A0A087YHH8_POEFO Loading...

Transmembrane protein 255A

AlphaFold DB , UniProt , Accession A0A087YHH8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 340 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
1M41.9Very low44.6Very low238 Ų238130.9 Ų130.9100%1.17271%0.713SS**  0118.30-85.3174.1165.600108.3
2P43.4Very low44.5Very low124 Ų124135.9 Ų135.981%0.80571%0.714SS**PPolyproline II helixtrans-80.3150.6171.133.9-29.6000109.8
3P43.1Very low45Very low126 Ų126133.3 Ų133.382%0.81870%0.7SS**PPolyproline II helixtrans-80.3142.9178.731.7-29.8000111.2S5P3-S5 PolarHBondContact O-N 3.31Å
4R45.7Very low45.3Very low228 Ų228128.6 Ų128.686%0.8668%0.679SS**PPolyproline II helixtrans-54.3116.6-179.7-83.9171.7167.4155.8-4.7112.6H6R4-H6 VanDerWaalsContact C-N 3.3Å
5S44.5Very low45.7Very low91 Ų91128.6 Ų128.664%0.63668%0.679SS**  trans-82.70.8165.546.90000114P3P3-S5 PolarHBondContact O-N 3.31Å
6H46.9Very low46.1Very low143 Ų143124.3 Ų124.366%0.66266%0.663SS**Hα-helixtrans-85.4-14.8-169.2-69.7-84.4000116.1R4R4-H6 VanDerWaalsContact C-N 3.3Å
7S47.9Very low46.4Very low81 Ų81124.7 Ų124.757%0.56666%0.66SS**Hα-helixtrans-84.3-30.1-176.462.60000114S11S7-S11 PolarHBondContact O-N 3.25Å; S7-S11 PolarHBondContact O-OG 2.61Å
8L46.3Very low46.8Very low127 Ų127123.5 Ų123.567%0.66566%0.658SS**Hα-helixtrans-77.4-29.4-176.4-115.3142.2000113R12L8-R12 WeakPolarHBondContact O-CB 3.45Å; L8-R12 PolarHBondContact O-N 3.37Å
9Q45.2Very low47.2Very low134 Ų134120.5 Ų120.563%0.62665%0.648SS**Hα-helixtrans-78.6-34.5179.1-158.3166.42.800112R12 L13Q9-R12 PolarHBondContact O-N 3.21Å; Q9-L13 HydrophobicContact CG-CD1 4.26Å; Q9-L13 WeakPolarHBondContact O-CB 3.36Å; Q9-L13 WeakPolarHBondContact O-CD1 3.41Å; Q9-L13 WeakPolarHBondContact O-CG 3.3Å; Q9-L13 PolarHBondContact O-N 2.74Å
10S36.9Very low47.6Very low72 Ų72120.6 Ų120.650%0.50365%0.646SS.*Hα-helixtrans-68.8-39.8175.5-173.30000112.1T14S10-T14 WeakPolarHBondContact O-CB 3.46Å; S10-T14 VanDerWaalsContact O-CG2 3.3Å; S10-T14 WeakPolarHBondContact O-CG2 3.39Å; S10-T14 PolarHBondContact O-N 2.97Å; S10-T14 PolarHBondContact O-OG1 3.43Å
11S48.9Very low48.2Very low76 Ų76117 Ų11753%0.53164%0.637SS.*Hα-helixtrans-68.6-33.5174.1-58.40000113.1S7 T14 L15S7-S11 PolarHBondContact O-N 3.25Å; S7-S11 PolarHBondContact O-OG 2.61Å; S11-T14 WeakPolarHBondContact CA-OG1 3.21Å; S11-T14 PolarHBondContact O-OG1 3.09Å; S11-L15 WeakPolarHBondContact O-CB 3.26Å; S11-L15 PolarHBondContact O-N 3.05Å; S11-L15 VanDerWaalsContact O-N 3.09Å
12R43.5Very low49.2Very low191 Ų191107.9 Ų107.972%0.72160%0.597SS**Hα-helixtrans-75.5-34.8177.7-148.4-168.3-82.4-171.5-4.5112.2L8 Q9 S16L8-R12 WeakPolarHBondContact O-CB 3.45Å; L8-R12 PolarHBondContact O-N 3.37Å; Q9-R12 PolarHBondContact O-N 3.21Å; R12-S16 VanDerWaalsContact O-CB 3.26Å; R12-S16 WeakPolarHBondContact O-CB 3.29Å; R12-S16 PolarHBondContact O-N 2.9Å
13L50.6Low50.2Low102 Ų102106.5 Ų106.553%0.53458%0.579SS.*Hα-helixtrans-71.2-43.7174.3-80.1161.3000112.3Q9 S16 E17Q9-L13 HydrophobicContact CG-CD1 4.26Å; Q9-L13 WeakPolarHBondContact O-CB 3.36Å; Q9-L13 WeakPolarHBondContact O-CD1 3.41Å; Q9-L13 WeakPolarHBondContact O-CG 3.3Å; Q9-L13 PolarHBondContact O-N 2.74Å; L13-S16 PolarHBondContact O-N 3.18Å; L13-E17 WeakPolarHBondContact O-CB 3.4Å; L13-E17 PolarHBondContact O-N 2.85Å
14T49.5Very low51.6Low67 Ų67107.4 Ų107.441%0.41157%0.569SS.*Hα-helixtrans-67.5-36.817749.40000112.4S10 S11 T18S10-T14 WeakPolarHBondContact O-CB 3.46Å; S10-T14 VanDerWaalsContact O-CG2 3.3Å; S10-T14 WeakPolarHBondContact O-CG2 3.39Å; S10-T14 PolarHBondContact O-N 2.97Å; S10-T14 PolarHBondContact O-OG1 3.43Å; S11-T14 WeakPolarHBondContact CA-OG1 3.21Å; S11-T14 PolarHBondContact O-OG1 3.09Å; T14-T18 VanDerWaalsContact O-CB 3.29Å; T14-T18 WeakPolarHBondContact O-CB 3.39Å; T14-T18 PolarHBondContact O-N 2.99Å; T14-T18 PolarHBondContact O-OG1 3.27Å
15L52Low53Low129 Ų129104.9 Ų104.968%0.67556%0.56SS**Hα-helixtrans-69.1-37.1173.4-156.1158.9000111.2S11 S19S11-L15 WeakPolarHBondContact O-CB 3.26Å; S11-L15 PolarHBondContact O-N 3.05Å; S11-L15 VanDerWaalsContact O-N 3.09Å; L15-S19 WeakPolarHBondContact O-CB 3Å; L15-S19 PolarHBondContact O-N 2.87Å
16S51Low54.5Low59 Ų59107 Ų10741%0.41355%0.554SS.*Hα-helixtrans-68.5-39.3174-159.50000112.8R12 L13 M20R12-S16 VanDerWaalsContact O-CB 3.26Å; R12-S16 WeakPolarHBondContact O-CB 3.29Å; R12-S16 PolarHBondContact O-N 2.9Å; L13-S16 PolarHBondContact O-N 3.18Å; S16-M20 WeakPolarHBondContact O-CB 3.34Å; S16-M20 WeakPolarHBondContact O-CG 3.45Å; S16-M20 PolarHBondContact O-N 3.03Å
17E51.8Low56Low132 Ų132104 Ų10462%0.61754%0.539SS*.Hα-helixtrans-70.2-40.4175.3-81.6-173.8119.900112.6L13 M20 G21L13-E17 WeakPolarHBondContact O-CB 3.4Å; L13-E17 PolarHBondContact O-N 2.85Å; E17-M20 PolarHBondContact O-N 3.43Å; E17-G21 PolarHBondContact O-N 2.8Å
18T53.7Low57.7Low103 Ų103108.6 Ų108.663%0.63254%0.544SS*.Hα-helixtrans-69.4-37.6176-45.60000110.8T14 S22T14-T18 VanDerWaalsContact O-CB 3.29Å; T14-T18 WeakPolarHBondContact O-CB 3.39Å; T14-T18 PolarHBondContact O-N 2.99Å; T14-T18 PolarHBondContact O-OG1 3.27Å; T18-S22 WeakPolarHBondContact O-CB 3.21Å; T18-S22 PolarHBondContact O-N 2.77Å
19S54.6Low59.6Low66 Ų66108.7 Ų108.746%0.46254%0.539SS..Hα-helixtrans-63.9-48.4171.1173.40000111.7L15 G21 S22 F23L15-S19 WeakPolarHBondContact O-CB 3Å; L15-S19 PolarHBondContact O-N 2.87Å; S19-G21 PolarHBondContact O-N 3.11Å; S19-S22 PolarHBondContact O-N 2.9Å; S19-F23 VanDerWaalsContact O-CB 3.22Å; S19-F23 WeakPolarHBondContact O-CB 3.22Å; S19-F23 PolarHBondContact O-N 3.42Å
