2-Y6 PolarHBondContact O-N 2.88Å; M2-W33 HydrophobicContact CB-CZ2 4.24Å; M2-W33 HydrophobicContact CE-CH2 4.03Å; M2-W33 HydrophobicContact CE-CZ2 4.28Å; M2-W33 WeakPolarHBondContact O-CH2 3.35Å; M2-W33 VanDerWaalsContact O-CZ2 3.24Å; M2-W33 WeakPolarHBondContact O-CZ2 3.45Å; M2-L36 HydrophobicContact CE-CD2 4.34Å; M2-L36 HydrophobicContact CE-CG 4.35Å; M2-N37 WeakPolarHBondContact CB-OD1 3.5Å; M2-N37 VanDerWaalsContact CE-OD1 3.26Å; M2-N37 WeakPolarHBondContact CE-OD1 3.39Å; M2-N37 WeakPolarHBondContact CG-OD1 3.36Å; M2-F39 HydrophobicContact SD-CZ 4.47Å
3Q95Very high95.9Very high111 Ų11181.7 Ų81.752%0.51940%0.396SS..Hα-helixtrans-60.4-44.2176-169.860.147.700113M1 L5 Y6 D7M1-Q3 PolarHBondContact O-N 3.16Å; Q3-L5 VanDerWaalsContact C-N 3.26Å; Q3-L5 PolarHBondContact O-N 3.33Å; Q3-Y6 VanDerWaalsContact O-CB 3.27Å; Q3-Y6 WeakPolarHBondContact O-CB 3.15Å; Q3-Y6 PolarHBondContact O-N 3.45Å; Q3-Y6 VanDerWaalsContact O-N 3.13Å; Q3-D7 PolarHBondContact NE2-OD1 3.13Å; Q3-D7 PolarHBondContact O-N 3.45Å
4S97Very high95.9Very high74 Ų7487.9 Ų87.952%0.51742%0.42SS..Hα-helixtrans-63.6-33.117746.10000112.5M1 M2 W8M1-S4 WeakPolarHBondContact CA-OG 3.4Å; M1-S4 PolarHBondContact O-N 3.42Å; M1-S4 PolarHBondContact O-OG 2.75Å; M2-S4 PolarHBondContact O-N 3.37Å; S4-W8 VanDerWaalsContact O-CB 3.3Å; S4-W8 WeakPolarHBondContact O-CB 3.31Å; S4-W8 PolarHBondContact O-N 2.81Å; S4-W8 VanDerWaalsContact O-N 3.11Å
5L96.4Very high95.9Very high73 Ų7388.9 Ų88.938%0.38243%0.434SS..Hα-helixtrans-68.1-43.7172.6177.263.5000111.1M1 M2 Q3 D7 W8 I9 W33M1-L5 PolarHBondContact O-N 2.98Å; M1-L5 VanDerWaalsContact O-N 3.16Å; M2-L5 WeakPolarHBondContact O-CB 3.3Å; M2-L5 PolarHBondContact O-N 3.41Å; M2-L5 VanDerWaalsContact O-N 3.15Å; Q3-L5 VanDerWaalsContact C-N 3.26Å; Q3-L5 PolarHBondContact O-N 3.33Å; L5-D7 PolarHBondContact O-N 3.03Å; L5-W8 HydrophobicContact CD1-CE3 4.26Å; L5-W8 PolarHBondContact O-N 3.21Å; L5-I9 HydrophobicContact CD1-CD1 3.93Å; L5-I9 HydrophobicContact CD1-CG1 4.05Å; L5-I9 HydrophobicContact CD2-CD1 4.49Å; L5-I9 HydrophobicContact CG-CD1 3.87Å; L5-I9 HydrophobicContact CG-CG1 4.36Å; L5-I9 VanDerWaalsContact O-CG1 3.31Å; L5-I9 WeakPolarHBondContact O-CG1 3.34Å; L5-I9 PolarHBondContact O-N 3.43Å; L5-W33 HydrophobicContact CB-CH2 4.38Å; L5-W33 HydrophobicContact CD2-CH2 4.41Å; L5-W33 HydrophobicContact CG-CH2 4.32Å
6Y97.2Very high95.9Very high60 Ų6086.7 Ų86.724%0.23543%0.425CS..Hα-helixtrans-54.1-54175.8-171.7-108.9000111.6M2 Q3 W8 I9 Q10 L30 W33M2-Y6 PolarHBondContact O-N 2.88Å; Q3-Y6 VanDerWaalsContact O-CB 3.27Å; Q3-Y6 WeakPolarHBondContact O-CB 3.15Å; Q3-Y6 PolarHBondContact O-N 3.45Å; Q3-Y6 VanDerWaalsContact O-N 3.13Å; Y6-W8 VanDerWaalsContact C-N 3.28Å; Y6-W8 PolarHBondContact O-N 3.1Å; Y6-I9 PolarHBondContact O-N 3.34Å; Y6-Q10 HydrophobicContact CD1-CG 4.3Å; Y6-Q10 HydrophobicContact CE1-CG 4.08Å; Y6-Q10 VanDerWaalsContact CE1-NE2 3.27Å; Y6-Q10 VanDerWaalsContact CZ-NE2 3.29Å; Y6-Q10 WeakPolarHBondContact O-CG 3.39Å; Y6-Q10 PolarHBondContact O-N 3.17Å; Y6-Q10 PolarHBondContact OH-NE2 3.12Å; Y6-Q10 VanDerWaalsContact OH-NE2 3.09Å; Y6-L30 HydrophobicContact CD2-CD2 3.68Å; Y6-L30 HydrophobicContact CE2-CD2 3.39Å; Y6-W33 AromaticContact CD2-CD1 3.89Å; Y6-W33 AromaticContact CD2-CD2 3.28Å; Y6-W33 HydrophobicContact CD2-CD2 3.28Å; Y6-W33 AromaticContact CD2-CE2 3.27Å; Y6-W33 AromaticContact CD2-CE3 3.66Å; Y6-W33 HydrophobicContact CD2-CE3 3.66Å; Y6-W33 AromaticContact CD2-CG 3.72Å; Y6-W33 HydrophobicContact CD2-CG 3.72Å; Y6-W33 HydrophobicContact CD2-CH2 4.05Å; Y6-W33 AromaticContact CD2-CZ2 3.74Å; Y6-W33 HydrophobicContact CD2-CZ2 3.74Å; Y6-W33 HydrophobicContact CD2-CZ3 4Å; Y6-W33 AromaticContact CD2-NE1 3.6Å; Y6-W33 HydrophobicContact CE2-CB 4.31Å; Y6-W33 AromaticContact CE2-CD1 3.9Å; Y6-W33 AromaticContact CE2-CD2 3.8Å; Y6-W33 HydrophobicContact CE2-CD2 3.8Å; Y6-W33 HydrophobicContact CE2-CE3 4.32Å; Y6-W33 AromaticContact CE2-CG 3.73Å; Y6-W33 HydrophobicContact CE2-CG 3.73Å; Y6-W33 HydrophobicContact CG-CD2 4.28Å; Y6-W33 AromaticContact CG-CE2 3.83Å; Y6-W33 HydrophobicContact CG-CH2 4.35Å; Y6-W33 AromaticContact CG-CZ2 3.95Å; Y6-W33 HydrophobicContact CG-CZ2 3.95Å
7D97.5Very high95.9Very high71 Ų7186.2 Ų86.238%0.3843%0.432SS..Hα-helixtrans-61.9-41.6-176.8-59.6-21.1000110.2Q3 L5 Q10 L11Q3-D7 PolarHBondContact NE2-OD1 3.13Å; Q3-D7 PolarHBondContact O-N 3.45Å; L5-D7 PolarHBondContact O-N 3.03Å; D7-Q10 PolarHBondContact O-N 2.92Å; D7-L11 WeakPolarHBondContact O-CG 3.12Å; D7-L11 PolarHBondContact O-N 2.79Å
8W97.9Very high95.6Very high131 Ų13190.3 Ų90.350%0.49645%0.446SS..Hα-helixtrans-62.4-47.4175.7-17987.9000112.2S4 L5 Y6 Q10 L11 Q12 F26S4-W8 VanDerWaalsContact O-CB 3.3Å; S4-W8 WeakPolarHBondContact O-CB 3.31Å; S4-W8 PolarHBondContact O-N 2.81Å; S4-W8 VanDerWaalsContact O-N 3.11Å; L5-W8 HydrophobicContact CD1-CE3 4.26Å; L5-W8 PolarHBondContact O-N 3.21Å; Y6-W8 VanDerWaalsContact C-N 3.28Å; Y6-W8 PolarHBondContact O-N 3.1Å; W8-Q10 VanDerWaalsContact C-N 3.33Å; W8-Q10 PolarHBondContact O-N 3.12Å; W8-L11 PolarHBondContact O-N 2.83Å; W8-Q12 HydrophobicContact CD2-CG 3.84Å; W8-Q12 VanDerWaalsContact CE2-CG 3.49Å; W8-Q12 HydrophobicContact CE3-CG 4.2Å; W8-Q12 HydrophobicContact CG-CG 4.43Å; W8-Q12 HydrophobicContact CH2-CG 3.97Å; W8-Q12 HydrophobicContact CZ2-CG 3.59Å; W8-Q12 HydrophobicContact CZ3-CG 4.26Å; W8-Q12 WeakPolarHBondContact O-CG 3.49Å; W8-Q12 PolarHBondContact O-N 2.82Å; W8-F26 HydrophobicContact CH2-CZ 4.05Å; W8-F26 AromaticContact CZ3-CE1 3.98Å; W8-F26 HydrophobicContact CZ3-CE1 3.98Å; W8-F26 AromaticContact CZ3-CZ 3.8Å; W8-F26 HydrophobicContact CZ3-CZ 3.8Å
9I97.3Very high95.5Very high4 Ų493.4 Ų93.42%0.02146%0.459CS..Hα-helixtrans-59.7-44.9177.9-71174.2000110.3L5 Y6 L11 Q12 R13 F26 I29 L30 W33L5-I9 HydrophobicContact CD1-CD1 3.93Å; L5-I9 HydrophobicContact CD1-CG1 4.05Å; L5-I9 HydrophobicContact CD2-CD1 4.49Å; L5-I9 HydrophobicContact CG-CD1 3.87Å; L5-I9 HydrophobicContact CG-CG1 4.36Å; L5-I9 VanDerWaalsContact O-CG1 3.31Å; L5-I9 WeakPolarHBondContact O-CG1 3.34Å; L5-I9 PolarHBondContact O-N 3.43Å; Y6-I9 PolarHBondContact O-N 3.34Å; I9-L11 VanDerWaalsContact C-N 3.31Å; I9-L11 PolarHBondContact O-N 3.28Å; I9-Q12 PolarHBondContact O-N 2.87Å; I9-R13 WeakPolarHBondContact O-CB 3.47Å; I9-R13 PolarHBondContact O-N 3.5Å; I9-F26 HydrophobicContact CG1-CD1 4.22Å; I9-F26 HydrophobicContact CG1-CE1 4.16Å; I9-F26 HydrophobicContact CG2-CB 3.8Å; I9-F26 HydrophobicContact CG2-CD1 3.75Å; I9-F26 HydrophobicContact CG2-CD2 4.41Å; I9-F26 HydrophobicContact CG2-CE1 4.39Å; I9-F26 HydrophobicContact CG2-CG 3.76Å; I9-I29 HydrophobicContact CD1-CD1 4.46Å; I9-I29 HydrophobicContact CD1-CG2 3.89Å; I9-L30 HydrophobicContact CG2-CD1 4.05Å; I9-L30 HydrophobicContact CG2-CD2 3.98Å; I9-L30 HydrophobicContact CG2-CG 3.9Å; I9-W33 HydrophobicContact CD1-CZ3 4.3Å
10Q97.1Very high95.5Very high73 Ų7390.3 Ų90.334%0.34145%0.45SS..Hα-helixtrans-61.7-38.6178.9-72.6-166.1-37.600112.7Y6 D7 W8 K14 L30Y6-Q10 HydrophobicContact CD1-CG 4.3Å; Y6-Q10 HydrophobicContact CE1-CG 4.08Å; Y6-Q10 VanDerWaalsContact CE1-NE2 3.27Å; Y6-Q10 VanDerWaalsContact CZ-NE2 3.29Å; Y6-Q10 WeakPolarHBondContact O-CG 3.39Å; Y6-Q10 PolarHBondContact O-N 3.17Å; Y6-Q10 PolarHBondContact OH-NE2 3.12Å; Y6-Q10 VanDerWaalsContact OH-NE2 3.09Å; D7-Q10 PolarHBondContact O-N 2.92Å; W8-Q10 VanDerWaalsContact C-N 3.33Å; W8-Q10 PolarHBondContact O-N 3.12Å; Q10-K14 WeakPolarHBondContact O-CG 3.3Å; Q10-L30 HydrophobicContact CG-CD1 4.49Å; Q10-L30 HydrophobicContact CG-CD2 4.01Å
11L97.7Very high95.6Very high108 Ų10892.3 Ų92.357%0.56546%0.457SS*.Hα-helixtrans-68.3-48.2175.9-71.4171.8000111.5D7 W8 I9 R13 K14D7-L11 WeakPolarHBondContact O-CG 3.12Å; D7-L11 PolarHBondContact O-N 2.79Å; W8-L11 PolarHBondContact O-N 2.83Å; I9-L11 VanDerWaalsContact C-N 3.31Å; I9-L11 PolarHBondContact O-N 3.28Å; L11-R13 VanDerWaalsContact C-N 3.31Å; L11-R13 PolarHBondContact O-N 3.2Å; L11-K14 PolarHBondContact O-N 3.41Å
12Q97.4Very high96Very high70 Ų7087.2 Ų87.233%0.32743%0.433SS..Hα-helixtrans-64.3-36.7178.5-64.8-52-41.500112.1W8 I9 K14 T15 F26W8-Q12 HydrophobicContact CD2-CG 3.84Å; W8-Q12 VanDerWaalsContact CE2-CG 3.49Å; W8-Q12 HydrophobicContact CE3-CG 4.2Å; W8-Q12 HydrophobicContact CG-CG 4.43Å; W8-Q12 HydrophobicContact CH2-CG 3.97Å; W8-Q12 HydrophobicContact CZ2-CG 3.59Å; W8-Q12 HydrophobicContact CZ3-CG 4.26Å; W8-Q12 WeakPolarHBondContact O-CG 3.49Å; W8-Q12 PolarHBondContact O-N 2.82Å; I9-Q12 PolarHBondContact O-N 2.87Å; Q12-K14 PolarHBondContact O-N 3.42Å; Q12-T15 PolarHBondContact O-N 2.96Å; Q12-T15 PolarHBondContact O-OG1 2.72Å; Q12-F26 HydrophobicContact CB-CD2 4.45Å; Q12-F26 HydrophobicContact CB-CE2 3.58Å; Q12-F26 HydrophobicContact CB-CZ 4.07Å