20M55.4Low61.5Low123 Ų123102.6 Ų102.661%0.60651%0.511SS*.Hα-helixtrans-61.8-40.5176.8-90.4168.545.700112.2S16 E17 F23 K24S16-M20 WeakPolarHBondContact O-CB 3.34Å; S16-M20 WeakPolarHBondContact O-CG 3.45Å; S16-M20 PolarHBondContact O-N 3.03Å; E17-M20 PolarHBondContact O-N 3.43Å; M20-F23 PolarHBondContact O-N 3.41Å; M20-K24 WeakPolarHBondContact O-CB 3.38Å; M20-K24 PolarHBondContact O-N 3.27Å
21G60.2Low64Low45 Ų45102.1 Ų102.146%0.46450%0.502SS..Hα-helixtrans-64.2-43.417500000112.6E17 S19 R25E17-G21 PolarHBondContact O-N 2.8Å; S19-G21 PolarHBondContact O-N 3.11Å; G21-R25 WeakPolarHBondContact O-CB 3.22Å; G21-R25 PolarHBondContact O-N 3.45Å; G21-R25 VanDerWaalsContact O-N 3.11Å
22S61.8Low66Low47 Ų47102.1 Ų102.133%0.32950%0.499SS..Hα-helixtrans-67.3-41.2175.5-169.70000112.2T18 S19 R25 R26T18-S22 WeakPolarHBondContact O-CB 3.21Å; T18-S22 PolarHBondContact O-N 2.77Å; S19-S22 PolarHBondContact O-N 2.9Å; S22-R25 PolarHBondContact O-N 3.04Å; S22-R26 WeakPolarHBondContact O-CG 3.34Å; S22-R26 PolarHBondContact O-N 3.49Å; S22-R26 PolarHBondContact OG-NH2 2.78Å
23F64.5Low68.3Low95 Ų9594.9 Ų94.942%0.41748%0.476SS..Hα-helixtrans-67.5-43.2179.3-162.1-96.4000111.8S19 M20 R25 R26 K27 F241S19-F23 VanDerWaalsContact O-CB 3.22Å; S19-F23 WeakPolarHBondContact O-CB 3.22Å; S19-F23 PolarHBondContact O-N 3.42Å; M20-F23 PolarHBondContact O-N 3.41Å; F23-R25 VanDerWaalsContact C-N 3.28Å; F23-R25 PolarHBondContact O-N 3.07Å; F23-R26 PolarHBondContact O-N 3.3Å; F23-K27 WeakPolarHBondContact O-CB 3.44Å; F23-K27 PolarHBondContact O-N 3.06Å; F23-F241 HydrophobicContact CZ-CE1 4.5Å
24K72.8Confident70.3Confident144 Ų14490.2 Ų90.263%0.62645%0.452SS*.Hα-helixtrans-64-34.7174.8-160.5171.9-174.8177.40111.4M20 R28M20-K24 WeakPolarHBondContact O-CB 3.38Å; M20-K24 PolarHBondContact O-N 3.27Å; K24-R28 WeakPolarHBondContact O-CG 3.47Å; K24-R28 PolarHBondContact O-N 2.87Å
25R75.6Confident72.4Confident176 Ų17689.6 Ų89.666%0.66445%0.448SS*.Hα-helixtrans-70.2-41.6173.6-166.5175.4-176.8-168.70.6112.5G21 S22 F23 R28 K29G21-R25 WeakPolarHBondContact O-CB 3.22Å; G21-R25 PolarHBondContact O-N 3.45Å; G21-R25 VanDerWaalsContact O-N 3.11Å; S22-R25 PolarHBondContact O-N 3.04Å; F23-R25 VanDerWaalsContact C-N 3.28Å; F23-R25 PolarHBondContact O-N 3.07Å; R25-R28 PolarHBondContact O-N 3.48Å; R25-K29 WeakPolarHBondContact O-CG 3.3Å; R25-K29 PolarHBondContact O-N 3.4Å
26R74.8Confident74.5Confident134 Ų13487.8 Ų87.851%0.50644%0.437SS..Hα-helixtrans-65.5-42.1174.5-71.6176.9-156.4176.21.5112S22 F23 K29 S30 F241S22-R26 WeakPolarHBondContact O-CG 3.34Å; S22-R26 PolarHBondContact O-N 3.49Å; S22-R26 PolarHBondContact OG-NH2 2.78Å; F23-R26 PolarHBondContact O-N 3.3Å; R26-K29 PolarHBondContact O-N 3Å; R26-S30 PolarHBondContact O-N 2.93Å; R26-F241 HydrophobicContact CB-CZ 4.5Å
27K79.2Confident76.6Confident81 Ų8185 Ų8535%0.35242%0.417SS..Hα-helixtrans-61.8-43.6175.7-170.6174.6-177.5175.10111.5F23 S30 I31 A80F23-K27 WeakPolarHBondContact O-CB 3.44Å; F23-K27 PolarHBondContact O-N 3.06Å; K27-S30 WeakPolarHBondContact O-CB 3.18Å; K27-S30 PolarHBondContact O-N 3.27Å; K27-I31 HydrophobicContact CG-CD1 3.97Å; K27-I31 VanDerWaalsContact O-CG1 3.32Å; K27-I31 WeakPolarHBondContact O-CG1 3.49Å; K27-I31 PolarHBondContact O-N 2.86Å; K27-A80 WeakPolarHBondContact CE-O 3.37Å; K27-A80 PolarHBondContact NZ-O 2.83Å; K27-A80 VanDerWaalsContact NZ-O 3.09Å
28R84.3Confident78.7Confident177 Ų17781 Ų8167%0.66840%0.4SS*.Hα-helixtrans-59.5-48.3173.3-81.8-175.4-179.9-172.30.1111.9K24 R25 S30 I31 T32K24-R28 WeakPolarHBondContact O-CG 3.47Å; K24-R28 PolarHBondContact O-N 2.87Å; R25-R28 PolarHBondContact O-N 3.48Å; R28-S30 VanDerWaalsContact C-N 3.32Å; R28-S30 PolarHBondContact O-N 3.26Å; R28-I31 PolarHBondContact O-N 3.49Å; R28-T32 WeakPolarHBondContact O-CB 3.32Å; R28-T32 PolarHBondContact O-N 3.06Å; R28-T32 PolarHBondContact O-OG1 3.21Å
29K84.6Confident80.8Confident130 Ų13079.9 Ų79.957%0.56539%0.389SS*.Hα-helixtrans-58.1-44.1177.8-73.9-176.6175.9-169.70112.1R25 R26 T32 V33R25-K29 WeakPolarHBondContact O-CG 3.3Å; R25-K29 PolarHBondContact O-N 3.4Å; R26-K29 PolarHBondContact O-N 3Å; K29-T32 PolarHBondContact O-N 2.94Å; K29-V33 VanDerWaalsContact O-CG2 3.31Å; K29-V33 WeakPolarHBondContact O-CG2 3.19Å; K29-V33 PolarHBondContact O-N 3.33Å
30S85.6Confident82.8Confident6 Ų677.5 Ų77.54%0.04237%0.372CS..Hα-helixtrans-58.6-50.8175.4-174.50000112.5R26 K27 R28 T32 V33 T34 V237 F241R26-S30 PolarHBondContact O-N 2.93Å; K27-S30 WeakPolarHBondContact O-CB 3.18Å; K27-S30 PolarHBondContact O-N 3.27Å; R28-S30 VanDerWaalsContact C-N 3.32Å; R28-S30 PolarHBondContact O-N 3.26Å; S30-T32 VanDerWaalsContact C-N 3.31Å; S30-T32 PolarHBondContact O-N 3Å; S30-V33 PolarHBondContact O-N 3.29Å; S30-T34 PolarHBondContact O-N 2.92Å; S30-T34 PolarHBondContact O-OG1 3.27Å; S30-T34 VanDerWaalsContact O-OG1 3.06Å; S30-V237 WeakPolarHBondContact OG-CG1 3.48Å; S30-F241 VanDerWaalsContact CB-CE2 3.44Å; S30-F241 WeakPolarHBondContact OG-CE2 3.31Å
31I89.1Confident84.8Confident61 Ų6171.8 Ų71.831%0.31334%0.344SS..Hα-helixtrans-62.3-42.4-179.9-68.4166.8000110.1K27 R28 V33 T34 V35 A80K27-I31 HydrophobicContact CG-CD1 3.97Å; K27-I31 VanDerWaalsContact O-CG1 3.32Å; K27-I31 WeakPolarHBondContact O-CG1 3.49Å; K27-I31 PolarHBondContact O-N 2.86Å; R28-I31 PolarHBondContact O-N 3.49Å; I31-V33 VanDerWaalsContact C-N 3.32Å; I31-V33 PolarHBondContact O-N 3.39Å; I31-T34 PolarHBondContact O-N 3.25Å; I31-V35 HydrophobicContact CG2-CG2 4.23Å; I31-V35 WeakPolarHBondContact O-CB 3.34Å; I31-V35 VanDerWaalsContact O-CG2 3.27Å; I31-V35 WeakPolarHBondContact O-CG2 3.18Å; I31-V35 PolarHBondContact O-N 3.37Å; I31-A80 HydrophobicContact CG1-CB 4.47Å