13R95.8Very high96.2Very high43 Ų4385.2 Ų85.216%0.16242%0.423CS..Hα-helixtrans-59.4-31.4179.2178.956.9-17586.9-1113I9 L11 T15 L16 A23 F26 D27I9-R13 WeakPolarHBondContact O-CB 3.47Å; I9-R13 PolarHBondContact O-N 3.5Å; L11-R13 VanDerWaalsContact C-N 3.31Å; L11-R13 PolarHBondContact O-N 3.2Å; R13-T15 VanDerWaalsContact C-N 3.31Å; R13-L16 PolarHBondContact NH1-O 3.29Å; R13-L16 PolarHBondContact O-N 2.86Å; R13-A23 PolarHBondContact NE-O 3Å; R13-F26 HydrophobicContact CB-CB 4.39Å; R13-F26 HydrophobicContact CB-CD2 4.14Å; R13-D27 WeakPolarHBondContact CD-OD1 3.49Å; R13-D27 IonicContact CZ-OD1 2.63Å; R13-D27 IonicContact CZ-OD2 3.54Å; R13-D27 IonicContact NE-OD1 2.7Å; R13-D27 PolarHBondContact NE-OD1 3.07Å; R13-D27 IonicContact NE-OD2 2.73Å; R13-D27 PolarHBondContact NE-OD2 2.92Å; R13-D27 VanDerWaalsContact NE-OD2 3.13Å; R13-D27 IonicContact NH2-OD1 3.51Å; R13-D27 IonicContact NH2-OD2 3.52Å; R13-D27 PolarHBondContact NH2-OD2 3.06Å
14K95.3Very high96.3Very high169 Ų16984.9 Ų84.974%0.73542%0.419SS*.Hα-helixtrans-72.2-21.7178.1-68.4172.6-175.9177.80113.5Q10 L11 Q12Q10-K14 WeakPolarHBondContact O-CG 3.3Å; L11-K14 PolarHBondContact O-N 3.41Å; Q12-K14 PolarHBondContact O-N 3.42Å
15T96.9Very high96.3Very high103 Ų10383.3 Ų83.363%0.63241%0.411SS*.Hα-helixtrans-86.5-14.8179.3710000112.3Q12 R13Q12-T15 PolarHBondContact O-N 2.96Å; Q12-T15 PolarHBondContact O-OG1 2.72Å; R13-T15 VanDerWaalsContact C-N 3.31Å
16L95.7Very high96.3Very high53 Ų5380.4 Ų80.428%0.27740%0.395SS..SBendtrans-94.6140-177.4-61.5172.9000111.9R13 A20 M22 A23 F26R13-L16 PolarHBondContact NH1-O 3.29Å; R13-L16 PolarHBondContact O-N 2.86Å; L16-A20 HydrophobicContact CB-CB 4.49Å; L16-M22 HydrophobicContact CD1-CB 3.87Å; L16-M22 HydrophobicContact CD1-CG 3.9Å; L16-A23 HydrophobicContact CB-CB 3.93Å; L16-A23 HydrophobicContact CD1-CB 4.26Å; L16-F26 HydrophobicContact CD1-CD2 3.79Å; L16-F26 HydrophobicContact CD1-CE2 3.73Å
17S95.7Very high96.3Very high79 Ų7979.9 Ų79.955%0.55240%0.397SS*.  trans-59.5145167.2174.80000110.6H19 A20 A23S17-H19 PolarHBondContact O-N 2.94Å; S17-A20 WeakPolarHBondContact O-CB 3.36Å; S17-A20 PolarHBondContact O-N 3.37Å; S17-A23 WeakPolarHBondContact O-CB 3.23Å
18K90.2Very high96.3Very high159 Ų15983.8 Ų83.869%0.69141%0.407SS*.THydrogen-bonded Turntrans-53.9-28.7177.7-175.8179.6177.9-178.40113.3
19H93Very high96.2Very high149 Ų14980.2 Ų80.269%0.6940%0.397SS*.THydrogen-bonded Turntrans-90.4-4.9-177.4-59.3-68000114S17S17-H19 PolarHBondContact O-N 2.94Å
20A96.2Very high96.1Very high32 Ų3281.8 Ų81.826%0.26441%0.405SS..  trans-68137.8178.800000111.1L16 S17 M22 A23 K24L16-A20 HydrophobicContact CB-CB 4.49Å; S17-A20 WeakPolarHBondContact O-CB 3.36Å; S17-A20 PolarHBondContact O-N 3.37Å; A20-M22 PolarHBondContact O-N 3.44Å; A20-A23 HydrophobicContact CB-CB 4.09Å; A20-A23 VanDerWaalsContact O-CB 3.3Å; A20-A23 WeakPolarHBondContact O-CB 3.23Å; A20-A23 PolarHBondContact O-N 3.4Å; A20-K24 PolarHBondContact O-N 3.45Å; A20-K24 VanDerWaalsContact O-N 3.17Å
21E97.2Very high96.1Very high132 Ų13284.5 Ų84.562%0.61742%0.422SS*.Hα-helixtrans-58.5-37.9177.5-65.1-53.2127.800112.3A23 K24 A25E21-A23 VanDerWaalsContact C-N 3.3Å; E21-A23 PolarHBondContact O-N 2.63Å; E21-K24 WeakPolarHBondContact O-CB 3.3Å; E21-K24 PolarHBondContact O-N 3.35Å; E21-K24 IonicContact OE1-NZ 3.99Å; E21-K24 PolarHBondContact OE1-NZ 3.07Å; E21-K24 IonicContact OE2-NZ 3.13Å; E21-A25 PolarHBondContact O-N 3.1Å
22M96.8Very high96Very high95 Ų9583.7 Ų83.747%0.46842%0.415SS..Hα-helixtrans-64.5-34.7175.3-164.368.8-141.300112.5L16 A20 K24 A25 F26L16-M22 HydrophobicContact CD1-CB 3.87Å; L16-M22 HydrophobicContact CD1-CG 3.9Å; A20-M22 PolarHBondContact O-N 3.44Å; M22-K24 VanDerWaalsContact C-N 3.35Å; M22-A25 HydrophobicContact CE-CB 4.43Å; M22-A25 PolarHBondContact O-N 2.98Å; M22-F26 HydrophobicContact CE-CD1 3.62Å; M22-F26 HydrophobicContact CE-CE1 3.12Å; M22-F26 HydrophobicContact CE-CE2 4.24Å; M22-F26 HydrophobicContact CE-CG 4.37Å; M22-F26 HydrophobicContact CE-CZ 3.48Å; M22-F26 VanDerWaalsContact CE-CZ 3.48Å; M22-F26 HydrophobicContact CG-CD2 4.45Å; M22-F26 HydrophobicContact CG-CE2 4.05Å; M22-F26 HydrophobicContact CG-CZ 4.12Å; M22-F26 WeakPolarHBondContact O-CG 3.18Å; M22-F26 PolarHBondContact O-N 2.93Å
23A97.1Very high95.9Very high0 Ų081.5 Ų81.50%040%0.404CS..Hα-helixtrans-65.6-40.9176.100000110.9R13 L16 S17 A20 E21 F26 D27R13-A23 PolarHBondContact NE-O 3Å; L16-A23 HydrophobicContact CB-CB 3.93Å; L16-A23 HydrophobicContact CD1-CB 4.26Å; S17-A23 WeakPolarHBondContact O-CB 3.23Å; A20-A23 HydrophobicContact CB-CB 4.09Å; A20-A23 VanDerWaalsContact O-CB 3.3Å; A20-A23 WeakPolarHBondContact O-CB 3.23Å; A20-A23 PolarHBondContact O-N 3.4Å; E21-A23 VanDerWaalsContact C-N 3.3Å; E21-A23 PolarHBondContact O-N 2.63Å; A23-F26 PolarHBondContact O-N 3.49Å; A23-D27 WeakPolarHBondContact O-CB 3.22Å; A23-D27 VanDerWaalsContact O-CG 3.22Å; A23-D27 PolarHBondContact O-N 2.9Å
24K96.8Very high95.8Very high104 Ų10484.8 Ų84.845%0.45243%0.425SS..Hα-helixtrans-62.4-42.5174.2-62175.6-174.5165.90111.9A20 E21 M22 D27 Y28A20-K24 PolarHBondContact O-N 3.45Å; A20-K24 VanDerWaalsContact O-N 3.17Å; E21-K24 WeakPolarHBondContact O-CB 3.3Å; E21-K24 PolarHBondContact O-N 3.35Å; E21-K24 IonicContact OE1-NZ 3.99Å; E21-K24 PolarHBondContact OE1-NZ 3.07Å; E21-K24 IonicContact OE2-NZ 3.13Å; M22-K24 VanDerWaalsContact C-N 3.35Å; K24-D27 PolarHBondContact O-N 3.4Å; K24-Y28 WeakPolarHBondContact O-CB 3.27Å; K24-Y28 PolarHBondContact O-N 3.5Å
25A96.8Very high95.7Very high42 Ų4280.2 Ų80.235%0.34742%0.418SS..Hα-helixtrans-63-43.717700000112E21 M22 Y28 I29E21-A25 PolarHBondContact O-N 3.1Å; M22-A25 HydrophobicContact CE-CB 4.43Å; M22-A25 PolarHBondContact O-N 2.98Å; A25-Y28 WeakPolarHBondContact O-CB 3.28Å; A25-Y28 PolarHBondContact O-N 2.87Å; A25-I29 WeakPolarHBondContact O-CG1 3.44Å; A25-I29 PolarHBondContact O-N 3.3Å
26F97.3Very high95.5Very high11 Ų1178.8 Ų78.85%0.04841%0.407CS..Hα-helixtrans-63.1-44.8173.4-73-21.5000112.5W8 I9 Q12 R13 L16 M22 A23 Y28 I29 L30W8-F26 HydrophobicContact CH2-CZ 4.05Å; W8-F26 AromaticContact CZ3-CE1 3.98Å; W8-F26 HydrophobicContact CZ3-CE1 3.98Å; W8-F26 AromaticContact CZ3-CZ 3.8Å; W8-F26 HydrophobicContact CZ3-CZ 3.8Å; I9-F26 HydrophobicContact CG1-CD1 4.22Å; I9-F26 HydrophobicContact CG1-CE1 4.16Å; I9-F26 HydrophobicContact CG2-CB 3.8Å; I9-F26 HydrophobicContact CG2-CD1 3.75Å; I9-F26 HydrophobicContact CG2-CD2 4.41Å; I9-F26 HydrophobicContact CG2-CE1 4.39Å; I9-F26 HydrophobicContact CG2-CG 3.76Å; Q12-F26 HydrophobicContact CB-CD2 4.45Å; Q12-F26 HydrophobicContact CB-CE2 3.58Å; Q12-F26 HydrophobicContact CB-CZ 4.07Å; R13-F26 HydrophobicContact CB-CB 4.39Å; R13-F26 HydrophobicContact CB-CD2 4.14Å; L16-F26 HydrophobicContact CD1-CD2 3.79Å; L16-F26 HydrophobicContact CD1-CE2 3.73Å; M22-F26 HydrophobicContact CE-CD1 3.62Å; M22-F26 HydrophobicContact CE-CE1 3.12Å; M22-F26 HydrophobicContact CE-CE2 4.24Å; M22-F26 HydrophobicContact CE-CG 4.37Å; M22-F26 HydrophobicContact CE-CZ 3.48Å; M22-F26 VanDerWaalsContact CE-CZ 3.48Å; M22-F26 HydrophobicContact CG-CD2 4.45Å; M22-F26 HydrophobicContact CG-CE2 4.05Å; M22-F26 HydrophobicContact CG-CZ 4.12Å; M22-F26 WeakPolarHBondContact O-CG 3.18Å; M22-F26 PolarHBondContact O-N 2.93Å; A23-F26 PolarHBondContact O-N 3.49Å; F26-Y28 VanDerWaalsContact C-N 3.27Å; F26-Y28 PolarHBondContact O-N 3.47Å; F26-I29 PolarHBondContact O-N 3.04Å; F26-L30 WeakPolarHBondContact O-CB 3.12Å; F26-L30 VanDerWaalsContact O-CG 3.26Å; F26-L30 WeakPolarHBondContact O-CG 3.49Å; F26-L30 PolarHBondContact O-N 3.18Å
27D96.8Very high95.5Very high50 Ų5077 Ų7727%0.26740%0.398SS..Hα-helixtrans-59.6-40.5176.4-71.7-22000111.1R13 A23 K24 L30 N31R13-D27 WeakPolarHBondContact CD-OD1 3.49Å; R13-D27 IonicContact CZ-OD1 2.63Å; R13-D27 IonicContact CZ-OD2 3.54Å; R13-D27 IonicContact NE-OD1 2.7Å; R13-D27 PolarHBondContact NE-OD1 3.07Å; R13-D27 IonicContact NE-OD2 2.73Å; R13-D27 PolarHBondContact NE-OD2 2.92Å; R13-D27 VanDerWaalsContact NE-OD2 3.13Å; R13-D27 IonicContact NH2-OD1 3.51Å; R13-D27 IonicContact NH2-OD2 3.52Å; R13-D27 PolarHBondContact NH2-OD2 3.06Å; A23-D27 WeakPolarHBondContact O-CB 3.22Å; A23-D27 VanDerWaalsContact O-CG 3.22Å; A23-D27 PolarHBondContact O-N 2.9Å; K24-D27 PolarHBondContact O-N 3.4Å; D27-L30 PolarHBondContact O-N 3.4Å; D27-N31 WeakPolarHBondContact O-CB 3.47Å; D27-N31 PolarHBondContact O-N 3.17Å; D27-N31 PolarHBondContact O-ND2 3.36Å
28Y96.2Very high95.4Very high153 Ų15377 Ų7760%0.639%0.389SS*.Hα-helixtrans-60.6-50.1175.1-179-98.2000112.2K24 A25 F26 L30 N31 H32K24-Y28 WeakPolarHBondContact O-CB 3.27Å; K24-Y28 PolarHBondContact O-N 3.5Å; A25-Y28 WeakPolarHBondContact O-CB 3.28Å; A25-Y28 PolarHBondContact O-N 2.87Å; F26-Y28 VanDerWaalsContact C-N 3.27Å; F26-Y28 PolarHBondContact O-N 3.47Å; Y28-L30 VanDerWaalsContact C-N 3.33Å; Y28-L30 PolarHBondContact O-N 3.17Å; Y28-N31 PolarHBondContact O-N 3.16Å; Y28-H32 AromaticContact CD2-CD2 3.8Å; Y28-H32 AromaticContact CD2-NE2 3.97Å; Y28-H32 AromaticContact CE2-CD2 3.53Å; Y28-H32 AromaticContact CE2-NE2 3.52Å; Y28-H32 AromaticContact CZ-CD2 3.74Å; Y28-H32 PolarHBondContact O-CD2 3.08Å; Y28-H32 VanDerWaalsContact O-CD2 3.26Å; Y28-H32 PolarHBondContact O-N 3.09Å