32T91Very high86.4Confident77 Ų7773.1 Ų73.147%0.47234%0.343SS..Hα-helixtrans-57.4-45.9175.7-57.80000111.1R28 K29 S30 V35 M36R28-T32 WeakPolarHBondContact O-CB 3.32Å; R28-T32 PolarHBondContact O-N 3.06Å; R28-T32 PolarHBondContact O-OG1 3.21Å; K29-T32 PolarHBondContact O-N 2.94Å; S30-T32 VanDerWaalsContact C-N 3.31Å; S30-T32 PolarHBondContact O-N 3Å; T32-V35 PolarHBondContact O-N 2.99Å; T32-M36 HydrophobicContact CG2-CE 4.37Å; T32-M36 VanDerWaalsContact O-CG 3.26Å; T32-M36 WeakPolarHBondContact O-CG 3.39Å; T32-M36 PolarHBondContact O-N 3.09Å
33V92.4Very high88Confident39 Ų3974.2 Ų74.224%0.23635%0.345CS..Hα-helixtrans-63.5-44.5178.6173.40000111.6K29 S30 I31 V35 M36 L37 I233 T234K29-V33 VanDerWaalsContact O-CG2 3.31Å; K29-V33 WeakPolarHBondContact O-CG2 3.19Å; K29-V33 PolarHBondContact O-N 3.33Å; S30-V33 PolarHBondContact O-N 3.29Å; I31-V33 VanDerWaalsContact C-N 3.32Å; I31-V33 PolarHBondContact O-N 3.39Å; V33-V35 VanDerWaalsContact C-N 3.34Å; V33-V35 PolarHBondContact O-N 3.06Å; V33-M36 PolarHBondContact O-N 2.98Å; V33-L37 PolarHBondContact O-N 3.44Å; V33-I233 HydrophobicContact CG1-CG2 4.04Å; V33-T234 WeakPolarHBondContact CG1-OG1 3.25Å
34T92.4Very high89.4Confident4 Ų469.9 Ų69.93%0.02533%0.326CS..Hα-helixtrans-64.4-36.8177.3-46.80000112.4S30 I31 L37 L38 I77 T234S30-T34 PolarHBondContact O-N 2.92Å; S30-T34 PolarHBondContact O-OG1 3.27Å; S30-T34 VanDerWaalsContact O-OG1 3.06Å; I31-T34 PolarHBondContact O-N 3.25Å; T34-L37 PolarHBondContact O-N 3.45Å; T34-L38 PolarHBondContact O-N 3.29Å; T34-I77 HydrophobicContact CG2-CD1 4.5Å; T34-I77 HydrophobicContact CG2-CG1 3.77Å; T34-T234 HydrophobicContact CG2-CG2 4.14Å
35V94.5Very high90.3Very high53 Ų5365.5 Ų65.532%0.32131%0.309SS..Hα-helixtrans-66.7-40.7174.6170.30000111.1I31 T32 V33 L37 L38 I39 I77I31-V35 HydrophobicContact CG2-CG2 4.23Å; I31-V35 WeakPolarHBondContact O-CB 3.34Å; I31-V35 VanDerWaalsContact O-CG2 3.27Å; I31-V35 WeakPolarHBondContact O-CG2 3.18Å; I31-V35 PolarHBondContact O-N 3.37Å; T32-V35 PolarHBondContact O-N 2.99Å; V33-V35 VanDerWaalsContact C-N 3.34Å; V33-V35 PolarHBondContact O-N 3.06Å; V35-L37 VanDerWaalsContact C-N 3.32Å; V35-L37 PolarHBondContact O-N 3.33Å; V35-L38 PolarHBondContact O-N 2.98Å; V35-I39 HydrophobicContact CG1-CD1 4.01Å; V35-I39 WeakPolarHBondContact O-CG1 3.41Å; V35-I39 PolarHBondContact O-N 3.18Å; V35-I77 HydrophobicContact CG2-CD1 4.17Å
36M95.4Very high91.1Very high91 Ų9160.9 Ų60.945%0.44830%0.3SS..Hα-helixtrans-61.8-41.8174.5-67.1-62.2144.400111.4T32 V33 L38 I39 V40 L230T32-M36 HydrophobicContact CG2-CE 4.37Å; T32-M36 VanDerWaalsContact O-CG 3.26Å; T32-M36 WeakPolarHBondContact O-CG 3.39Å; T32-M36 PolarHBondContact O-N 3.09Å; V33-M36 PolarHBondContact O-N 2.98Å; M36-L38 VanDerWaalsContact C-N 3.33Å; M36-L38 PolarHBondContact O-N 3.35Å; M36-I39 PolarHBondContact O-N 3.41Å; M36-I39 HydrophobicContact SD-CD1 4.42Å; M36-V40 WeakPolarHBondContact O-CG2 3.2Å; M36-V40 PolarHBondContact O-N 2.96Å; M36-L230 HydrophobicContact CB-CD1 4.47Å
37L95.7Very high91.7Very high0 Ų057.3 Ų57.30%029%0.289CS..Hα-helixtrans-61-41.1174.9-177.264000112V33 T34 V35 V40 S41 S73 I97 L230 T234V33-L37 PolarHBondContact O-N 3.44Å; T34-L37 PolarHBondContact O-N 3.45Å; V35-L37 VanDerWaalsContact C-N 3.32Å; V35-L37 PolarHBondContact O-N 3.33Å; L37-V40 PolarHBondContact O-N 3.38Å; L37-S41 WeakPolarHBondContact O-CB 3.06Å; L37-S41 PolarHBondContact O-N 2.89Å; L37-S73 VanDerWaalsContact CD2-OG 3.29Å; L37-S73 WeakPolarHBondContact CD2-OG 3.19Å; L37-S73 VanDerWaalsContact CG-OG 3.31Å; L37-S73 WeakPolarHBondContact CG-OG 3.39Å; L37-I97 HydrophobicContact CD2-CD1 4.32Å; L37-I97 HydrophobicContact CD2-CG1 4.33Å; L37-I97 HydrophobicContact CD2-CG2 4.21Å; L37-L230 HydrophobicContact CB-CB 4.45Å; L37-L230 HydrophobicContact CD1-CB 3.79Å; L37-T234 HydrophobicContact CD2-CG2 3.99Å
38L96.3Very high92Very high48 Ų4853.8 Ų53.825%0.25128%0.275SS..Hα-helixtrans-62.9-45.8176.5-170.9152.6000111.7T34 V35 M36 V40 S41 V42 I77T34-L38 PolarHBondContact O-N 3.29Å; V35-L38 PolarHBondContact O-N 2.98Å; M36-L38 VanDerWaalsContact C-N 3.33Å; M36-L38 PolarHBondContact O-N 3.35Å; L38-V40 VanDerWaalsContact C-N 3.34Å; L38-V40 PolarHBondContact O-N 3Å; L38-S41 WeakPolarHBondContact O-CB 3.26Å; L38-S41 PolarHBondContact O-N 3.22Å; L38-V42 HydrophobicContact CD2-CG2 4.14Å; L38-V42 WeakPolarHBondContact O-CG2 3.47Å; L38-V42 PolarHBondContact O-N 3.01Å; L38-I77 HydrophobicContact CD1-CD1 3.62Å
39I97Very high92.1Very high80 Ų8049.1 Ų49.141%0.4126%0.263SS..Hα-helixtrans-59.6-47.2177.6-66.6165.1000110.3V35 M36 S41 V42 L43V35-I39 HydrophobicContact CG1-CD1 4.01Å; V35-I39 WeakPolarHBondContact O-CG1 3.41Å; V35-I39 PolarHBondContact O-N 3.18Å; M36-I39 PolarHBondContact O-N 3.41Å; M36-I39 HydrophobicContact SD-CD1 4.42Å; I39-S41 VanDerWaalsContact C-N 3.34Å; I39-S41 PolarHBondContact O-N 2.98Å; I39-V42 PolarHBondContact O-N 3.44Å; I39-L43 HydrophobicContact CG2-CD1 4.33Å; I39-L43 WeakPolarHBondContact O-CG 3.32Å; I39-L43 PolarHBondContact O-N 3.06Å
40V96.5Very high92Very high17 Ų1744.5 Ų44.510%0.10325%0.249CC..Hα-helixtrans-62.2-41.5178.1172.80000111.3M36 L37 L38 V42 L43 I44 L223 V226 A227 L230M36-V40 WeakPolarHBondContact O-CG2 3.2Å; M36-V40 PolarHBondContact O-N 2.96Å; L37-V40 PolarHBondContact O-N 3.38Å; L38-V40 VanDerWaalsContact C-N 3.34Å; L38-V40 PolarHBondContact O-N 3Å; V40-V42 VanDerWaalsContact C-N 3.35Å; V40-V42 PolarHBondContact O-N 3.2Å; V40-L43 PolarHBondContact O-N 3.38Å; V40-I44 HydrophobicContact CG1-CD1 3.97Å; V40-I44 HydrophobicContact CG1-CG1 4.47Å; V40-I44 WeakPolarHBondContact O-CG1 3.42Å; V40-I44 PolarHBondContact O-N 3.03Å; V40-L223 HydrophobicContact CG1-CD2 4.3Å; V40-V226 HydrophobicContact CG1-CG1 4.45Å; V40-V226 HydrophobicContact CG2-CG1 4.26Å; V40-A227 HydrophobicContact CG1-CB 3.85Å; V40-L230 HydrophobicContact CB-CD1 4.5Å; V40-L230 HydrophobicContact CG2-CD1 3.88Å
41S96.4Very high91.5Very high3 Ų345 Ų452%0.02125%0.254CS..Hα-helixtrans-59.5-41.9175.2146.80000112.7L37 L38 I39 I44 L45 G66 G70L37-S41 WeakPolarHBondContact O-CB 3.06Å; L37-S41 PolarHBondContact O-N 2.89Å; L38-S41 WeakPolarHBondContact O-CB 3.26Å; L38-S41 PolarHBondContact O-N 3.22Å; I39-S41 VanDerWaalsContact C-N 3.34Å; I39-S41 PolarHBondContact O-N 2.98Å; S41-I44 PolarHBondContact O-N 3.02Å; S41-L45 WeakPolarHBondContact O-CB 3.36Å; S41-L45 PolarHBondContact O-N 3.43Å; S41-G66 PolarHBondContact OG-O 3.27Å; S41-G70 WeakPolarHBondContact OG-CA 3.27Å; S41-G70 PolarHBondContact OG-N 3.21Å
42V95.7Very high90.8Very high72 Ų7244.1 Ų44.144%0.43625%0.251SS..Hα-helixtrans-65.1-42.1175.7172.90000110.8L38 I39 V40 I44 L45 V46L38-V42 HydrophobicContact CD2-CG2 4.14Å; L38-V42 WeakPolarHBondContact O-CG2 3.47Å; L38-V42 PolarHBondContact O-N 3.01Å; I39-V42 PolarHBondContact O-N 3.44Å; V40-V42 VanDerWaalsContact C-N 3.35Å; V40-V42 PolarHBondContact O-N 3.2Å; V42-I44 PolarHBondContact O-N 2.89Å; V42-L45 PolarHBondContact O-N 2.89Å; V42-V46 HydrophobicContact CG1-CG2 4.37Å; V42-V46 WeakPolarHBondContact O-CG2 3.23Å; V42-V46 PolarHBondContact O-N 3.41Å
43L94.5Very high90Very high71 Ų7145.7 Ų45.737%0.37226%0.261SS..Hα-helixtrans-61.7-43.3175.9-67.8173.6000111.8I39 V40 L45 V46 F47 L223I39-L43 HydrophobicContact CG2-CD1 4.33Å; I39-L43 WeakPolarHBondContact O-CG 3.32Å; I39-L43 PolarHBondContact O-N 3.06Å; V40-L43 PolarHBondContact O-N 3.38Å; L43-L45 VanDerWaalsContact C-N 3.32Å; L43-L45 PolarHBondContact O-N 3.31Å; L43-V46 PolarHBondContact O-N 2.64Å; L43-F47 HydrophobicContact CB-CD2 4.41Å; L43-F47 HydrophobicContact CB-CE2 4.38Å; L43-F47 HydrophobicContact CD2-CE2 4.5Å; L43-F47 WeakPolarHBondContact O-CD2 3.24Å; L43-F47 PolarHBondContact O-N 2.86Å; L43-L223 HydrophobicContact CB-CD1 4.07Å; L43-L223 HydrophobicContact CB-CD2 4.37Å; L43-L223 HydrophobicContact CD1-CD2 4.3Å
44I93.1Very high88.7Confident4 Ų450.7 Ų50.72%0.02128%0.275CS..Hα-helixtrans-59.4-44.4174.6-69.2166.9000110.7V40 S41 V42 G48 G62 P65 L223 A227V40-I44 HydrophobicContact CG1-CD1 3.97Å; V40-I44 HydrophobicContact CG1-CG1 4.47Å; V40-I44 WeakPolarHBondContact O-CG1 3.42Å; V40-I44 PolarHBondContact O-N 3.03Å; S41-I44 PolarHBondContact O-N 3.02Å; V42-I44 PolarHBondContact O-N 2.89Å; I44-G48 WeakPolarHBondContact O-CA 3.37Å; I44-G48 PolarHBondContact O-N 2.83Å; I44-G62 VanDerWaalsContact CG2-O 3.29Å; I44-G62 WeakPolarHBondContact CG2-O 3.24Å; I44-P65 HydrophobicContact CG2-CG 4.23Å; I44-L223 HydrophobicContact CD1-CB 4.28Å; I44-L223 HydrophobicContact CG1-CB 3.66Å; I44-A227 HydrophobicContact CD1-CB 3.48Å; I44-A227 VanDerWaalsContact CD1-CB 3.48Å
45L92.9Very high87.2Confident52 Ų5252 Ų5227%0.27228%0.284SS..Hα-helixtrans-62.7-45178.2-176.2145.8000111.6S41 V42 L43 G48 L49 V67S41-L45 WeakPolarHBondContact O-CB 3.36Å; S41-L45 PolarHBondContact O-N 3.43Å; V42-L45 PolarHBondContact O-N 2.89Å; L43-L45 VanDerWaalsContact C-N 3.32Å; L43-L45 PolarHBondContact O-N 3.31Å; L45-G48 PolarHBondContact O-N 2.92Å; L45-L49 HydrophobicContact CD2-CD1 3.58Å; L45-L49 HydrophobicContact CD2-CG 4.44Å; L45-L49 HydrophobicContact CG-CD1 4.22Å; L45-L49 WeakPolarHBondContact O-CB 3.16Å; L45-L49 VanDerWaalsContact O-CG 3.26Å; L45-L49 WeakPolarHBondContact O-CG 3.15Å; L45-L49 PolarHBondContact O-N 3.35Å; L45-V67 HydrophobicContact CD1-CG2 3.55Å
46V91.1Very high85.4Confident78 Ų7857 Ų5747%0.47330%0.304SS..Hα-helixtrans-63.6-48.6178.5171.60000111.1V42 L43 L49 A50V42-V46 HydrophobicContact CG1-CG2 4.37Å; V42-V46 WeakPolarHBondContact O-CG2 3.23Å; V42-V46 PolarHBondContact O-N 3.41Å; L43-V46 PolarHBondContact O-N 2.64Å; V46-L49 PolarHBondContact O-N 3.49Å; V46-A50 VanDerWaalsContact O-CB 3.3Å; V46-A50 WeakPolarHBondContact O-CB 3.22Å; V46-A50 PolarHBondContact O-N 3.36Å
47F87.6Confident83Confident60 Ų6059.2 Ų59.226%0.26332%0.317SS..Hα-helixtrans-69.7-35.6179.2-69.5-51.9000112.7L43 A50 A51 L216 L223L43-F47 HydrophobicContact CB-CD2 4.41Å; L43-F47 HydrophobicContact CB-CE2 4.38Å; L43-F47 HydrophobicContact CD2-CE2 4.5Å; L43-F47 WeakPolarHBondContact O-CD2 3.24Å; L43-F47 PolarHBondContact O-N 2.86Å; F47-A50 PolarHBondContact O-N 3.39Å; F47-A51 WeakPolarHBondContact O-CB 3.5Å; F47-A51 PolarHBondContact O-N 3Å; F47-L216 HydrophobicContact CD1-CD2 3.33Å; F47-L216 HydrophobicContact CE1-CD2 3.65Å; F47-L216 HydrophobicContact CG-CD2 4.38Å; F47-L223 HydrophobicContact CD2-CD1 3.3Å; F47-L223 HydrophobicContact CE2-CD1 3.58Å; F47-L223 HydrophobicContact CG-CD1 4.49Å
48G86.6Confident81Confident6 Ų662.3 Ų62.36%0.06233%0.333CS..Hα-helixtrans-61.8-44.9172.800000112.1I44 L45 A51 T52I44-G48 WeakPolarHBondContact O-CA 3.37Å; I44-G48 PolarHBondContact O-N 2.83Å; L45-G48 PolarHBondContact O-N 2.92Å; G48-A51 PolarHBondContact O-N 2.86Å; G48-T52 WeakPolarHBondContact O-CG2 3.34Å; G48-T52 PolarHBondContact O-N 2.91Å; G48-T52 PolarHBondContact O-OG1 2.95Å