29I95.7Very high95.6Very high55 Ų5572 Ų7228%0.28237%0.367SS..Hα-helixtrans-59.1-44.9177.1-68.9167.6000111I9 A25 F26 H32 W33 L36I9-I29 HydrophobicContact CD1-CD1 4.46Å; I9-I29 HydrophobicContact CD1-CG2 3.89Å; A25-I29 WeakPolarHBondContact O-CG1 3.44Å; A25-I29 PolarHBondContact O-N 3.3Å; F26-I29 PolarHBondContact O-N 3.04Å; I29-H32 CarbonylContact O-C 3.48Å; I29-H32 PolarHBondContact O-N 3.4Å; I29-W33 HydrophobicContact CG2-CE3 3.87Å; I29-W33 HydrophobicContact CG2-CZ3 3.88Å; I29-W33 WeakPolarHBondContact O-CA 3.41Å; I29-W33 PolarHBondContact O-N 2.91Å; I29-L36 HydrophobicContact CG2-CD2 4.04Å
30L96.1Very high95.6Very high37 Ų3768.4 Ų68.419%0.19436%0.358CS..Hα-helixtrans-65.4-39.1-179.4-69.4172.8000112.1Y6 I9 Q10 F26 D27 Y28 H32 W33Y6-L30 HydrophobicContact CD2-CD2 3.68Å; Y6-L30 HydrophobicContact CE2-CD2 3.39Å; I9-L30 HydrophobicContact CG2-CD1 4.05Å; I9-L30 HydrophobicContact CG2-CD2 3.98Å; I9-L30 HydrophobicContact CG2-CG 3.9Å; Q10-L30 HydrophobicContact CG-CD1 4.49Å; Q10-L30 HydrophobicContact CG-CD2 4.01Å; F26-L30 WeakPolarHBondContact O-CB 3.12Å; F26-L30 VanDerWaalsContact O-CG 3.26Å; F26-L30 WeakPolarHBondContact O-CG 3.49Å; F26-L30 PolarHBondContact O-N 3.18Å; D27-L30 PolarHBondContact O-N 3.4Å; Y28-L30 VanDerWaalsContact C-N 3.33Å; Y28-L30 PolarHBondContact O-N 3.17Å; L30-H32 VanDerWaalsContact C-N 3.26Å; L30-H32 PolarHBondContact O-N 3.39Å; L30-W33 WeakPolarHBondContact O-CB 3.34Å; L30-W33 PolarHBondContact O-N 2.84Å
31N97.1Very high95.5Very high130 Ų13075.4 Ų75.470%0.69538%0.377SS*.Hα-helixtrans-64.5-31.1176.8-72.2-22.1000112.6D27 Y28D27-N31 WeakPolarHBondContact O-CB 3.47Å; D27-N31 PolarHBondContact O-N 3.17Å; D27-N31 PolarHBondContact O-ND2 3.36Å; Y28-N31 PolarHBondContact O-N 3.16Å
32H95.5Very high95.4Very high91 Ų9172 Ų7242%0.42136%0.364SS..THydrogen-bonded Turntrans-102.214.6179.2-65.6-68.4000113.4Y28 I29 L30 N34 A35 L36Y28-H32 AromaticContact CD2-CD2 3.8Å; Y28-H32 AromaticContact CD2-NE2 3.97Å; Y28-H32 AromaticContact CE2-CD2 3.53Å; Y28-H32 AromaticContact CE2-NE2 3.52Å; Y28-H32 AromaticContact CZ-CD2 3.74Å; Y28-H32 PolarHBondContact O-CD2 3.08Å; Y28-H32 VanDerWaalsContact O-CD2 3.26Å; Y28-H32 PolarHBondContact O-N 3.09Å; I29-H32 CarbonylContact O-C 3.48Å; I29-H32 PolarHBondContact O-N 3.4Å; L30-H32 VanDerWaalsContact C-N 3.26Å; L30-H32 PolarHBondContact O-N 3.39Å; H32-N34 VanDerWaalsContact C-N 3.33Å; H32-N34 PolarHBondContact O-N 2.94Å; H32-A35 PolarHBondContact O-N 3.03Å; H32-A35 VanDerWaalsContact O-N 3.12Å; H32-L36 WeakPolarHBondContact O-CB 3.27Å; H32-L36 PolarHBondContact O-N 3.46Å
33W95.7Very high95.2Very high25 Ų2571.3 Ų71.310%0.09538%0.38CS..Hα-helixtrans-56.2-44.3-169.8-171.6-101.2000113.5M2 L5 Y6 I9 I29 L30 L36 N37M2-W33 HydrophobicContact CB-CZ2 4.24Å; M2-W33 HydrophobicContact CE-CH2 4.03Å; M2-W33 HydrophobicContact CE-CZ2 4.28Å; M2-W33 WeakPolarHBondContact O-CH2 3.35Å; M2-W33 VanDerWaalsContact O-CZ2 3.24Å; M2-W33 WeakPolarHBondContact O-CZ2 3.45Å; L5-W33 HydrophobicContact CB-CH2 4.38Å; L5-W33 HydrophobicContact CD2-CH2 4.41Å; L5-W33 HydrophobicContact CG-CH2 4.32Å; Y6-W33 AromaticContact CD2-CD1 3.89Å; Y6-W33 AromaticContact CD2-CD2 3.28Å; Y6-W33 HydrophobicContact CD2-CD2 3.28Å; Y6-W33 AromaticContact CD2-CE2 3.27Å; Y6-W33 AromaticContact CD2-CE3 3.66Å; Y6-W33 HydrophobicContact CD2-CE3 3.66Å; Y6-W33 AromaticContact CD2-CG 3.72Å; Y6-W33 HydrophobicContact CD2-CG 3.72Å; Y6-W33 HydrophobicContact CD2-CH2 4.05Å; Y6-W33 AromaticContact CD2-CZ2 3.74Å; Y6-W33 HydrophobicContact CD2-CZ2 3.74Å; Y6-W33 HydrophobicContact CD2-CZ3 4Å; Y6-W33 AromaticContact CD2-NE1 3.6Å; Y6-W33 HydrophobicContact CE2-CB 4.31Å; Y6-W33 AromaticContact CE2-CD1 3.9Å; Y6-W33 AromaticContact CE2-CD2 3.8Å; Y6-W33 HydrophobicContact CE2-CD2 3.8Å; Y6-W33 HydrophobicContact CE2-CE3 4.32Å; Y6-W33 AromaticContact CE2-CG 3.73Å; Y6-W33 HydrophobicContact CE2-CG 3.73Å; Y6-W33 HydrophobicContact CG-CD2 4.28Å; Y6-W33 AromaticContact CG-CE2 3.83Å; Y6-W33 HydrophobicContact CG-CH2 4.35Å; Y6-W33 AromaticContact CG-CZ2 3.95Å; Y6-W33 HydrophobicContact CG-CZ2 3.95Å; I9-W33 HydrophobicContact CD1-CZ3 4.3Å; I29-W33 HydrophobicContact CG2-CE3 3.87Å; I29-W33 HydrophobicContact CG2-CZ3 3.88Å; I29-W33 WeakPolarHBondContact O-CA 3.41Å; I29-W33 PolarHBondContact O-N 2.91Å; L30-W33 WeakPolarHBondContact O-CB 3.34Å; L30-W33 PolarHBondContact O-N 2.84Å; W33-L36 HydrophobicContact CE3-CD2 4.5Å; W33-L36 PolarHBondContact O-N 3.16Å; W33-N37 WeakPolarHBondContact CZ2-ND2 3.46Å; W33-N37 PolarHBondContact NE1-ND2 2.82Å; W33-N37 VanDerWaalsContact NE1-ND2 3.15Å; W33-N37 PolarHBondContact O-N 3.28Å; W33-N37 VanDerWaalsContact O-N 3.16Å; W33-N37 PolarHBondContact O-ND2 3.44Å
34N94Very high95.1Very high112 Ų11282.6 Ų82.660%0.59942%0.423SS*.Hα-helixtrans-63.4-46.5179.8-70.3-27.5000111.7H32 N37 E38H32-N34 VanDerWaalsContact C-N 3.33Å; H32-N34 PolarHBondContact O-N 2.94Å; N34-N37 PolarHBondContact O-N 3.37Å; N34-E38 PolarHBondContact O-N 3.04Å
35A93.4Very high94.9Very high72 Ų7280.5 Ų80.560%0.59542%0.419SS*.Hα-helixtrans-64.9-41178.700000111.9H32 N37 E38H32-A35 PolarHBondContact O-N 3.03Å; H32-A35 VanDerWaalsContact O-N 3.12Å; A35-N37 PolarHBondContact O-N 2.93Å; A35-E38 WeakPolarHBondContact O-CB 3.45Å; A35-E38 PolarHBondContact O-N 2.92Å
36L92.9Very high94.7Very high74 Ų7484.2 Ų84.239%0.38743%0.429SS..Hα-helixtrans-61.5-26.1176.1-17963.7000112.7M2 I29 H32 W33 F39M2-L36 HydrophobicContact CE-CD2 4.34Å; M2-L36 HydrophobicContact CE-CG 4.35Å; I29-L36 HydrophobicContact CG2-CD2 4.04Å; H32-L36 WeakPolarHBondContact O-CB 3.27Å; H32-L36 PolarHBondContact O-N 3.46Å; W33-L36 HydrophobicContact CE3-CD2 4.5Å; W33-L36 PolarHBondContact O-N 3.16Å; L36-F39 WeakPolarHBondContact O-CD1 3.31Å; L36-F39 WeakPolarHBondContact O-CE1 3.45Å
37N94.2Very high94.5Very high16 Ų1688.8 Ų88.89%0.08645%0.453CS..THydrogen-bonded Turntrans-97.35.5-179.2-77.5-82.5000113.8M2 W33 N34 A35 F39 C40M2-N37 WeakPolarHBondContact CB-OD1 3.5Å; M2-N37 VanDerWaalsContact CE-OD1 3.26Å; M2-N37 WeakPolarHBondContact CE-OD1 3.39Å; M2-N37 WeakPolarHBondContact CG-OD1 3.36Å; W33-N37 WeakPolarHBondContact CZ2-ND2 3.46Å; W33-N37 PolarHBondContact NE1-ND2 2.82Å; W33-N37 VanDerWaalsContact NE1-ND2 3.15Å; W33-N37 PolarHBondContact O-N 3.28Å; W33-N37 VanDerWaalsContact O-N 3.16Å; W33-N37 PolarHBondContact O-ND2 3.44Å; N34-N37 PolarHBondContact O-N 3.37Å; A35-N37 PolarHBondContact O-N 2.93Å; N37-F39 VanDerWaalsContact C-N 3.28Å; N37-F39 PolarHBondContact O-N 3.39Å; N37-C40 VanDerWaalsContact O-CB 3.3Å; N37-C40 WeakPolarHBondContact O-CB 3.1Å; N37-C40 PolarHBondContact O-N 3.1Å
38E94.2Very high94.3Very high77 Ų7790 Ų9036%0.3646%0.459SS..G310 helixtrans-62.2-38.3-176.2-163.759.7-15200111.8N34 A35 C40 R41 D42 V45N34-E38 PolarHBondContact O-N 3.04Å; A35-E38 WeakPolarHBondContact O-CB 3.45Å; A35-E38 PolarHBondContact O-N 2.92Å; E38-C40 PolarHBondContact O-N 3.12Å; E38-C40 VanDerWaalsContact O-N 3.08Å; E38-R41 WeakPolarHBondContact O-CA 3.44Å; E38-R41 PolarHBondContact O-N 2.68Å; E38-D42 PolarHBondContact O-N 3.03Å; E38-V45 HydrophobicContact CB-CG1 4.42Å; E38-V45 HydrophobicContact CG-CG1 4.49Å; E38-V45 HydrophobicContact CG-CG2 4.3Å
39F93.6Very high93.9Very high55 Ų5587.2 Ų87.224%0.24146%0.455CS..G310 helixtrans-58.9-23.1174.682.5-87.4000113.9M2 L36 N37 R41 V45 I47M2-F39 HydrophobicContact SD-CZ 4.47Å; L36-F39 WeakPolarHBondContact O-CD1 3.31Å; L36-F39 WeakPolarHBondContact O-CE1 3.45Å; N37-F39 VanDerWaalsContact C-N 3.28Å; N37-F39 PolarHBondContact O-N 3.39Å; F39-R41 VanDerWaalsContact C-N 3.3Å; F39-V45 HydrophobicContact CB-CG1 4.49Å; F39-I47 HydrophobicContact CB-CB 4.47Å; F39-I47 HydrophobicContact CD1-CB 4.45Å; F39-I47 HydrophobicContact CD1-CG1 3.92Å; F39-I47 HydrophobicContact CD2-CB 4.08Å; F39-I47 HydrophobicContact CD2-CD1 4.06Å; F39-I47 HydrophobicContact CD2-CG1 3.9Å; F39-I47 HydrophobicContact CE1-CD1 4.21Å; F39-I47 HydrophobicContact CE1-CG1 3.84Å; F39-I47 HydrophobicContact CE2-CB 4.45Å; F39-I47 HydrophobicContact CE2-CD1 3.56Å; F39-I47 HydrophobicContact CE2-CG1 3.83Å; F39-I47 HydrophobicContact CG-CB 4.07Å; F39-I47 HydrophobicContact CG-CG1 3.95Å; F39-I47 HydrophobicContact CZ-CD1 3.64Å; F39-I47 HydrophobicContact CZ-CG1 3.79Å
40C94.1Very high93.8Very high73 Ų7388.2 Ų88.249%0.49346%0.461SS..G310 helixtrans-77.8-19175.9-68.10000112.4N37 E38N37-C40 VanDerWaalsContact O-CB 3.3Å; N37-C40 WeakPolarHBondContact O-CB 3.1Å; N37-C40 PolarHBondContact O-N 3.1Å; E38-C40 PolarHBondContact O-N 3.12Å; E38-C40 VanDerWaalsContact O-N 3.08Å
41R93.4Very high93.5Very high179 Ų17992.1 Ų92.168%0.67548%0.48SS*.THydrogen-bonded Turntrans-103.2-35.9-177.3-64.4177.6174.7171.2-0.8111.5E38 F39E38-R41 WeakPolarHBondContact O-CA 3.44Å; E38-R41 PolarHBondContact O-N 2.68Å; F39-R41 VanDerWaalsContact C-N 3.3Å