49L85.1Confident78.9Confident80 Ų8066.6 Ų66.642%0.41936%0.361SS..Hα-helixtrans-68.9-36.8174.6-70.6175.2000112.6L45 V46 A51 T52 T53L45-L49 HydrophobicContact CD2-CD1 3.58Å; L45-L49 HydrophobicContact CD2-CG 4.44Å; L45-L49 HydrophobicContact CG-CD1 4.22Å; L45-L49 WeakPolarHBondContact O-CB 3.16Å; L45-L49 VanDerWaalsContact O-CG 3.26Å; L45-L49 WeakPolarHBondContact O-CG 3.15Å; L45-L49 PolarHBondContact O-N 3.35Å; V46-L49 PolarHBondContact O-N 3.49Å; L49-A51 VanDerWaalsContact C-N 3.3Å; L49-A51 PolarHBondContact O-N 2.83Å; L49-T52 WeakPolarHBondContact CA-OG1 3.47Å; L49-T52 PolarHBondContact O-N 3.23Å; L49-T52 PolarHBondContact O-OG1 2.99Å; L49-T53 WeakPolarHBondContact O-CG2 3.28Å; L49-T53 PolarHBondContact O-N 3.47Å; L49-T53 PolarHBondContact O-OG1 3.42Å
50A83.1Confident77Confident32 Ų3264.6 Ų64.626%0.26435%0.352SS..Hα-helixtrans-64.5-36.9175.200000111.6V46 F47 T53 R54V46-A50 VanDerWaalsContact O-CB 3.3Å; V46-A50 WeakPolarHBondContact O-CB 3.22Å; V46-A50 PolarHBondContact O-N 3.36Å; F47-A50 PolarHBondContact O-N 3.39Å; A50-T53 PolarHBondContact O-OG1 3.38Å; A50-R54 WeakPolarHBondContact O-CG 3.36Å; A50-R54 PolarHBondContact O-N 3.01Å
51A75.8Confident75.6Confident17 Ų1765 Ų6514%0.1436%0.36CS..Hα-helixtrans-67.9-46.3174.500000111.6F47 G48 L49 T53 R54 T55F47-A51 WeakPolarHBondContact O-CB 3.5Å; F47-A51 PolarHBondContact O-N 3Å; G48-A51 PolarHBondContact O-N 2.86Å; L49-A51 VanDerWaalsContact C-N 3.3Å; L49-A51 PolarHBondContact O-N 2.83Å; A51-T53 VanDerWaalsContact C-N 3.31Å; A51-T53 PolarHBondContact O-N 2.9Å; A51-R54 PolarHBondContact O-N 3.45Å; A51-R54 VanDerWaalsContact O-N 3.12Å; A51-T55 PolarHBondContact O-N 3.02Å; A51-T55 PolarHBondContact O-OG1 3.23Å
52T74.1Confident74.7Confident42 Ų4265.1 Ų65.126%0.25836%0.362SS..Hα-helixtrans-65.1-32.6-17957.50000113.3G48 L49 R54 Y63G48-T52 WeakPolarHBondContact O-CG2 3.34Å; G48-T52 PolarHBondContact O-N 2.91Å; G48-T52 PolarHBondContact O-OG1 2.95Å; L49-T52 WeakPolarHBondContact CA-OG1 3.47Å; L49-T52 PolarHBondContact O-N 3.23Å; L49-T52 PolarHBondContact O-OG1 2.99Å; T52-R54 VanDerWaalsContact C-N 3.28Å; T52-R54 PolarHBondContact O-N 2.74Å; T52-Y63 HydrophobicContact CG2-CD1 4.38Å
53T73.6Confident74.4Confident111 Ų11165.1 Ų65.168%0.68135%0.354SS*.Hα-helixtrans-74.1-17.9176.751.60000113.6L49 A50 A51L49-T53 WeakPolarHBondContact O-CG2 3.28Å; L49-T53 PolarHBondContact O-N 3.47Å; L49-T53 PolarHBondContact O-OG1 3.42Å; A50-T53 PolarHBondContact O-OG1 3.38Å; A51-T53 VanDerWaalsContact C-N 3.31Å; A51-T53 PolarHBondContact O-N 2.9Å
54R66.3Low74.2Confident143 Ų14367.7 Ų67.754%0.5436%0.36SS..Hα-helixtrans-99.9-18.2-178.2-71.1-69.8-170.2135.25.1113.7A50 A51 T52 D209 L213A50-R54 WeakPolarHBondContact O-CG 3.36Å; A50-R54 PolarHBondContact O-N 3.01Å; A51-R54 PolarHBondContact O-N 3.45Å; A51-R54 VanDerWaalsContact O-N 3.12Å; T52-R54 VanDerWaalsContact C-N 3.28Å; T52-R54 PolarHBondContact O-N 2.74Å; R54-D209 IonicContact CZ-OD1 3.94Å; R54-D209 IonicContact NH1-OD1 3.27Å; R54-D209 PolarHBondContact NH1-OD1 3.41Å; R54-D209 IonicContact NH1-OD2 2.79Å; R54-D209 PolarHBondContact NH1-OD2 3.35Å; R54-D209 IonicContact NH2-OD1 3.57Å; R54-L213 HydrophobicContact CB-CD1 4.32Å
55T61.1Low74.3Confident33 Ų3367.5 Ų67.520%0.20236%0.359CS..  trans-117.5110.6179.460.10000111.5A51 N57 I58 L213A51-T55 PolarHBondContact O-N 3.02Å; A51-T55 PolarHBondContact O-OG1 3.23Å; T55-N57 PolarHBondContact O-N 2.92Å; T55-I58 PolarHBondContact OG1-O 3.19Å; T55-L213 HydrophobicContact CG2-CD1 4.2Å; T55-L213 HydrophobicContact CG2-CD2 3.68Å
56Q55.9Low74.4Confident158 Ų15865 Ų6574%0.73835%0.346SS*.SBendtrans-69.3-19.6178.7-62.1-166.3700114D203Q56-D203 VanDerWaalsContact CD-OD2 3.24Å; Q56-D203 PolarHBondContact NE2-OD2 3.27Å
57N44.2Very low74.6Confident137 Ų13764.8 Ų64.873%0.73335%0.345SS*.SBendtrans-116.1-5.2-165.6-65.4-29.6000115T55T55-N57 PolarHBondContact O-N 2.92Å
58I54.1Low75Confident65 Ų6563.2 Ų63.233%0.33334%0.339SS..  trans-130.689.3-178-42.3-179.8000107.6T55 V60 F114T55-I58 PolarHBondContact OG1-O 3.19Å; I58-V60 HydrophobicContact CB-CG2 4.11Å; I58-V60 HydrophobicContact CG2-CG2 3.38Å; I58-V60 PolarHBondContact O-N 3.15Å; I58-F114 HydrophobicContact CD1-CE1 4.08Å; I58-F114 HydrophobicContact CD1-CE2 3.63Å; I58-F114 HydrophobicContact CD1-CZ 3.23Å
59T51.7Low75.4Confident138 Ų13862.9 Ų62.985%0.84734%0.336SS*.  trans-70.673.7170.134.20000109G61T59-G61 PolarHBondContact O-N 2.79Å
60V58.6Low76Confident37 Ų3759.8 Ų59.822%0.22432%0.323CS..  trans-69.9120.1177.8-175.60000108.2I58 G62 D111I58-V60 HydrophobicContact CB-CG2 4.11Å; I58-V60 HydrophobicContact CG2-CG2 3.38Å; I58-V60 PolarHBondContact O-N 3.15Å; V60-G62 PolarHBondContact O-N 3Å; V60-D111 WeakPolarHBondContact CG1-OD1 3.37Å
61G65.6Low76.6Confident26 Ų2663 Ų6327%0.26833%0.331SS..THydrogen-bonded Turntrans-66.722.6178.400000115.3T59 Y63 Y64 P65T59-G61 PolarHBondContact O-N 2.79Å; G61-Y63 PolarHBondContact O-N 2.94Å; G61-Y64 WeakPolarHBondContact O-CD2 3.45Å; G61-Y64 PolarHBondContact O-N 3.32Å; G61-P65 WeakPolarHBondContact O-CD 3.29Å
62G77.6Confident77.5Confident5 Ų562.2 Ų62.25%0.05233%0.325CS..THydrogen-bonded Turntrans-67-17.9-174.300000114.7I44 V60 P65I44-G62 VanDerWaalsContact CG2-O 3.29Å; I44-G62 WeakPolarHBondContact CG2-O 3.24Å; V60-G62 PolarHBondContact O-N 3Å; G62-P65 WeakPolarHBondContact O-CD 3.31Å; G62-P65 VanDerWaalsContact O-CG 3.3Å; G62-P65 WeakPolarHBondContact O-CG 3.35Å
63Y89.4Confident78.5Confident72 Ų7260.2 Ų60.228%0.28231%0.313SS..Hα-helixtrans-81.6-24.617771.4-92.7000113.4T52 G61 G66 V67T52-Y63 HydrophobicContact CG2-CD1 4.38Å; G61-Y63 PolarHBondContact O-N 2.94Å; Y63-G66 WeakPolarHBondContact O-CA 3.23Å; Y63-G66 PolarHBondContact O-N 3.23Å; Y63-V67 HydrophobicContact CD2-CG2 4.28Å; Y63-V67 WeakPolarHBondContact O-CG2 3.36Å; Y63-V67 PolarHBondContact O-N 3.24Å