42D94.7Very high93.1Very high62 Ų6287.8 Ų87.833%0.33247%0.467SS..  trans-122.4113179.2-171.9-4.4000110.7E38 W44 V45E38-D42 PolarHBondContact O-N 3.03Å; D42-W44 PolarHBondContact O-N 3.25Å; D42-W44 WeakPolarHBondContact OD1-CB 3.3Å; D42-W44 VanDerWaalsContact OD1-CD1 3.29Å; D42-W44 PolarHBondContact OD1-N 2.82Å; D42-V45 HydrophobicContact CB-CB 4.49Å; D42-V45 HydrophobicContact CB-CG2 3.86Å; D42-V45 PolarHBondContact O-N 3.21Å
43G93.6Very high93Very high79 Ų7988.6 Ų88.681%0.81447%0.471SS*.THydrogen-bonded Turntrans-71.4-6.417900000114.7
44W94.6Very high92.8Very high237 Ų23792.3 Ų92.390%0.89849%0.493SS*.THydrogen-bonded Turntrans-85.5-12.5172.1-65.983.3000112.9D42D42-W44 PolarHBondContact O-N 3.25Å; D42-W44 WeakPolarHBondContact OD1-CB 3.3Å; D42-W44 VanDerWaalsContact OD1-CD1 3.29Å; D42-W44 PolarHBondContact OD1-N 2.82Å
45V93.4Very high92.5Very high60 Ų6089.6 Ų89.636%0.36449%0.486SS..SBendtrans-91.6127.1-179.2178.80000109.5E38 F39 D42E38-V45 HydrophobicContact CB-CG1 4.42Å; E38-V45 HydrophobicContact CG-CG1 4.49Å; E38-V45 HydrophobicContact CG-CG2 4.3Å; F39-V45 HydrophobicContact CB-CG1 4.49Å; D42-V45 HydrophobicContact CB-CB 4.49Å; D42-V45 HydrophobicContact CB-CG2 3.86Å; D42-V45 PolarHBondContact O-N 3.21Å
46E92.3Very high92.4Very high120 Ų12091.7 Ų91.756%0.56149%0.486SS*.  trans-63.8144.2173.9-67.3-65.8167.100111.3D48 I51E46-D48 WeakPolarHBondContact CB-O 3.46Å; E46-D48 PolarHBondContact O-N 3.08Å; E46-I51 HydrophobicContact CG-CD1 3.93Å
47I92.9Very high92.4Very high108 Ų10896.3 Ų96.355%0.55450%0.499SS*.SBendtrans-67.6-23.4177-170.6167.6000112.5F39F39-I47 HydrophobicContact CB-CB 4.47Å; F39-I47 HydrophobicContact CD1-CB 4.45Å; F39-I47 HydrophobicContact CD1-CG1 3.92Å; F39-I47 HydrophobicContact CD2-CB 4.08Å; F39-I47 HydrophobicContact CD2-CD1 4.06Å; F39-I47 HydrophobicContact CD2-CG1 3.9Å; F39-I47 HydrophobicContact CE1-CD1 4.21Å; F39-I47 HydrophobicContact CE1-CG1 3.84Å; F39-I47 HydrophobicContact CE2-CB 4.45Å; F39-I47 HydrophobicContact CE2-CD1 3.56Å; F39-I47 HydrophobicContact CE2-CG1 3.83Å; F39-I47 HydrophobicContact CG-CB 4.07Å; F39-I47 HydrophobicContact CG-CG1 3.95Å; F39-I47 HydrophobicContact CZ-CD1 3.64Å; F39-I47 HydrophobicContact CZ-CG1 3.79Å
48D91.8Very high92.1Very high74 Ų7498.1 Ų98.140%0.39651%0.512SS..SBendtrans-126.8171.1-177.967.449.8000111.7E46 N50E46-D48 WeakPolarHBondContact CB-O 3.46Å; E46-D48 PolarHBondContact O-N 3.08Å; D48-N50 WeakPolarHBondContact OD1-CB 3.31Å; D48-N50 VanDerWaalsContact OD1-CG 3.23Å; D48-N50 PolarHBondContact OD1-N 3.46Å; D48-N50 PolarHBondContact OD1-ND2 2.99Å; D48-N50 PolarHBondContact OD2-ND2 3Å
49N89.3Confident92Very high95 Ų9596.7 Ų96.751%0.50851%0.509SS..  trans-99.417179.966.6-18.7000112.3I51 G52 E53N49-I51 PolarHBondContact O-N 3.25Å; N49-I51 VanDerWaalsContact O-N 3.13Å; N49-G52 WeakPolarHBondContact O-CA 3.48Å; N49-G52 PolarHBondContact O-N 3.29Å; N49-E53 PolarHBondContact ND2-OE1 3.21Å; N49-E53 PolarHBondContact O-N 2.97Å; N49-E53 PolarHBondContact OD1-OE1 3.24Å
50N92.7Very high91.9Very high77 Ų7796.2 Ų96.241%0.41252%0.515SS..Hα-helixtrans-57.8-35.2-170.5-78.6-37.5000112.5D48 G52 E53 N54D48-N50 WeakPolarHBondContact OD1-CB 3.31Å; D48-N50 VanDerWaalsContact OD1-CG 3.23Å; D48-N50 PolarHBondContact OD1-N 3.46Å; D48-N50 PolarHBondContact OD1-ND2 2.99Å; D48-N50 PolarHBondContact OD2-ND2 3Å; N50-G52 VanDerWaalsContact C-N 3.34Å; N50-G52 PolarHBondContact O-N 3.26Å; N50-E53 PolarHBondContact O-N 2.99Å; N50-N54 WeakPolarHBondContact O-CB 3.32Å; N50-N54 PolarHBondContact O-N 3.42Å; N50-N54 PolarHBondContact O-ND2 3.24Å; N50-N54 VanDerWaalsContact O-ND2 3.09Å
51I90.6Very high91.8Very high118 Ų11896.2 Ų96.261%0.60551%0.513SS*.Hα-helixtrans-59.9-46.5176.2-62.2177.5000110.5E46 N49 A55E46-I51 HydrophobicContact CG-CD1 3.93Å; N49-I51 PolarHBondContact O-N 3.25Å; N49-I51 VanDerWaalsContact O-N 3.13Å; I51-A55 PolarHBondContact O-N 3.05Å
52G89.1Confident91.6Very high40 Ų4088 Ų8841%0.41248%0.483SS..Hα-helixtrans-67.2-43.9178.100000112.6N49 N50 N54 A55 L56N49-G52 WeakPolarHBondContact O-CA 3.48Å; N49-G52 PolarHBondContact O-N 3.29Å; N50-G52 VanDerWaalsContact C-N 3.34Å; N50-G52 PolarHBondContact O-N 3.26Å; G52-N54 VanDerWaalsContact C-N 3.35Å; G52-N54 PolarHBondContact O-N 3.13Å; G52-A55 WeakPolarHBondContact O-CB 3.14Å; G52-A55 PolarHBondContact O-N 3.4Å; G52-L56 WeakPolarHBondContact O-CG 3.49Å; G52-L56 PolarHBondContact O-N 3.37Å; G52-L56 VanDerWaalsContact O-N 3.11Å
53E92.7Very high91.4Very high107 Ų10792 Ų9250%0.549%0.494SS..Hα-helixtrans-63.5-41.1177-65-166.5169.300112.1N49 N50 A55 L56 R57N49-E53 PolarHBondContact ND2-OE1 3.21Å; N49-E53 PolarHBondContact O-N 2.97Å; N49-E53 PolarHBondContact OD1-OE1 3.24Å; N50-E53 PolarHBondContact O-N 2.99Å; E53-A55 VanDerWaalsContact C-N 3.34Å; E53-A55 PolarHBondContact O-N 3.49Å; E53-L56 PolarHBondContact O-N 2.91Å; E53-R57 PolarHBondContact O-N 3.46Å; E53-R57 VanDerWaalsContact O-N 3.07Å
54N91.8Very high91.3Very high104 Ų10497.1 Ų97.156%0.55649%0.494SS*.Hα-helixtrans-64-38.4175.6-78.9-34.9000112N50 G52 L56 R57N50-N54 WeakPolarHBondContact O-CB 3.32Å; N50-N54 PolarHBondContact O-N 3.42Å; N50-N54 PolarHBondContact O-ND2 3.24Å; N50-N54 VanDerWaalsContact O-ND2 3.09Å; G52-N54 VanDerWaalsContact C-N 3.35Å; G52-N54 PolarHBondContact O-N 3.13Å; N54-L56 VanDerWaalsContact C-N 3.34Å; N54-L56 PolarHBondContact O-N 3.18Å; N54-R57 WeakPolarHBondContact O-CB 3.44Å; N54-R57 PolarHBondContact O-N 2.94Å
55A88.2Confident91.2Very high55 Ų5591.3 Ų91.346%0.45548%0.48SS..Hα-helixtrans-62-42174.800000111.8I51 G52 E53 R57 S58I51-A55 PolarHBondContact O-N 3.05Å; G52-A55 WeakPolarHBondContact O-CB 3.14Å; G52-A55 PolarHBondContact O-N 3.4Å; E53-A55 VanDerWaalsContact C-N 3.34Å; E53-A55 PolarHBondContact O-N 3.49Å; A55-R57 VanDerWaalsContact C-N 3.27Å; A55-R57 PolarHBondContact O-N 2.95Å; A55-S58 PolarHBondContact O-OG 3.15Å
56L90.5Very high91.1Very high116 Ų11693.9 Ų93.961%0.60748%0.484SS*.Hα-helixtrans-73.8-13.9178.6-68.4175.9000114.1G52 E53 N54 S58 V59 A60G52-L56 WeakPolarHBondContact O-CG 3.49Å; G52-L56 PolarHBondContact O-N 3.37Å; G52-L56 VanDerWaalsContact O-N 3.11Å; E53-L56 PolarHBondContact O-N 2.91Å; N54-L56 VanDerWaalsContact C-N 3.34Å; N54-L56 PolarHBondContact O-N 3.18Å; L56-S58 PolarHBondContact O-N 3.37Å; L56-V59 HydrophobicContact CD2-CG2 4.47Å; L56-V59 WeakPolarHBondContact O-CB 3.34Å; L56-V59 PolarHBondContact O-N 2.82Å; L56-A60 PolarHBondContact O-N 2.96Å
57R92.2Very high91Very high171 Ų17195.3 Ų95.365%0.64550%0.495SS*.Hα-helixtrans-56.1-36.7177.8-167-179.1-172.1970.7112.3E53 N54 A55 V59 A60 V61E53-R57 PolarHBondContact O-N 3.46Å; E53-R57 VanDerWaalsContact O-N 3.07Å; N54-R57 WeakPolarHBondContact O-CB 3.44Å; N54-R57 PolarHBondContact O-N 2.94Å; A55-R57 VanDerWaalsContact C-N 3.27Å; A55-R57 PolarHBondContact O-N 2.95Å; R57-V59 VanDerWaalsContact C-N 3.31Å; R57-V59 PolarHBondContact O-N 3.26Å; R57-A60 PolarHBondContact O-N 3.08Å; R57-V61 WeakPolarHBondContact O-CG2 3.49Å; R57-V61 PolarHBondContact O-N 2.89Å
58S89.1Confident90.6Very high53 Ų5398.7 Ų98.737%0.37151%0.506SS..Hα-helixtrans-57.2-43.5176.260.20000112.1A55 L56 V61 G62A55-S58 PolarHBondContact O-OG 3.15Å; L56-S58 PolarHBondContact O-N 3.37Å; S58-V61 PolarHBondContact O-N 3.3Å; S58-G62 PolarHBondContact O-N 3.05Å
59V90.5Very high90.3Very high47 Ų47100.4 Ų100.429%0.28551%0.51SS..Hα-helixtrans-64.6-43.5177.3-174.90000111.1L56 R57 V61 G62 R63 Y82L56-V59 HydrophobicContact CD2-CG2 4.47Å; L56-V59 WeakPolarHBondContact O-CB 3.34Å; L56-V59 PolarHBondContact O-N 2.82Å; R57-V59 VanDerWaalsContact C-N 3.31Å; R57-V59 PolarHBondContact O-N 3.26Å; V59-V61 PolarHBondContact O-N 3.26Å; V59-G62 PolarHBondContact O-N 3.32Å; V59-R63 WeakPolarHBondContact O-CB 3.32Å; V59-R63 PolarHBondContact O-N 3.27Å; V59-Y82 HydrophobicContact CB-CE2 4.45Å; V59-Y82 HydrophobicContact CG1-CE2 4.41Å; V59-Y82 HydrophobicContact CG2-CD1 4.38Å; V59-Y82 HydrophobicContact CG2-CD2 3.92Å; V59-Y82 HydrophobicContact CG2-CE1 4.36Å; V59-Y82 HydrophobicContact CG2-CE2 3.95Å; V59-Y82 HydrophobicContact CG2-CG 4.17Å
60A92.1Very high90.1Very high46 Ų4698.9 Ų98.938%0.3852%0.516SS..Hα-helixtrans-64.1-40.1178.600000112.3L56 R57L56-A60 PolarHBondContact O-N 2.96Å; R57-A60 PolarHBondContact O-N 3.08Å
61V92.6Very high90Very high73 Ų7398.9 Ų98.944%0.44252%0.522SS..Hα-helixtrans-67.8-46.2174.2174.60000110.7R57 S58 V59 R63 K64 N65R57-V61 WeakPolarHBondContact O-CG2 3.49Å; R57-V61 PolarHBondContact O-N 2.89Å; S58-V61 PolarHBondContact O-N 3.3Å; V59-V61 PolarHBondContact O-N 3.26Å; V61-R63 PolarHBondContact O-N 3.49Å; V61-K64 WeakPolarHBondContact O-CB 3.25Å; V61-K64 PolarHBondContact O-N 3.41Å; V61-K64 VanDerWaalsContact O-N 3.08Å; V61-N65 PolarHBondContact O-N 3.28Å; V61-N65 VanDerWaalsContact O-N 3.17Å
62G90Very high90.2Very high5 Ų5100 Ų1005%0.05253%0.53CS..Hα-helixtrans-55.2-47.8176.800000112.2S58 V59 K64 N65 Y66S58-G62 PolarHBondContact O-N 3.05Å; V59-G62 PolarHBondContact O-N 3.32Å; G62-K64 PolarHBondContact O-N 2.72Å; G62-K64 VanDerWaalsContact O-N 3.12Å; G62-N65 PolarHBondContact O-N 3.22Å; G62-Y66 WeakPolarHBondContact O-CD1 3.39Å; G62-Y66 VanDerWaalsContact O-CD2 3.23Å; G62-Y66 WeakPolarHBondContact O-CD2 3.26Å; G62-Y66 PolarHBondContact O-N 3.07Å