64Y91.9Very high79.5Confident126 Ų12660.2 Ų60.249%0.49430%0.303SS..Hα-helixtrans-57.4-50.5179.2-70.9-75.5000113.5G61 G66 V67 I68G61-Y64 WeakPolarHBondContact O-CD2 3.45Å; G61-Y64 PolarHBondContact O-N 3.32Å; Y64-G66 PolarHBondContact O-N 3.39Å; Y64-V67 PolarHBondContact O-N 3.47Å; Y64-I68 WeakPolarHBondContact O-CD1 3.35Å; Y64-I68 VanDerWaalsContact O-CG1 3.29Å; Y64-I68 WeakPolarHBondContact O-CG1 3.39Å; Y64-I68 PolarHBondContact O-N 3.16Å
65P93.9Very high80.8Confident0 Ų054.7 Ų54.70%028%0.284CS..Hα-helixtrans-59.4-36.7176.423.5-34.6000111.7I44 G61 G62 L69 A103 A104 C107I44-P65 HydrophobicContact CG2-CG 4.23Å; G61-P65 WeakPolarHBondContact O-CD 3.29Å; G62-P65 WeakPolarHBondContact O-CD 3.31Å; G62-P65 VanDerWaalsContact O-CG 3.3Å; G62-P65 WeakPolarHBondContact O-CG 3.35Å; P65-L69 WeakPolarHBondContact O-CB 3.35Å; P65-L69 VanDerWaalsContact O-CG 3.26Å; P65-L69 WeakPolarHBondContact O-CG 3.5Å; P65-L69 PolarHBondContact O-N 3.35Å; P65-A103 HydrophobicContact CB-CB 4.11Å; P65-A104 HydrophobicContact CB-CB 3.9Å; P65-C107 HydrophobicContact CG-CB 4.28Å
66G94.6Very high82.2Confident0 Ų053.1 Ų53.10%028%0.275CS..Hα-helixtrans-57.2-52.4173.400000112.4S41 Y63 Y64 G70S41-G66 PolarHBondContact OG-O 3.27Å; Y63-G66 WeakPolarHBondContact O-CA 3.23Å; Y63-G66 PolarHBondContact O-N 3.23Å; Y64-G66 PolarHBondContact O-N 3.39Å; G66-G70 PolarHBondContact O-N 2.93Å
67V95.8Very high83.9Confident73 Ų7348 Ų4844%0.44225%0.251SS..Hα-helixtrans-61.5-48.6179.4176.90000111.6L45 Y63 Y64 G70 F71L45-V67 HydrophobicContact CD1-CG2 3.55Å; Y63-V67 HydrophobicContact CD2-CG2 4.28Å; Y63-V67 WeakPolarHBondContact O-CG2 3.36Å; Y63-V67 PolarHBondContact O-N 3.24Å; Y64-V67 PolarHBondContact O-N 3.47Å; V67-G70 PolarHBondContact O-N 2.75Å; V67-F71 PolarHBondContact O-N 2.71Å
68I96.2Very high86.2Confident26 Ų2644.1 Ų44.113%0.13323%0.231CC..Hα-helixtrans-66-48.7-175.3-64.5157.9000110.8Y64 G70 F71 G72 F96 F99 G100 A103Y64-I68 WeakPolarHBondContact O-CD1 3.35Å; Y64-I68 VanDerWaalsContact O-CG1 3.29Å; Y64-I68 WeakPolarHBondContact O-CG1 3.39Å; Y64-I68 PolarHBondContact O-N 3.16Å; I68-G70 VanDerWaalsContact C-N 3.27Å; I68-G70 PolarHBondContact O-N 3.44Å; I68-F71 PolarHBondContact O-N 3.5Å; I68-G72 PolarHBondContact O-N 2.91Å; I68-F96 HydrophobicContact CG2-CD1 4.46Å; I68-F96 VanDerWaalsContact CG2-O 3.23Å; I68-F96 WeakPolarHBondContact CG2-O 3.42Å; I68-F99 HydrophobicContact CD1-CD1 3.64Å; I68-F99 HydrophobicContact CD1-CE1 3.35Å; I68-F99 HydrophobicContact CD1-CZ 4.37Å; I68-F99 HydrophobicContact CG1-CD1 4.17Å; I68-F99 HydrophobicContact CG1-CE1 4.18Å; I68-F99 HydrophobicContact CG2-CB 4.43Å; I68-F99 HydrophobicContact CG2-CD1 3.71Å; I68-G100 VanDerWaalsContact CG2-CA 3.48Å; I68-A103 HydrophobicContact CD1-CB 4.46Å
69L96Very high87.8Confident0 Ų041.1 Ų41.10%022%0.215CC..Hα-helixtrans-65.4-32.5177.3-71.9173000111.8P65 S73 I97 A104 A227P65-L69 WeakPolarHBondContact O-CB 3.35Å; P65-L69 VanDerWaalsContact O-CG 3.26Å; P65-L69 WeakPolarHBondContact O-CG 3.5Å; P65-L69 PolarHBondContact O-N 3.35Å; L69-S73 VanDerWaalsContact O-CB 3.23Å; L69-S73 WeakPolarHBondContact O-CB 3.41Å; L69-S73 PolarHBondContact O-N 3.43Å; L69-S73 PolarHBondContact O-OG 3.41Å; L69-I97 HydrophobicContact CD2-CG2 4.35Å; L69-A104 HydrophobicContact CD1-CB 4.34Å; L69-A227 HydrophobicContact CD1-CB 3.84Å
70G96.3Very high89.3Confident15 Ų1535.7 Ų35.716%0.15519%0.185CC..Hα-helixtrans-66.6-48.5177.600000111.3S41 G66 V67 I68 S73 F74S41-G70 WeakPolarHBondContact OG-CA 3.27Å; S41-G70 PolarHBondContact OG-N 3.21Å; G66-G70 PolarHBondContact O-N 2.93Å; V67-G70 PolarHBondContact O-N 2.75Å; I68-G70 VanDerWaalsContact C-N 3.27Å; I68-G70 PolarHBondContact O-N 3.44Å; G70-S73 PolarHBondContact O-N 2.79Å; G70-F74 WeakPolarHBondContact O-CB 3.45Å; G70-F74 PolarHBondContact O-N 3.34Å
71F95.9Very high90.5Very high100 Ų10041 Ų4144%0.43921%0.207SC..Hα-helixtrans-62.4-45.8175.1-171.8-104.2000111.7V67 I68 S73 F74 L75 F96V67-F71 PolarHBondContact O-N 2.71Å; I68-F71 PolarHBondContact O-N 3.5Å; F71-S73 PolarHBondContact O-N 3.09Å; F71-F74 PolarHBondContact O-N 2.92Å; F71-L75 HydrophobicContact CD1-CD1 3.85Å; F71-L75 HydrophobicContact CD1-CG 4.34Å; F71-L75 HydrophobicContact CE1-CD1 3.33Å; F71-L75 HydrophobicContact CE1-CG 4.02Å; F71-L75 HydrophobicContact CZ-CD1 3.81Å; F71-L75 HydrophobicContact CZ-CD2 4.3Å; F71-L75 HydrophobicContact CZ-CG 4.16Å; F71-L75 WeakPolarHBondContact O-CG 3.33Å; F71-L75 PolarHBondContact O-N 3.31Å; F71-F96 AromaticContact CD1-CD1 3.99Å; F71-F96 HydrophobicContact CD1-CD1 3.99Å; F71-F96 AromaticContact CD1-CD2 3.81Å; F71-F96 HydrophobicContact CD1-CD2 3.81Å; F71-F96 AromaticContact CD1-CE1 3.99Å; F71-F96 HydrophobicContact CD1-CE1 3.99Å; F71-F96 AromaticContact CD1-CE2 3.85Å; F71-F96 HydrophobicContact CD1-CE2 3.85Å; F71-F96 AromaticContact CD1-CG 3.91Å; F71-F96 HydrophobicContact CD1-CG 3.91Å; F71-F96 AromaticContact CD1-CZ 3.93Å; F71-F96 HydrophobicContact CD1-CZ 3.93Å; F71-F96 AromaticContact CE1-CD2 3.87Å; F71-F96 HydrophobicContact CE1-CD2 3.87Å; F71-F96 HydrophobicContact CE1-CE1 4.21Å; F71-F96 AromaticContact CE1-CE2 3.5Å; F71-F96 HydrophobicContact CE1-CE2 3.5Å; F71-F96 HydrophobicContact CE1-CG 4.41Å; F71-F96 AromaticContact CE1-CZ 3.69Å; F71-F96 HydrophobicContact CE1-CZ 3.69Å
72G95.4Very high91.2Very high0 Ų042.9 Ų42.90%021%0.21CC..Hα-helixtrans-59.5-43.2175.600000113I68 L75 G76 S93I68-G72 PolarHBondContact O-N 2.91Å; G72-L75 PolarHBondContact O-N 3.47Å; G72-G76 PolarHBondContact O-N 3.49Å; G72-S93 WeakPolarHBondContact O-CB 3.41Å