63R90.3Very high90.4Very high148 Ų148105.7 Ų105.756%0.55854%0.543SS*.Hα-helixtrans-53.6-34.7176.1178.6174.370-158.8-0.5113.6V59 V61 F69V59-R63 WeakPolarHBondContact O-CB 3.32Å; V59-R63 PolarHBondContact O-N 3.27Å; V61-R63 PolarHBondContact O-N 3.49Å; R63-F69 HydrophobicContact CB-CD1 4.39Å; R63-F69 HydrophobicContact CB-CD2 4.27Å; R63-F69 HydrophobicContact CB-CE1 4.31Å; R63-F69 HydrophobicContact CB-CE2 4.17Å; R63-F69 HydrophobicContact CB-CG 4.37Å; R63-F69 HydrophobicContact CB-CZ 4.2Å; R63-F69 VanDerWaalsContact CD-CE1 3.41Å; R63-F69 HydrophobicContact CG-CD1 3.55Å; R63-F69 HydrophobicContact CG-CD2 4.27Å; R63-F69 HydrophobicContact CG-CE1 3.62Å; R63-F69 HydrophobicContact CG-CE2 4.32Å; R63-F69 HydrophobicContact CG-CG 3.89Å; R63-F69 HydrophobicContact CG-CZ 4.01Å
64K90.5Very high90.3Very high185 Ų185102.1 Ų102.180%0.80454%0.535SS*.Hα-helixtrans-77.9-29.5177.6-173.6-179.1175.9-175.10112.5V61 G62V61-K64 WeakPolarHBondContact O-CB 3.25Å; V61-K64 PolarHBondContact O-N 3.41Å; V61-K64 VanDerWaalsContact O-N 3.08Å; G62-K64 PolarHBondContact O-N 2.72Å; G62-K64 VanDerWaalsContact O-N 3.12Å
65N92.5Very high90.3Very high115 Ų11598.7 Ų98.762%0.61552%0.524SS*.Hα-helixtrans-95.2-19.6-172.9-67.3-8.9000113.6V61 G62V61-N65 PolarHBondContact O-N 3.28Å; V61-N65 VanDerWaalsContact O-N 3.17Å; G62-N65 PolarHBondContact O-N 3.22Å
66Y90.5Very high90.6Very high114 Ų114102.4 Ų102.445%0.44753%0.532SS..  trans-79.1131.5-179.6-59.3-22.8000111.3G62 F68 F69 Y82G62-Y66 WeakPolarHBondContact O-CD1 3.39Å; G62-Y66 VanDerWaalsContact O-CD2 3.23Å; G62-Y66 WeakPolarHBondContact O-CD2 3.26Å; G62-Y66 PolarHBondContact O-N 3.07Å; Y66-F68 PolarHBondContact O-N 3.26Å; Y66-F69 HydrophobicContact CD2-CD2 4.3Å; Y66-Y82 PolarHBondContact OH-OH 3.11Å
67L90.3Very high90.7Very high150 Ų15099.5 Ų99.579%0.78552%0.522SS*.SBendtrans-62.4-28.4177.3-176.260.6000112.4
68F85.4Confident90.7Very high179 Ų17992.5 Ų92.579%0.78550%0.5SS*.SBendtrans-133.3123.2178.4-53-70.3000109.9Y66Y66-F68 PolarHBondContact O-N 3.26Å
69F85Confident90.9Very high111 Ų11192.6 Ų92.649%0.48750%0.504SS..  trans-150.6147.8175.7-174.9-88.3000109.5R63 Y66R63-F69 HydrophobicContact CB-CD1 4.39Å; R63-F69 HydrophobicContact CB-CD2 4.27Å; R63-F69 HydrophobicContact CB-CE1 4.31Å; R63-F69 HydrophobicContact CB-CE2 4.17Å; R63-F69 HydrophobicContact CB-CG 4.37Å; R63-F69 HydrophobicContact CB-CZ 4.2Å; R63-F69 VanDerWaalsContact CD-CE1 3.41Å; R63-F69 HydrophobicContact CG-CD1 3.55Å; R63-F69 HydrophobicContact CG-CD2 4.27Å; R63-F69 HydrophobicContact CG-CE1 3.62Å; R63-F69 HydrophobicContact CG-CE2 4.32Å; R63-F69 HydrophobicContact CG-CG 3.89Å; R63-F69 HydrophobicContact CG-CZ 4.01Å; Y66-F69 HydrophobicContact CD2-CD2 4.3Å
70G85Confident91.1Very high62 Ų6295.5 Ų95.564%0.63952%0.517SS*.  trans121.210.8167.900000117.3
71S91.8Very high91.2Very high77 Ų7797.8 Ų97.854%0.53852%0.522SS..  trans-91.8144.7166.367.20000110.8K73 G74 G75S71-K73 PolarHBondContact O-N 3.48Å; S71-G74 WeakPolarHBondContact O-CA 3.39Å; S71-G74 PolarHBondContact O-N 3.48Å; S71-G74 VanDerWaalsContact O-N 3.1Å; S71-G74 PolarHBondContact OG-N 3.04Å; S71-G74 VanDerWaalsContact OG-N 3.13Å; S71-G75 PolarHBondContact O-N 3.26Å
72D93.6Very high91.2Very high143 Ų14396 Ų9677%0.76551%0.508SS*.Hα-helixtrans-58.2-47.3178.7-64.5-23.6000111.6G74 G75 E76D72-G74 VanDerWaalsContact C-N 3.27Å; D72-G74 PolarHBondContact O-N 3.26Å; D72-G75 WeakPolarHBondContact O-CA 3.23Å; D72-G75 PolarHBondContact O-N 3.44Å; D72-E76 PolarHBondContact O-N 3.49Å
73K94.1Very high91.4Very high159 Ų15999.1 Ų99.169%0.69153%0.529SS*.Hα-helixtrans-58.5-38175-172.7-179.7-179.9179.70112.7S71 G75 S77S71-K73 PolarHBondContact O-N 3.48Å; K73-G75 VanDerWaalsContact C-N 3.35Å; K73-S77 WeakPolarHBondContact O-CB 3.49Å; K73-S77 PolarHBondContact O-N 3.09Å; K73-S77 PolarHBondContact O-OG 2.7Å
74G91.6Very high91.6Very high32 Ų3294.9 Ų94.933%0.3352%0.517SS..Hα-helixtrans-66.7-37.5174.700000112.1S71 D72 S77 A78S71-G74 WeakPolarHBondContact O-CA 3.39Å; S71-G74 PolarHBondContact O-N 3.48Å; S71-G74 VanDerWaalsContact O-N 3.1Å; S71-G74 PolarHBondContact OG-N 3.04Å; S71-G74 VanDerWaalsContact OG-N 3.13Å; D72-G74 VanDerWaalsContact C-N 3.27Å; D72-G74 PolarHBondContact O-N 3.26Å; G74-S77 PolarHBondContact O-N 2.83Å; G74-A78 VanDerWaalsContact O-CB 3.28Å; G74-A78 WeakPolarHBondContact O-CB 3.22Å; G74-A78 PolarHBondContact O-N 2.85Å
75G91.4Very high91.8Very high32 Ų3288.6 Ų88.633%0.3349%0.491SS..Hα-helixtrans-62.1-46.8173.400000112.6S71 D72 K73 A78 A79S71-G75 PolarHBondContact O-N 3.26Å; D72-G75 WeakPolarHBondContact O-CA 3.23Å; D72-G75 PolarHBondContact O-N 3.44Å; K73-G75 VanDerWaalsContact C-N 3.35Å; G75-A78 PolarHBondContact O-N 2.81Å; G75-A79 WeakPolarHBondContact O-CB 3.36Å; G75-A79 PolarHBondContact O-N 2.98Å
76E94.1Very high91.9Very high133 Ų13385.9 Ų85.962%0.62148%0.479SS*.Hα-helixtrans-59.9-47.3175.7-68.8175.4177.300111.7D72 A78 A79 I80D72-E76 PolarHBondContact O-N 3.49Å; E76-A78 VanDerWaalsContact C-N 3.35Å; E76-A78 PolarHBondContact O-N 3.07Å; E76-A79 PolarHBondContact O-N 3.02Å; E76-I80 WeakPolarHBondContact O-CG1 3.41Å; E76-I80 PolarHBondContact O-N 3.4Å; E76-I80 VanDerWaalsContact O-N 3.12Å
77S93Very high92.1Very high55 Ų5582 Ų8239%0.38547%0.467SS..Hα-helixtrans-62.3-43178.7-55.70000111.5K73 G74 I80 I81K73-S77 WeakPolarHBondContact O-CB 3.49Å; K73-S77 PolarHBondContact O-N 3.09Å; K73-S77 PolarHBondContact O-OG 2.7Å; G74-S77 PolarHBondContact O-N 2.83Å; S77-I80 PolarHBondContact O-N 2.94Å; S77-I81 WeakPolarHBondContact O-CG1 3.42Å; S77-I81 PolarHBondContact O-N 3.13Å; S77-I81 VanDerWaalsContact O-N 3.07Å
78A92Very high92.3Very high24 Ų2474.9 Ų74.920%0.19843%0.43CS..Hα-helixtrans-62.5-44176.300000111.3G74 G75 E76 I80 I81 Y82G74-A78 VanDerWaalsContact O-CB 3.28Å; G74-A78 WeakPolarHBondContact O-CB 3.22Å; G74-A78 PolarHBondContact O-N 2.85Å; G75-A78 PolarHBondContact O-N 2.81Å; E76-A78 VanDerWaalsContact C-N 3.35Å; E76-A78 PolarHBondContact O-N 3.07Å; A78-I80 VanDerWaalsContact C-N 3.32Å; A78-I80 PolarHBondContact O-N 3.02Å; A78-I81 PolarHBondContact O-N 2.94Å; A78-Y82 HydrophobicContact CB-CD2 4.16Å; A78-Y82 HydrophobicContact CB-CE2 4.15Å; A78-Y82 WeakPolarHBondContact O-CB 3.43Å; A78-Y82 WeakPolarHBondContact O-CD2 3.18Å; A78-Y82 PolarHBondContact O-N 3.28Å
79A93.1Very high92.7Very high55 Ų5574.3 Ų74.346%0.45543%0.427SS..Hα-helixtrans-59.1-42.1178.400000112.3G75 E76 S83G75-A79 WeakPolarHBondContact O-CB 3.36Å; G75-A79 PolarHBondContact O-N 2.98Å; E76-A79 PolarHBondContact O-N 3.02Å; A79-S83 WeakPolarHBondContact O-CB 3.49Å; A79-S83 PolarHBondContact O-N 3.23Å; A79-S83 PolarHBondContact O-OG 3.17Å
80I94.7Very high93.1Very high108 Ų10876.1 Ų76.155%0.55444%0.437SS*.Hα-helixtrans-60.8-51.8174.2-65.7166.5000110.4E76 S77 A78 S83 L84E76-I80 WeakPolarHBondContact O-CG1 3.41Å; E76-I80 PolarHBondContact O-N 3.4Å; E76-I80 VanDerWaalsContact O-N 3.12Å; S77-I80 PolarHBondContact O-N 2.94Å; A78-I80 VanDerWaalsContact C-N 3.32Å; A78-I80 PolarHBondContact O-N 3.02Å; I80-S83 PolarHBondContact O-N 3.38Å; I80-L84 HydrophobicContact CG2-CD1 4.14Å; I80-L84 WeakPolarHBondContact O-CG 3.49Å; I80-L84 PolarHBondContact O-N 3.35Å; I80-L84 VanDerWaalsContact O-N 3.08Å
81I93.6Very high93.6Very high93 Ų9376.3 Ų76.348%0.47742%0.423SS..Hα-helixtrans-60.9-51-178.2-67166.4000110.8S77 A78 S83 L84 L85S77-I81 WeakPolarHBondContact O-CG1 3.42Å; S77-I81 PolarHBondContact O-N 3.13Å; S77-I81 VanDerWaalsContact O-N 3.07Å; A78-I81 PolarHBondContact O-N 2.94Å; I81-S83 VanDerWaalsContact C-N 3.25Å; I81-S83 PolarHBondContact O-N 2.99Å; I81-L84 PolarHBondContact O-N 2.9Å; I81-L84 VanDerWaalsContact O-N 3.16Å; I81-L85 HydrophobicContact CG2-CD1 3.77Å; I81-L85 HydrophobicContact CG2-CG 4.13Å; I81-L85 VanDerWaalsContact O-CG 3.3Å; I81-L85 WeakPolarHBondContact O-CG 3.46Å; I81-L85 PolarHBondContact O-N 3.26Å
82Y93.2Very high93.7Very high36 Ų3681.8 Ų81.814%0.14144%0.441CS..Hα-helixtrans-57.9-39.1178.4-81-66.8000112.1V59 Y66 A78 L85 V86V59-Y82 HydrophobicContact CB-CE2 4.45Å; V59-Y82 HydrophobicContact CG1-CE2 4.41Å; V59-Y82 HydrophobicContact CG2-CD1 4.38Å; V59-Y82 HydrophobicContact CG2-CD2 3.92Å; V59-Y82 HydrophobicContact CG2-CE1 4.36Å; V59-Y82 HydrophobicContact CG2-CE2 3.95Å; V59-Y82 HydrophobicContact CG2-CG 4.17Å; Y66-Y82 PolarHBondContact OH-OH 3.11Å; A78-Y82 HydrophobicContact CB-CD2 4.16Å; A78-Y82 HydrophobicContact CB-CE2 4.15Å; A78-Y82 WeakPolarHBondContact O-CB 3.43Å; A78-Y82 WeakPolarHBondContact O-CD2 3.18Å; A78-Y82 PolarHBondContact O-N 3.28Å; Y82-L85 PolarHBondContact O-N 3.19Å; Y82-V86 WeakPolarHBondContact O-CB 3.3Å; Y82-V86 VanDerWaalsContact O-CG2 3.23Å; Y82-V86 WeakPolarHBondContact O-CG2 3.49Å; Y82-V86 PolarHBondContact O-N 3.06Å