73S94.9Very high90.8Very high0 Ų048.9 Ų48.90%024%0.24CC..Hα-helixtrans-67.8-40.5177.7-60.40000112.2L37 L69 G70 F71 G76 I77L37-S73 VanDerWaalsContact CD2-OG 3.29Å; L37-S73 WeakPolarHBondContact CD2-OG 3.19Å; L37-S73 VanDerWaalsContact CG-OG 3.31Å; L37-S73 WeakPolarHBondContact CG-OG 3.39Å; L69-S73 VanDerWaalsContact O-CB 3.23Å; L69-S73 WeakPolarHBondContact O-CB 3.41Å; L69-S73 PolarHBondContact O-N 3.43Å; L69-S73 PolarHBondContact O-OG 3.41Å; G70-S73 PolarHBondContact O-N 2.79Å; F71-S73 PolarHBondContact O-N 3.09Å; S73-G76 WeakPolarHBondContact O-CA 3.38Å; S73-G76 PolarHBondContact O-N 2.84Å; S73-G76 VanDerWaalsContact O-N 3.15Å; S73-I77 WeakPolarHBondContact O-CG1 3.35Å; S73-I77 PolarHBondContact O-N 2.69Å
74F94.6Very high89.6Confident111 Ų11152.7 Ų52.749%0.48726%0.26SS..Hα-helixtrans-60.3-48.4175.4179.2-101.4000111.2G70 F71 G76 I77 I78G70-F74 WeakPolarHBondContact O-CB 3.45Å; G70-F74 PolarHBondContact O-N 3.34Å; F71-F74 PolarHBondContact O-N 2.92Å; F74-G76 VanDerWaalsContact C-N 3.26Å; F74-G76 PolarHBondContact O-N 3.4Å; F74-I77 PolarHBondContact O-N 3.48Å; F74-I78 HydrophobicContact CD1-CG1 4.35Å; F74-I78 HydrophobicContact CE1-CG1 3.95Å; F74-I78 HydrophobicContact CE2-CD1 4.36Å; F74-I78 HydrophobicContact CE2-CG1 4.23Å; F74-I78 HydrophobicContact CZ-CD1 4.14Å; F74-I78 HydrophobicContact CZ-CG1 3.89Å; F74-I78 WeakPolarHBondContact O-CG1 3.44Å; F74-I78 PolarHBondContact O-N 3.08Å
75L93.3Very high88.6Confident27 Ų2752.3 Ų52.314%0.14127%0.267CS..Hα-helixtrans-61.7-34.4174-67.9-175.7000112.4F71 G72 G79 A92 F96F71-L75 HydrophobicContact CD1-CD1 3.85Å; F71-L75 HydrophobicContact CD1-CG 4.34Å; F71-L75 HydrophobicContact CE1-CD1 3.33Å; F71-L75 HydrophobicContact CE1-CG 4.02Å; F71-L75 HydrophobicContact CZ-CD1 3.81Å; F71-L75 HydrophobicContact CZ-CD2 4.3Å; F71-L75 HydrophobicContact CZ-CG 4.16Å; F71-L75 WeakPolarHBondContact O-CG 3.33Å; F71-L75 PolarHBondContact O-N 3.31Å; G72-L75 PolarHBondContact O-N 3.47Å; L75-G79 WeakPolarHBondContact O-CA 3.48Å; L75-G79 PolarHBondContact O-N 3.2Å; L75-A92 HydrophobicContact CD1-CB 4.17Å; L75-F96 HydrophobicContact CD1-CD2 3.98Å; L75-F96 HydrophobicContact CD1-CE2 4.21Å
76G91.4Very high87.9Confident0 Ų055.2 Ų55.20%028%0.279CS..Hα-helixtrans-64.3-41.9174.500000112.8G72 S73 F74 A80G72-G76 PolarHBondContact O-N 3.49Å; S73-G76 WeakPolarHBondContact O-CA 3.38Å; S73-G76 PolarHBondContact O-N 2.84Å; S73-G76 VanDerWaalsContact O-N 3.15Å; F74-G76 VanDerWaalsContact C-N 3.26Å; F74-G76 PolarHBondContact O-N 3.4Å; G76-A80 WeakPolarHBondContact O-CB 3.37Å; G76-A80 PolarHBondContact O-N 3.29Å
77I91.7Very high87.3Confident49 Ų4963.6 Ų63.625%0.25131%0.311SS..Hα-helixtrans-66-48.6176.7-65.9165.3000110.4T34 V35 L38 S73 F74 A80 H81T34-I77 HydrophobicContact CG2-CD1 4.5Å; T34-I77 HydrophobicContact CG2-CG1 3.77Å; V35-I77 HydrophobicContact CG2-CD1 4.17Å; L38-I77 HydrophobicContact CD1-CD1 3.62Å; S73-I77 WeakPolarHBondContact O-CG1 3.35Å; S73-I77 PolarHBondContact O-N 2.69Å; F74-I77 PolarHBondContact O-N 3.48Å; I77-A80 PolarHBondContact O-N 2.96Å; I77-H81 PolarHBondContact O-N 3.38Å
78I90.9Very high86.9Confident57 Ų5767.2 Ų67.229%0.29232%0.323SS..Hα-helixtrans-63.1-44.3178.3-62.4-60.7000110.5F74 A80 H81 L82 M89F74-I78 HydrophobicContact CD1-CG1 4.35Å; F74-I78 HydrophobicContact CE1-CG1 3.95Å; F74-I78 HydrophobicContact CE2-CD1 4.36Å; F74-I78 HydrophobicContact CE2-CG1 4.23Å; F74-I78 HydrophobicContact CZ-CD1 4.14Å; F74-I78 HydrophobicContact CZ-CG1 3.89Å; F74-I78 WeakPolarHBondContact O-CG1 3.44Å; F74-I78 PolarHBondContact O-N 3.08Å; I78-A80 PolarHBondContact O-N 3.35Å; I78-H81 PolarHBondContact O-N 2.85Å; I78-L82 HydrophobicContact CG2-CD1 3.52Å; I78-L82 HydrophobicContact CG2-CG 3.92Å; I78-L82 WeakPolarHBondContact O-CG 3.41Å; I78-L82 PolarHBondContact O-N 3.44Å; I78-M89 HydrophobicContact CG2-SD 3.76Å
79G87.9Confident86.6Confident1 Ų169.3 Ų69.31%0.0133%0.333CS..Hα-helixtrans-62.5-26.6176.200000114L75 K86L75-G79 WeakPolarHBondContact O-CA 3.48Å; L75-G79 PolarHBondContact O-N 3.2Å; G79-K86 WeakPolarHBondContact O-CB 3.34Å
80A82.7Confident86.2Confident25 Ų2569.8 Ų69.821%0.20734%0.335CS..Hα-helixtrans-81-19.7173.900000113.8K27 I31 G76 I77 I78K27-A80 WeakPolarHBondContact CE-O 3.37Å; K27-A80 PolarHBondContact NZ-O 2.83Å; K27-A80 VanDerWaalsContact NZ-O 3.09Å; I31-A80 HydrophobicContact CG1-CB 4.47Å; G76-A80 WeakPolarHBondContact O-CB 3.37Å; G76-A80 PolarHBondContact O-N 3.29Å; I77-A80 PolarHBondContact O-N 2.96Å; I78-A80 PolarHBondContact O-N 3.35Å
81H83.7Confident86Confident149 Ų14971.6 Ų71.669%0.6934%0.343SS*.Hα-helixtrans-98.7-32.6-179.2-165.7-88.2000113.4I77 I78I77-H81 PolarHBondContact O-N 3.38Å; I78-H81 PolarHBondContact O-N 2.85Å
82L82.1Confident85.8Confident65 Ų6568.5 Ų68.534%0.3434%0.336SS..  trans-71.5133.5177.6-69.1176.3000111.7I78 M89I78-L82 HydrophobicContact CG2-CD1 3.52Å; I78-L82 HydrophobicContact CG2-CG 3.92Å; I78-L82 WeakPolarHBondContact O-CG 3.41Å; I78-L82 PolarHBondContact O-N 3.44Å; L82-M89 HydrophobicContact CD1-CE 3.77Å; L82-M89 HydrophobicContact CD1-SD 3.54Å; L82-M89 VanDerWaalsContact CD1-SD 3.54Å
83I68.1Low85.8Confident131 Ų13168.5 Ų68.567%0.67234%0.336SS*.SBendtrans-89.3-39177-106.978.5000111
84E64.2Low85.6Confident152 Ų15270 Ų7071%0.7134%0.344SS*.SBendtrans-100.6122.4179-71.4126.3-157.100109.4
85N70.1Confident85.6Confident118 Ų11869 Ų6963%0.63135%0.347SS*.SBendtrans79.118.5-177.8-52.6-40000118.6R87 Q88N85-R87 PolarHBondContact O-N 3.28Å; N85-R87 VanDerWaalsContact O-N 3.09Å; N85-Q88 PolarHBondContact O-N 2.86Å