83S94Very high93.8Very high71 Ų7175.9 Ų75.950%0.49741%0.409SS..Hα-helixtrans-63.4-44.5178.1-59.10000111.3A79 I80 I81 T87A79-S83 WeakPolarHBondContact O-CB 3.49Å; A79-S83 PolarHBondContact O-N 3.23Å; A79-S83 PolarHBondContact O-OG 3.17Å; I80-S83 PolarHBondContact O-N 3.38Å; I81-S83 VanDerWaalsContact C-N 3.25Å; I81-S83 PolarHBondContact O-N 2.99Å; S83-T87 WeakPolarHBondContact O-CB 3.48Å; S83-T87 PolarHBondContact O-N 3.13Å; S83-T87 PolarHBondContact O-OG1 3.36Å
84L95.2Very high93.9Very high59 Ų5972.4 Ų72.431%0.30940%0.396SS..Hα-helixtrans-64.1-46.8176.9-67.3171.4000111.8I80 I81 V86 T87 C88 W98I80-L84 HydrophobicContact CG2-CD1 4.14Å; I80-L84 WeakPolarHBondContact O-CG 3.49Å; I80-L84 PolarHBondContact O-N 3.35Å; I80-L84 VanDerWaalsContact O-N 3.08Å; I81-L84 PolarHBondContact O-N 2.9Å; I81-L84 VanDerWaalsContact O-N 3.16Å; L84-V86 PolarHBondContact O-N 3.36Å; L84-T87 WeakPolarHBondContact O-CA 3.11Å; L84-T87 VanDerWaalsContact O-CB 3.31Å; L84-T87 WeakPolarHBondContact O-CB 3.35Å; L84-T87 PolarHBondContact O-N 3.31Å; L84-T87 VanDerWaalsContact O-N 3.1Å; L84-C88 PolarHBondContact O-N 3.41Å; L84-C88 PolarHBondContact O-SG 3.25Å; L84-C88 VanDerWaalsContact O-SG 3.37Å; L84-W98 HydrophobicContact CB-CH2 4.05Å; L84-W98 HydrophobicContact CB-CZ3 4.01Å; L84-W98 HydrophobicContact CD1-CH2 4.14Å; L84-W98 HydrophobicContact CD2-CH2 3.94Å; L84-W98 HydrophobicContact CG-CH2 4.26Å
85L94.3Very high94.1Very high52 Ų5272.7 Ų72.727%0.27239%0.392SS..Hα-helixtrans-63-40.9178.8-64178.3000112.6I81 Y82 T87 C88 K89 P95 L99I81-L85 HydrophobicContact CG2-CD1 3.77Å; I81-L85 HydrophobicContact CG2-CG 4.13Å; I81-L85 VanDerWaalsContact O-CG 3.3Å; I81-L85 WeakPolarHBondContact O-CG 3.46Å; I81-L85 PolarHBondContact O-N 3.26Å; Y82-L85 PolarHBondContact O-N 3.19Å; L85-T87 VanDerWaalsContact C-N 3.29Å; L85-C88 WeakPolarHBondContact O-CB 3.36Å; L85-C88 PolarHBondContact O-N 3.38Å; L85-K89 PolarHBondContact O-N 2.96Å; L85-K89 VanDerWaalsContact O-N 3.08Å; L85-P95 HydrophobicContact CD2-CB 3.58Å; L85-L99 HydrophobicContact CD2-CD1 3.84Å; L85-L99 HydrophobicContact CD2-CG 4.44Å
86V93.4Very high94.3Very high58 Ų5876.7 Ų76.735%0.35240%0.402SS..Hα-helixtrans-65.5-36.5174.4170.40000110.6Y82 L84 K89 Q90Y82-V86 WeakPolarHBondContact O-CB 3.3Å; Y82-V86 VanDerWaalsContact O-CG2 3.23Å; Y82-V86 WeakPolarHBondContact O-CG2 3.49Å; Y82-V86 PolarHBondContact O-N 3.06Å; L84-V86 PolarHBondContact O-N 3.36Å; V86-K89 PolarHBondContact O-N 3.39Å; V86-Q90 HydrophobicContact CG1-CG 4.36Å; V86-Q90 WeakPolarHBondContact O-CG 3.43Å; V86-Q90 PolarHBondContact O-N 2.75Å
87T94.7Very high94.4Very high33 Ų3374 Ų7420%0.20239%0.392CS..Hα-helixtrans-63.7-43.3175.4-57.10000111.2S83 L84 L85 K89 Q90 N91 P119 W120S83-T87 WeakPolarHBondContact O-CB 3.48Å; S83-T87 PolarHBondContact O-N 3.13Å; S83-T87 PolarHBondContact O-OG1 3.36Å; L84-T87 WeakPolarHBondContact O-CA 3.11Å; L84-T87 VanDerWaalsContact O-CB 3.31Å; L84-T87 WeakPolarHBondContact O-CB 3.35Å; L84-T87 PolarHBondContact O-N 3.31Å; L84-T87 VanDerWaalsContact O-N 3.1Å; L85-T87 VanDerWaalsContact C-N 3.29Å; T87-K89 VanDerWaalsContact C-N 3.34Å; T87-K89 PolarHBondContact O-N 2.88Å; T87-Q90 PolarHBondContact O-N 3.17Å; T87-N91 PolarHBondContact O-N 2.9Å; T87-N91 VanDerWaalsContact O-N 3.15Å; T87-N91 PolarHBondContact O-ND2 3.4Å; T87-P119 HydrophobicContact CG2-CB 4.2Å; T87-P119 HydrophobicContact CG2-CG 3.81Å; T87-W120 HydrophobicContact CG2-CE3 4.01Å; T87-W120 HydrophobicContact CG2-CZ3 3.77Å
88C95.6Very high94.5Very high0 Ų072 Ų720%038%0.376CS..Hα-helixtrans-55-51.2171.8-63.80000110.9L84 L85 Q90 N91 E92 V93 P95 W98 P119L84-C88 PolarHBondContact O-N 3.41Å; L84-C88 PolarHBondContact O-SG 3.25Å; L84-C88 VanDerWaalsContact O-SG 3.37Å; L85-C88 WeakPolarHBondContact O-CB 3.36Å; L85-C88 PolarHBondContact O-N 3.38Å; C88-Q90 VanDerWaalsContact C-N 3.32Å; C88-Q90 PolarHBondContact O-N 3.34Å; C88-N91 CarbonylContact O-C 3.39Å; C88-N91 PolarHBondContact O-N 3.18Å; C88-E92 PolarHBondContact O-N 2.91Å; C88-V93 CarbonylContact C-O 3.6Å; C88-V93 HydrophobicContact CB-CB 4.32Å; C88-V93 HydrophobicContact CB-CG1 4.44Å; C88-V93 PolarHBondContact O-N 3.26Å; C88-P95 HydrophobicContact CB-CB 4.07Å; C88-P95 HydrophobicContact CB-CG 3.88Å; C88-W98 VanDerWaalsContact SG-CD2 3.51Å; C88-P119 HydrophobicContact CB-CB 4.48Å; C88-P119 VanDerWaalsContact SG-CG 3.6Å
89K93.3Very high94.8Very high168 Ų16873.8 Ų73.873%0.7338%0.382SS*.Hα-helixtrans-59-40.6179.4-174.4180179-178.10113L85 V86 T87 N91 E92L85-K89 PolarHBondContact O-N 2.96Å; L85-K89 VanDerWaalsContact O-N 3.08Å; V86-K89 PolarHBondContact O-N 3.39Å; T87-K89 VanDerWaalsContact C-N 3.34Å; T87-K89 PolarHBondContact O-N 2.88Å; K89-N91 PolarHBondContact O-N 3.39Å; K89-E92 PolarHBondContact O-N 2.98Å
90Q93.3Very high94.9Very high149 Ų14976.9 Ų76.970%0.69638%0.382SS*.Hα-helixtrans-67.8-24.1178.1-76.5-174.9-41.600113.4V86 T87 C88V86-Q90 HydrophobicContact CG1-CG 4.36Å; V86-Q90 WeakPolarHBondContact O-CG 3.43Å; V86-Q90 PolarHBondContact O-N 2.75Å; T87-Q90 PolarHBondContact O-N 3.17Å; C88-Q90 VanDerWaalsContact C-N 3.32Å; C88-Q90 PolarHBondContact O-N 3.34Å
91N94.8Very high94.8Very high65 Ų6574.4 Ų74.435%0.34837%0.368SS..THydrogen-bonded Turntrans-99.213.3177.3-70.4-81.9000112.7T87 C88 K89 V93 W120T87-N91 PolarHBondContact O-N 2.9Å; T87-N91 VanDerWaalsContact O-N 3.15Å; T87-N91 PolarHBondContact O-ND2 3.4Å; C88-N91 CarbonylContact O-C 3.39Å; C88-N91 PolarHBondContact O-N 3.18Å; K89-N91 PolarHBondContact O-N 3.39Å; N91-V93 HydrophobicContact CB-CG2 4.26Å; N91-V93 PolarHBondContact O-N 3.05Å; N91-W120 WeakPolarHBondContact OD1-CB 3.45Å
92E95.1Very high94.9Very high193 Ų19371 Ų7190%0.90235%0.351SS*.THydrogen-bonded Turntrans57.627.3-177.8-55.1-177.8176.300113.7C88 K89C88-E92 PolarHBondContact O-N 2.91Å; K89-E92 PolarHBondContact O-N 2.98Å
93V95.7Very high95Very high18 Ų1875 Ų7511%0.10937%0.374CS..  trans-98132.2177.8172.80000109.8C88 N91 P95 W98 P119 F122C88-V93 CarbonylContact C-O 3.6Å; C88-V93 HydrophobicContact CB-CB 4.32Å; C88-V93 HydrophobicContact CB-CG1 4.44Å; C88-V93 PolarHBondContact O-N 3.26Å; N91-V93 HydrophobicContact CB-CG2 4.26Å; N91-V93 PolarHBondContact O-N 3.05Å; V93-P95 VanDerWaalsContact O-CD 3.31Å; V93-P95 WeakPolarHBondContact O-CD 3.32Å; V93-W98 HydrophobicContact CG1-CB 3.73Å; V93-W98 HydrophobicContact CG1-CG 4.33Å; V93-P119 WeakPolarHBondContact CG2-O 3.47Å; V93-F122 HydrophobicContact CG1-CB 4.24Å; V93-F122 HydrophobicContact CG1-CD1 3.55Å; V93-F122 HydrophobicContact CG1-CE1 4.15Å; V93-F122 HydrophobicContact CG1-CG 4.08Å; V93-F122 HydrophobicContact CG2-CB 4.19Å; V93-F122 HydrophobicContact CG2-CD1 4.3Å
94E95.9Very high95.1Very high87 Ų8778 Ų7841%0.40738%0.38SS..  trans-66.5119.3173.5-158.7-65.3123.300109.1E96 D97 W98E94-E96 VanDerWaalsContact CD-N 3.31Å; E94-E96 PolarHBondContact O-N 3.2Å; E94-E96 PolarHBondContact OE1-N 3.04Å; E94-E96 VanDerWaalsContact OE1-N 3.16Å; E94-E96 VanDerWaalsContact OE2-CA 3.23Å; E94-E96 WeakPolarHBondContact OE2-CA 3.45Å; E94-E96 WeakPolarHBondContact OE2-CB 3.26Å; E94-E96 PolarHBondContact OE2-N 3.39Å; E94-D97 HydrophobicContact CB-CB 4.38Å; E94-D97 PolarHBondContact OE2-N 3.16Å; E94-W98 PolarHBondContact O-N 3.34Å
95P95.6Very high95.1Very high37 Ų3778.7 Ų78.724%0.2438%0.38CS..Hα-helixtrans-66.3-31.4-171.6-22.732.5000115.7L85 C88 V93 L99L85-P95 HydrophobicContact CD2-CB 3.58Å; C88-P95 HydrophobicContact CB-CB 4.07Å; C88-P95 HydrophobicContact CB-CG 3.88Å; V93-P95 VanDerWaalsContact O-CD 3.31Å; V93-P95 WeakPolarHBondContact O-CD 3.32Å; P95-L99 VanDerWaalsContact O-CB 3.3Å; P95-L99 WeakPolarHBondContact O-CB 3.41Å; P95-L99 VanDerWaalsContact O-CG 3.22Å; P95-L99 WeakPolarHBondContact O-CG 3.45Å; P95-L99 PolarHBondContact O-N 3.28Å
96E95.8Very high95.1Very high116 Ų11680.3 Ų80.354%0.54239%0.389SS..Hα-helixtrans-67.6-45.8177.8-175-174.2156.700111.6E94 W98 L99 R100E94-E96 VanDerWaalsContact CD-N 3.31Å; E94-E96 PolarHBondContact O-N 3.2Å; E94-E96 PolarHBondContact OE1-N 3.04Å; E94-E96 VanDerWaalsContact OE1-N 3.16Å; E94-E96 VanDerWaalsContact OE2-CA 3.23Å; E94-E96 WeakPolarHBondContact OE2-CA 3.45Å; E94-E96 WeakPolarHBondContact OE2-CB 3.26Å; E94-E96 PolarHBondContact OE2-N 3.39Å; E96-W98 PolarHBondContact O-N 3.49Å; E96-L99 PolarHBondContact O-N 3.22Å; E96-R100 WeakPolarHBondContact O-CB 3.48Å; E96-R100 PolarHBondContact O-N 3.19Å; E96-R100 IonicContact OE1-NH2 2.75Å; E96-R100 PolarHBondContact OE1-NH2 3.47Å
97D95.4Very high95.1Very high78 Ų7884.5 Ų84.542%0.41741%0.409SS..Hα-helixtrans-59.9-46.3177-73.2-22.7000110.8E94 R100 E101 F122E94-D97 HydrophobicContact CB-CB 4.38Å; E94-D97 PolarHBondContact OE2-N 3.16Å; D97-R100 PolarHBondContact O-N 3.44Å; D97-E101 PolarHBondContact O-N 2.9Å; D97-E101 VanDerWaalsContact O-N 3.07Å; D97-F122 HydrophobicContact CB-CE1 4.31Å; D97-F122 HydrophobicContact CB-CZ 4.18Å
98W96.7Very high95.2Very high11 Ų1189.4 Ų89.44%0.04243%0.434CS..Hα-helixtrans-62.2-47.7175.5177.476.8000111.8L84 C88 V93 E94 E96 R100 E101 V102 L117 P119 F122L84-W98 HydrophobicContact CB-CH2 4.05Å; L84-W98 HydrophobicContact CB-CZ3 4.01Å; L84-W98 HydrophobicContact CD1-CH2 4.14Å; L84-W98 HydrophobicContact CD2-CH2 3.94Å; L84-W98 HydrophobicContact CG-CH2 4.26Å; C88-W98 VanDerWaalsContact SG-CD2 3.51Å; V93-W98 HydrophobicContact CG1-CB 3.73Å; V93-W98 HydrophobicContact CG1-CG 4.33Å; E94-W98 PolarHBondContact O-N 3.34Å; E96-W98 PolarHBondContact O-N 3.49Å; W98-R100 VanDerWaalsContact C-N 3.32Å; W98-R100 PolarHBondContact O-N 3.22Å; W98-E101 PolarHBondContact O-N 2.82Å; W98-V102 HydrophobicContact CD2-CG2 4.05Å; W98-V102 HydrophobicContact CG-CG2 4.38Å; W98-V102 HydrophobicContact CH2-CG2 4.46Å; W98-V102 HydrophobicContact CZ2-CG2 3.78Å; W98-V102 WeakPolarHBondContact O-CB 3.45Å; W98-V102 VanDerWaalsContact O-CG2 3.27Å; W98-V102 WeakPolarHBondContact O-CG2 3.44Å; W98-V102 PolarHBondContact O-N 3.17Å; W98-L117 PolarHBondContact NE1-O 2.73Å; W98-P119 HydrophobicContact CD2-CG 4.14Å; W98-P119 HydrophobicContact CH2-CG 4.47Å; W98-P119 HydrophobicContact CZ2-CG 3.85Å; W98-F122 HydrophobicContact CB-CD2 4.46Å; W98-F122 HydrophobicContact CB-CE2 4.42Å; W98-F122 AromaticContact CD1-CD2 3.69Å; W98-F122 AromaticContact CD1-CG 3.94Å; W98-F122 HydrophobicContact CG-CD2 4.48Å
99L96.4Very high95.2Very high63 Ų6393 Ų9333%0.3345%0.448SS..Hα-helixtrans-59.8-43.3178.2-81.8174.1000112L85 P95 E96 V102 I103L85-L99 HydrophobicContact CD2-CD1 3.84Å; L85-L99 HydrophobicContact CD2-CG 4.44Å; P95-L99 VanDerWaalsContact O-CB 3.3Å; P95-L99 WeakPolarHBondContact O-CB 3.41Å; P95-L99 VanDerWaalsContact O-CG 3.22Å; P95-L99 WeakPolarHBondContact O-CG 3.45Å; P95-L99 PolarHBondContact O-N 3.28Å; E96-L99 PolarHBondContact O-N 3.22Å; L99-V102 PolarHBondContact O-N 3.29Å; L99-I103 VanDerWaalsContact O-CB 3.31Å; L99-I103 WeakPolarHBondContact O-CB 3.33Å; L99-I103 WeakPolarHBondContact O-CD1 3.16Å; L99-I103 WeakPolarHBondContact O-CG1 3.16Å; L99-I103 PolarHBondContact O-N 3.39Å
100R95.7Very high95.4Very high120 Ų12087.8 Ų87.845%0.45343%0.431SS..Hα-helixtrans-58.3-52.9178.4-178.1-173.3-50.2-70.8-5.2110.7E96 D97 W98 V102 I103 E104E96-R100 WeakPolarHBondContact O-CB 3.48Å; E96-R100 PolarHBondContact O-N 3.19Å; E96-R100 IonicContact OE1-NH2 2.75Å; E96-R100 PolarHBondContact OE1-NH2 3.47Å; D97-R100 PolarHBondContact O-N 3.44Å; W98-R100 VanDerWaalsContact C-N 3.32Å; W98-R100 PolarHBondContact O-N 3.22Å; R100-V102 PolarHBondContact O-N 3.12Å; R100-I103 PolarHBondContact O-N 3.34Å; R100-E104 WeakPolarHBondContact CG-OE1 3.19Å; R100-E104 WeakPolarHBondContact O-CB 3.47Å; R100-E104 VanDerWaalsContact O-CG 3.3Å; R100-E104 WeakPolarHBondContact O-CG 3.31Å; R100-E104 PolarHBondContact O-N 2.87Å
101E93.8Very high95.4Very high56 Ų5686.1 Ų86.126%0.26244%0.436SS..Hα-helixtrans-62.9-42.9-178.8-175.9173.6133.200111.9D97 W98 E104 K105 F122D97-E101 PolarHBondContact O-N 2.9Å; D97-E101 VanDerWaalsContact O-N 3.07Å; W98-E101 PolarHBondContact O-N 2.82Å; E101-E104 PolarHBondContact O-N 3.2Å; E101-K105 HydrophobicContact CG-CD 3.77Å; E101-K105 VanDerWaalsContact CG-CE 3.49Å; E101-K105 WeakPolarHBondContact O-CB 3.45Å; E101-K105 WeakPolarHBondContact O-CG 3.49Å; E101-K105 PolarHBondContact O-N 3.42Å; E101-K105 IonicContact OE1-NZ 2.75Å; E101-K105 PolarHBondContact OE1-NZ 2.81Å; E101-K105 IonicContact OE2-NZ 3.38Å; E101-F122 HydrophobicContact CB-CE2 3.69Å; E101-F122 HydrophobicContact CB-CZ 4.38Å; E101-F122 HydrophobicContact CG-CE2 4.02Å; E101-F122 WeakPolarHBondContact OE2-CE2 3.33Å
102V95.3Very high95.5Very high20 Ų2088.9 Ų88.912%0.12145%0.451CS..Hα-helixtrans-62.7-48.1177.7171.70000110.4W98 L99 R100 E104 K105 L106 L117W98-V102 HydrophobicContact CD2-CG2 4.05Å; W98-V102 HydrophobicContact CG-CG2 4.38Å; W98-V102 HydrophobicContact CH2-CG2 4.46Å; W98-V102 HydrophobicContact CZ2-CG2 3.78Å; W98-V102 WeakPolarHBondContact O-CB 3.45Å; W98-V102 VanDerWaalsContact O-CG2 3.27Å; W98-V102 WeakPolarHBondContact O-CG2 3.44Å; W98-V102 PolarHBondContact O-N 3.17Å; L99-V102 PolarHBondContact O-N 3.29Å; R100-V102 PolarHBondContact O-N 3.12Å; V102-E104 VanDerWaalsContact C-N 3.29Å; V102-E104 PolarHBondContact O-N 3.15Å; V102-K105 PolarHBondContact O-N 3.04Å; V102-L106 WeakPolarHBondContact O-CA 3.24Å; V102-L106 WeakPolarHBondContact O-CB 3.36Å; V102-L106 PolarHBondContact O-N 2.9Å; V102-L117 HydrophobicContact CG1-CD1 4.49Å; V102-L117 HydrophobicContact CG2-CB 4.15Å
103I95.3Very high95.5Very high121 Ų12183.1 Ų83.162%0.62142%0.424SS*.Hα-helixtrans-61-40-179.8-70.8165.5000111.2L99 R100L99-I103 VanDerWaalsContact O-CB 3.31Å; L99-I103 WeakPolarHBondContact O-CB 3.33Å; L99-I103 WeakPolarHBondContact O-CD1 3.16Å; L99-I103 WeakPolarHBondContact O-CG1 3.16Å; L99-I103 PolarHBondContact O-N 3.39Å; R100-I103 PolarHBondContact O-N 3.34Å
104E95.2Very high95.5Very high134 Ų13485.1 Ų85.163%0.62644%0.436SS*.Hα-helixtrans-65.3-38.5177.4-74.9174-172.800112.6R100 E101 V102R100-E104 WeakPolarHBondContact CG-OE1 3.19Å; R100-E104 WeakPolarHBondContact O-CB 3.47Å; R100-E104 VanDerWaalsContact O-CG 3.3Å; R100-E104 WeakPolarHBondContact O-CG 3.31Å; R100-E104 PolarHBondContact O-N 2.87Å; E101-E104 PolarHBondContact O-N 3.2Å; V102-E104 VanDerWaalsContact C-N 3.29Å; V102-E104 PolarHBondContact O-N 3.15Å
105K95.4Very high95.5Very high73 Ų7386.1 Ų86.132%0.31744%0.441SS..Hα-helixtrans-88-30.3-175.8-71.2176.2-179.2-178.80114E101 V102 N107 D108 W109 L117E101-K105 HydrophobicContact CG-CD 3.77Å; E101-K105 VanDerWaalsContact CG-CE 3.49Å; E101-K105 WeakPolarHBondContact O-CB 3.45Å; E101-K105 WeakPolarHBondContact O-CG 3.49Å; E101-K105 PolarHBondContact O-N 3.42Å; E101-K105 IonicContact OE1-NZ 2.75Å; E101-K105 PolarHBondContact OE1-NZ 2.81Å; E101-K105 IonicContact OE2-NZ 3.38Å; V102-K105 PolarHBondContact O-N 3.04Å; K105-N107 VanDerWaalsContact C-N 3.29Å; K105-N107 PolarHBondContact O-N 3.08Å; K105-N107 VanDerWaalsContact O-N 3.16Å; K105-D108 PolarHBondContact O-N 2.77Å; K105-D108 VanDerWaalsContact O-N 3.12Å; K105-W109 HydrophobicContact CB-CE3 3.74Å; K105-W109 HydrophobicContact CB-CZ3 4.07Å; K105-W109 HydrophobicContact CD-CE3 4.21Å; K105-W109 HydrophobicContact CD-CH2 4.29Å; K105-W109 HydrophobicContact CD-CZ3 3.66Å; K105-W109 HydrophobicContact CG-CE3 4.24Å; K105-W109 HydrophobicContact CG-CZ3 4.06Å; K105-W109 WeakPolarHBondContact O-CB 3.43Å; K105-W109 PolarHBondContact O-N 3.01Å; K105-W109 VanDerWaalsContact O-N 3.1Å; K105-L117 HydrophobicContact CB-CD2 4.26Å; K105-L117 HydrophobicContact CD-CD2 4.06Å
106L94.6Very high95.4Very high86 Ų8688.1 Ų88.145%0.4545%0.447SS..Hα-helixtrans-58.5-37.1-162.9-175.665.9000113.7V102 D108 W109 V114 L117V102-L106 WeakPolarHBondContact O-CA 3.24Å; V102-L106 WeakPolarHBondContact O-CB 3.36Å; V102-L106 PolarHBondContact O-N 2.9Å; L106-D108 VanDerWaalsContact C-N 3.3Å; L106-D108 PolarHBondContact O-N 3.29Å; L106-W109 PolarHBondContact O-N 2.87Å; L106-V114 HydrophobicContact CD1-CG1 4.49Å; L106-L117 HydrophobicContact CD1-CD1 4.15Å
107N94.3Very high95.4Very high146 Ų14683.3 Ų83.378%0.78143%0.425SS*.THydrogen-bonded Turntrans-66.5-32.6-177-174.470.6000113K105K105-N107 VanDerWaalsContact C-N 3.29Å; K105-N107 PolarHBondContact O-N 3.08Å; K105-N107 VanDerWaalsContact O-N 3.16Å
108D95.9Very high95.5Very high136 Ų13681.9 Ų81.973%0.72742%0.417SS*.THydrogen-bonded Turntrans-101.5-2.7-177.2-58.1-29.8000112K105 L106K105-D108 PolarHBondContact O-N 2.77Å; K105-D108 VanDerWaalsContact O-N 3.12Å; L106-D108 VanDerWaalsContact C-N 3.3Å; L106-D108 PolarHBondContact O-N 3.29Å
109W95.4Very high95.4Very high75 Ų7581.4 Ų81.428%0.28442%0.415SS..SBendtrans-81.2137.7-176.8-146.8-94000112.2K105 L106 S111 Q113 E116 L117K105-W109 HydrophobicContact CB-CE3 3.74Å; K105-W109 HydrophobicContact CB-CZ3 4.07Å; K105-W109 HydrophobicContact CD-CE3 4.21Å; K105-W109 HydrophobicContact CD-CH2 4.29Å; K105-W109 HydrophobicContact CD-CZ3 3.66Å; K105-W109 HydrophobicContact CG-CE3 4.24Å; K105-W109 HydrophobicContact CG-CZ3 4.06Å; K105-W109 WeakPolarHBondContact O-CB 3.43Å; K105-W109 PolarHBondContact O-N 3.01Å; K105-W109 VanDerWaalsContact O-N 3.1Å; L106-W109 PolarHBondContact O-N 2.87Å; W109-S111 PolarHBondContact O-N 3.42Å; W109-Q113 PolarHBondContact NE1-O 3.16Å; W109-Q113 VanDerWaalsContact NE1-O 3.17Å; W109-E116 HydrophobicContact CZ2-CB 4.38Å; W109-L117 HydrophobicContact CB-CD1 4.15Å; W109-L117 HydrophobicContact CD2-CD1 4.09Å; W109-L117 HydrophobicContact CD2-CD2 3.89Å; W109-L117 HydrophobicContact CD2-CG 4.12Å; W109-L117 HydrophobicContact CE3-CD2 4.13Å; W109-L117 HydrophobicContact CG-CD1 3.81Å; W109-L117 HydrophobicContact CG-CD2 4.47Å; W109-L117 HydrophobicContact CG-CG 4.21Å; W109-L117 HydrophobicContact CH2-CD2 4.11Å; W109-L117 HydrophobicContact CZ2-CD2 3.89Å; W109-L117 HydrophobicContact CZ2-CG 4.47Å; W109-L117 HydrophobicContact CZ3-CD2 4.24Å
110P96.9Very high95.3Very high59 Ų5985.2 Ų85.238%0.38343%0.425SS..  trans-61.4130.1174.9-24.436.2000111.9N112 Q113 V114P110-N112 VanDerWaalsContact CB-OD1 3.3Å; P110-N112 WeakPolarHBondContact CB-OD1 3.26Å; P110-N112 PolarHBondContact O-N 3.09Å; P110-Q113 HydrophobicContact CB-CB 4.21Å; P110-Q113 HydrophobicContact CB-CG 4.33Å; P110-Q113 CarbonylContact O-C 3.47Å; P110-Q113 WeakPolarHBondContact O-CA 3.2Å; P110-Q113 PolarHBondContact O-N 2.7Å; P110-V114 PolarHBondContact O-N 3.23Å
111S94.4Very high95.3Very high114 Ų11483.6 Ų83.680%0.79743%0.426SS*.G310 helixtrans-63-25.9-175.362.50000113.8W109 Q113W109-S111 PolarHBondContact O-N 3.42Å; S111-Q113 VanDerWaalsContact C-N 3.27Å; S111-Q113 PolarHBondContact O-N 2.93Å
112N96.7Very high95.1Very high123 Ų12382.6 Ų82.666%0.65842%0.42SS*.G310 helixtrans-79.5-6.6173.963.6-25.2000113.6P110 H115P110-N112 VanDerWaalsContact CB-OD1 3.3Å; P110-N112 WeakPolarHBondContact CB-OD1 3.26Å; P110-N112 PolarHBondContact O-N 3.09Å; N112-H115 PolarHBondContact O-ND1 3.43Å
113Q96Very high94.4Very high73 Ų7386.2 Ų86.234%0.34145%0.446SS..G310 helixtrans-116.79.2-179.1-68.7-179.3-30.300113.3W109 P110 S111 H115 E116W109-Q113 PolarHBondContact NE1-O 3.16Å; W109-Q113 VanDerWaalsContact NE1-O 3.17Å; P110-Q113 HydrophobicContact CB-CB 4.21Å; P110-Q113 HydrophobicContact CB-CG 4.33Å; P110-Q113 CarbonylContact O-C 3.47Å; P110-Q113 WeakPolarHBondContact O-CA 3.2Å; P110-Q113 PolarHBondContact O-N 2.7Å; S111-Q113 VanDerWaalsContact C-N 3.27Å; S111-Q113 PolarHBondContact O-N 2.93Å; Q113-H115 PolarHBondContact O-N 3.31Å; Q113-E116 HydrophobicContact CB-CG 4.42Å; Q113-E116 VanDerWaalsContact O-CB 3.27Å; Q113-E116 WeakPolarHBondContact O-CB 3.3Å; Q113-E116 WeakPolarHBondContact O-CG 3.12Å; Q113-E116 PolarHBondContact O-N 2.93Å
114V95.1Very high92.9Very high60 Ų6084 Ų8436%0.36444%0.442SS..G310 helixtrans-57.5-26.4178.9177.40000112.8L106 P110 E116 L117L106-V114 HydrophobicContact CD1-CG1 4.49Å; P110-V114 PolarHBondContact O-N 3.23Å; V114-E116 PolarHBondContact O-N 3.42Å; V114-L117 WeakPolarHBondContact O-CB 3.5Å; V114-L117 PolarHBondContact O-N 3.37Å
115H94.4Very high91.2Very high107 Ų10784.3 Ų84.350%0.49545%0.453SS..G310 helixtrans-61.1-23.1175.168.6-83.3000113.3N112 Q113 L117 L118 N121N112-H115 PolarHBondContact O-ND1 3.43Å; Q113-H115 PolarHBondContact O-N 3.31Å; H115-L117 PolarHBondContact O-N 3.32Å; H115-L118 HydrophobicContact CB-CD1 3.92Å; H115-L118 WeakPolarHBondContact O-CB 3.45Å; H115-L118 VanDerWaalsContact O-CD1 3.32Å; H115-L118 WeakPolarHBondContact O-CD1 3.43Å; H115-L118 VanDerWaalsContact O-CG 3.25Å; H115-L118 WeakPolarHBondContact O-CG 3.41Å; H115-L118 PolarHBondContact O-N 3.11Å; H115-N121 PolarHBondContact O-ND2 3.33Å
116E95.4Very high89Confident79 Ų7993.2 Ų93.237%0.36949%0.491SS..G310 helixtrans-68.9-22.4174.5-61.1177.8-16500111.9W109 Q113 V114 L118 N121W109-E116 HydrophobicContact CZ2-CB 4.38Å; Q113-E116 HydrophobicContact CB-CG 4.42Å; Q113-E116 VanDerWaalsContact O-CB 3.27Å; Q113-E116 WeakPolarHBondContact O-CB 3.3Å; Q113-E116 WeakPolarHBondContact O-CG 3.12Å; Q113-E116 PolarHBondContact O-N 2.93Å; V114-E116 PolarHBondContact O-N 3.42Å; E116-L118 VanDerWaalsContact C-N 3.29Å; E116-L118 PolarHBondContact O-N 3.47Å; E116-N121 WeakPolarHBondContact CA-ND2 3.3Å; E116-N121 VanDerWaalsContact O-CB 3.26Å; E116-N121 WeakPolarHBondContact O-CB 3.37Å; E116-N121 PolarHBondContact O-ND2 3.15Å
117L95.6Very high88.8Confident15 Ų1593.6 Ų93.68%0.07949%0.493CS..G310 helixtrans-84.32.5176.5-61.2178.4000113.4W98 V102 K105 L106 W109 V114 H115W98-L117 PolarHBondContact NE1-O 2.73Å; V102-L117 HydrophobicContact CG1-CD1 4.49Å; V102-L117 HydrophobicContact CG2-CB 4.15Å; K105-L117 HydrophobicContact CB-CD2 4.26Å; K105-L117 HydrophobicContact CD-CD2 4.06Å; L106-L117 HydrophobicContact CD1-CD1 4.15Å; W109-L117 HydrophobicContact CB-CD1 4.15Å; W109-L117 HydrophobicContact CD2-CD1 4.09Å; W109-L117 HydrophobicContact CD2-CD2 3.89Å; W109-L117 HydrophobicContact CD2-CG 4.12Å; W109-L117 HydrophobicContact CE3-CD2 4.13Å; W109-L117 HydrophobicContact CG-CD1 3.81Å; W109-L117 HydrophobicContact CG-CD2 4.47Å; W109-L117 HydrophobicContact CG-CG 4.21Å; W109-L117 HydrophobicContact CH2-CD2 4.11Å; W109-L117 HydrophobicContact CZ2-CD2 3.89Å; W109-L117 HydrophobicContact CZ2-CG 4.47Å; W109-L117 HydrophobicContact CZ3-CD2 4.24Å; V114-L117 WeakPolarHBondContact O-CB 3.5Å; V114-L117 PolarHBondContact O-N 3.37Å; H115-L117 PolarHBondContact O-N 3.32Å
118L96Very high88.5Confident49 Ų4990.8 Ų90.826%0.25748%0.478SS..SBendtrans-69.7152.7-178.7-68.4168.2000112.2H115 E116 W120 N121H115-L118 HydrophobicContact CB-CD1 3.92Å; H115-L118 WeakPolarHBondContact O-CB 3.45Å; H115-L118 VanDerWaalsContact O-CD1 3.32Å; H115-L118 WeakPolarHBondContact O-CD1 3.43Å; H115-L118 VanDerWaalsContact O-CG 3.25Å; H115-L118 WeakPolarHBondContact O-CG 3.41Å; H115-L118 PolarHBondContact O-N 3.11Å; E116-L118 VanDerWaalsContact C-N 3.29Å; E116-L118 PolarHBondContact O-N 3.47Å; L118-W120 VanDerWaalsContact C-N 3.3Å; L118-W120 HydrophobicContact CB-CD2 4.05Å; L118-W120 HydrophobicContact CB-CE3 4.3Å; L118-W120 HydrophobicContact CB-CH2 3.92Å; L118-W120 HydrophobicContact CB-CZ2 3.63Å; L118-W120 HydrophobicContact CB-CZ3 4.23Å; L118-W120 HydrophobicContact CD1-CH2 3.54Å; L118-W120 HydrophobicContact CD1-CZ2 3.18Å; L118-W120 HydrophobicContact CD2-CH2 4.3Å; L118-W120 HydrophobicContact CG-CH2 4.11Å; L118-W120 HydrophobicContact CG-CZ2 3.94Å; L118-W120 PolarHBondContact O-N 2.98Å; L118-W120 VanDerWaalsContact O-N 3.13Å; L118-N121 PolarHBondContact O-N 3.13Å
119P95.9Very high88.1Confident0 Ų088.3 Ų88.30%046%0.464CS..G310 helixtrans-56.6-35.1-169.7-28.235.5000115.5T87 C88 V93 W98 N121 F122T87-P119 HydrophobicContact CG2-CB 4.2Å; T87-P119 HydrophobicContact CG2-CG 3.81Å; C88-P119 HydrophobicContact CB-CB 4.48Å; C88-P119 VanDerWaalsContact SG-CG 3.6Å; V93-P119 WeakPolarHBondContact CG2-O 3.47Å; W98-P119 HydrophobicContact CD2-CG 4.14Å; W98-P119 HydrophobicContact CH2-CG 4.47Å; W98-P119 HydrophobicContact CZ2-CG 3.85Å; P119-N121 PolarHBondContact O-N 2.9Å; P119-F122 WeakPolarHBondContact O-CB 3.27Å; P119-F122 PolarHBondContact O-N 3.43Å
120W94.7Very high87.6Confident143 Ų14389.1 Ų89.154%0.54248%0.475SS..G310 helixtrans-71.3-12.5179.753.581000114.7T87 N91 L118T87-W120 HydrophobicContact CG2-CE3 4.01Å; T87-W120 HydrophobicContact CG2-CZ3 3.77Å; N91-W120 WeakPolarHBondContact OD1-CB 3.45Å; L118-W120 VanDerWaalsContact C-N 3.3Å; L118-W120 HydrophobicContact CB-CD2 4.05Å; L118-W120 HydrophobicContact CB-CE3 4.3Å; L118-W120 HydrophobicContact CB-CH2 3.92Å; L118-W120 HydrophobicContact CB-CZ2 3.63Å; L118-W120 HydrophobicContact CB-CZ3 4.23Å; L118-W120 HydrophobicContact CD1-CH2 3.54Å; L118-W120 HydrophobicContact CD1-CZ2 3.18Å; L118-W120 HydrophobicContact CD2-CH2 4.3Å; L118-W120 HydrophobicContact CG-CH2 4.11Å; L118-W120 HydrophobicContact CG-CZ2 3.94Å; L118-W120 PolarHBondContact O-N 2.98Å; L118-W120 VanDerWaalsContact O-N 3.13Å
121N94.7Very high87.1Confident87 Ų8790.9 Ų90.947%0.46548%0.481SS..G310 helixtrans-91.4-5.9171.7-61.9-37.3000112H115 E116 L118 P119H115-N121 PolarHBondContact O-ND2 3.33Å; E116-N121 WeakPolarHBondContact CA-ND2 3.3Å; E116-N121 VanDerWaalsContact O-CB 3.26Å; E116-N121 WeakPolarHBondContact O-CB 3.37Å; E116-N121 PolarHBondContact O-ND2 3.15Å; L118-N121 PolarHBondContact O-N 3.13Å; P119-N121 PolarHBondContact O-N 2.9Å
122F89.5Confident86.6Confident34 Ų3489.4 Ų89.415%0.14946%0.46CS..  trans-77.7127.2-176.8-165.4-99.6000110.4V93 D97 W98 E101 P119V93-F122 HydrophobicContact CG1-CB 4.24Å; V93-F122 HydrophobicContact CG1-CD1 3.55Å; V93-F122 HydrophobicContact CG1-CE1 4.15Å; V93-F122 HydrophobicContact CG1-CG 4.08Å; V93-F122 HydrophobicContact CG2-CB 4.19Å; V93-F122 HydrophobicContact CG2-CD1 4.3Å; D97-F122 HydrophobicContact CB-CE1 4.31Å; D97-F122 HydrophobicContact CB-CZ 4.18Å; W98-F122 HydrophobicContact CB-CD2 4.46Å; W98-F122 HydrophobicContact CB-CE2 4.42Å; W98-F122 AromaticContact CD1-CD2 3.69Å; W98-F122 AromaticContact CD1-CG 3.94Å; W98-F122 HydrophobicContact CG-CD2 4.48Å; E101-F122 HydrophobicContact CB-CE2 3.69Å; E101-F122 HydrophobicContact CB-CZ 4.38Å; E101-F122 HydrophobicContact CG-CE2 4.02Å; E101-F122 WeakPolarHBondContact OE2-CE2 3.33Å; P119-F122 WeakPolarHBondContact O-CB 3.27Å; P119-F122 PolarHBondContact O-N 3.43Å
123S80.3Confident85.8Confident96 Ų9687 Ų8767%0.67145%0.446SS*.  trans-105.9112.9171-166.90000107.6V125S123-V125 PolarHBondContact O-N 3.05Å
124S65Low85.1Confident76 Ų7688.1 Ų88.153%0.53145%0.454SS..  trans-59114.3171.5610000108.4K126S124-K126 PolarHBondContact O-N 2.85Å; S124-K126 VanDerWaalsContact O-N 3.09Å
125V59.7Low84.2Confident140 Ų14090.4 Ų90.485%0.84846%0.461SS*.  trans-63113.3162.8-178.70000105.8S123S123-V125 PolarHBondContact O-N 3.05Å
126K49.6Very low83.3Confident259 Ų25988.9 Ų88.9100%1.12646%0.458SS*.  trans-68.30178.1-72.2-174.8179-179.70112S124S124-K126 PolarHBondContact O-N 2.85Å; S124-K126 VanDerWaalsContact O-N 3.09Å

Retrieved 126 of 126 residues in 60.5 ms (Link to these results)

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