86K80.8Confident85.8Confident60 Ų6071.5 Ų71.526%0.26136%0.357SS..Hα-helixtrans-55.4-30.4177.265.1178.4-175.7170.60115G79 L90 M245G79-K86 WeakPolarHBondContact O-CB 3.34Å; K86-L90 HydrophobicContact CB-CD1 4.31Å; K86-L90 VanDerWaalsContact O-CB 3.22Å; K86-L90 WeakPolarHBondContact O-CB 3.31Å; K86-L90 WeakPolarHBondContact O-CD1 3.42Å; K86-L90 WeakPolarHBondContact O-CG 3.49Å; K86-L90 PolarHBondContact O-N 3.48Å; K86-M245 PolarHBondContact NZ-SD 2.74Å
87R82Confident86Confident176 Ų17671.5 Ų71.566%0.66436%0.357SS*.Hα-helixtrans-66.6-43-174.3-166.6176.6-174-98.45.5112.6N85 V91N85-R87 PolarHBondContact O-N 3.28Å; N85-R87 VanDerWaalsContact O-N 3.09Å; R87-V91 WeakPolarHBondContact O-CB 3.35Å; R87-V91 WeakPolarHBondContact O-CG2 3.49Å; R87-V91 PolarHBondContact O-N 2.99Å
88Q86.9Confident86.2Confident150 Ų15071.8 Ų71.870%0.70136%0.363SS*.Hα-helixtrans-70-43.7-179.1-70.1180-14.600111.3N85 V91 A92N85-Q88 PolarHBondContact O-N 2.86Å; Q88-V91 PolarHBondContact O-N 3.42Å; Q88-A92 WeakPolarHBondContact O-CB 3.14Å; Q88-A92 PolarHBondContact O-N 3.04Å
89M89.1Confident86.4Confident70 Ų7075.3 Ų75.335%0.34538%0.376SS..Hα-helixtrans-67.2-38.1177-67.7-154.9-177.300112.8I78 L82 A92 S93I78-M89 HydrophobicContact CG2-SD 3.76Å; L82-M89 HydrophobicContact CD1-CE 3.77Å; L82-M89 HydrophobicContact CD1-SD 3.54Å; L82-M89 VanDerWaalsContact CD1-SD 3.54Å; M89-A92 PolarHBondContact O-N 2.65Å; M89-S93 WeakPolarHBondContact O-CB 3.34Å; M89-S93 PolarHBondContact O-N 3.02Å; M89-S93 PolarHBondContact O-OG 3.4Å
90L88.2Confident86.8Confident9 Ų975.2 Ų75.25%0.04738%0.376CS..Hα-helixtrans-65.2-43.7175.2-75.4170.3000111.6K86 A92 S93 I94 L238K86-L90 HydrophobicContact CB-CD1 4.31Å; K86-L90 VanDerWaalsContact O-CB 3.22Å; K86-L90 WeakPolarHBondContact O-CB 3.31Å; K86-L90 WeakPolarHBondContact O-CD1 3.42Å; K86-L90 WeakPolarHBondContact O-CG 3.49Å; K86-L90 PolarHBondContact O-N 3.48Å; L90-A92 PolarHBondContact O-N 3.41Å; L90-S93 WeakPolarHBondContact CA-OG 2.99Å; L90-S93 PolarHBondContact O-N 3.25Å; L90-S93 PolarHBondContact O-OG 2.87Å; L90-I94 WeakPolarHBondContact O-CD1 3.38Å; L90-I94 VanDerWaalsContact O-CG1 3.24Å; L90-I94 WeakPolarHBondContact O-CG1 3.39Å; L90-I94 PolarHBondContact O-N 3.47Å; L90-L238 HydrophobicContact CD2-CD2 3.79Å
91V91.1Very high87.4Confident53 Ų5374.5 Ų74.532%0.32137%0.369SS..Hα-helixtrans-58.5-48.7174.5171.90000110.7R87 Q88 S93 I94 V95 K242R87-V91 WeakPolarHBondContact O-CB 3.35Å; R87-V91 WeakPolarHBondContact O-CG2 3.49Å; R87-V91 PolarHBondContact O-N 2.99Å; Q88-V91 PolarHBondContact O-N 3.42Å; V91-S93 PolarHBondContact O-N 3.45Å; V91-I94 PolarHBondContact O-N 3.33Å; V91-V95 WeakPolarHBondContact O-CG2 3.25Å; V91-V95 PolarHBondContact O-N 2.99Å; V91-V95 VanDerWaalsContact O-N 3.08Å; V91-K242 HydrophobicContact CG2-CD 4.22Å
92A92.8Very high88Confident35 Ų3571.7 Ų71.729%0.28936%0.363SS..Hα-helixtrans-58-47.9177.100000111.3L75 Q88 M89 L90 I94 V95 F96L75-A92 HydrophobicContact CD1-CB 4.17Å; Q88-A92 WeakPolarHBondContact O-CB 3.14Å; Q88-A92 PolarHBondContact O-N 3.04Å; M89-A92 PolarHBondContact O-N 2.65Å; L90-A92 PolarHBondContact O-N 3.41Å; A92-I94 VanDerWaalsContact C-N 3.33Å; A92-I94 PolarHBondContact O-N 3.34Å; A92-V95 PolarHBondContact O-N 2.64Å; A92-F96 WeakPolarHBondContact O-CD2 3.22Å; A92-F96 PolarHBondContact O-N 3.26Å
93S94.4Very high88.5Confident0 Ų069.4 Ų69.40%035%0.353CS..Hα-helixtrans-58-43.1178.774.40000112.7G72 M89 L90 V91 V95 F96 I97G72-S93 WeakPolarHBondContact O-CB 3.41Å; M89-S93 WeakPolarHBondContact O-CB 3.34Å; M89-S93 PolarHBondContact O-N 3.02Å; M89-S93 PolarHBondContact O-OG 3.4Å; L90-S93 WeakPolarHBondContact CA-OG 2.99Å; L90-S93 PolarHBondContact O-N 3.25Å; L90-S93 PolarHBondContact O-OG 2.87Å; V91-S93 PolarHBondContact O-N 3.45Å; S93-V95 PolarHBondContact O-N 2.98Å; S93-F96 PolarHBondContact O-N 3.33Å; S93-I97 WeakPolarHBondContact O-CB 3.49Å; S93-I97 WeakPolarHBondContact O-CG1 3.26Å; S93-I97 PolarHBondContact O-N 2.96Å
94I92.5Very high89.7Confident33 Ų3363.2 Ų63.217%0.16932%0.322CS..Hα-helixtrans-64.8-41.5179.8-67.4162.5000110.3L90 V91 A92 I97 S98 L238L90-I94 WeakPolarHBondContact O-CD1 3.38Å; L90-I94 VanDerWaalsContact O-CG1 3.24Å; L90-I94 WeakPolarHBondContact O-CG1 3.39Å; L90-I94 PolarHBondContact O-N 3.47Å; V91-I94 PolarHBondContact O-N 3.33Å; A92-I94 VanDerWaalsContact C-N 3.33Å; A92-I94 PolarHBondContact O-N 3.34Å; I94-I97 PolarHBondContact O-N 2.91Å; I94-S98 VanDerWaalsContact O-CB 3.31Å; I94-S98 WeakPolarHBondContact O-CB 3.47Å; I94-S98 PolarHBondContact O-N 3.35Å; I94-S98 PolarHBondContact O-OG 3.44Å; I94-L238 HydrophobicContact CD1-CB 4.28Å; I94-L238 HydrophobicContact CG1-CB 4.06Å
95V94.7Very high91.1Very high90 Ų9060.9 Ų60.955%0.54531%0.309SS..Hα-helixtrans-63.2-47.8177.3174.20000110.9V91 A92 S93 S98 F99V91-V95 WeakPolarHBondContact O-CG2 3.25Å; V91-V95 PolarHBondContact O-N 2.99Å; V91-V95 VanDerWaalsContact O-N 3.08Å; A92-V95 PolarHBondContact O-N 2.64Å; S93-V95 PolarHBondContact O-N 2.98Å; V95-S98 PolarHBondContact O-N 3.33Å; V95-F99 PolarHBondContact O-N 3.49Å
96F96.2Very high92.1Very high79 Ų7958.5 Ų58.535%0.34630%0.301SS..Hα-helixtrans-63.6-44177.1-79-70.7000112.3I68 F71 L75 A92 S93 S98 F99 G100I68-F96 HydrophobicContact CG2-CD1 4.46Å; I68-F96 VanDerWaalsContact CG2-O 3.23Å; I68-F96 WeakPolarHBondContact CG2-O 3.42Å; F71-F96 AromaticContact CD1-CD1 3.99Å; F71-F96 HydrophobicContact CD1-CD1 3.99Å; F71-F96 AromaticContact CD1-CD2 3.81Å; F71-F96 HydrophobicContact CD1-CD2 3.81Å; F71-F96 AromaticContact CD1-CE1 3.99Å; F71-F96 HydrophobicContact CD1-CE1 3.99Å; F71-F96 AromaticContact CD1-CE2 3.85Å; F71-F96 HydrophobicContact CD1-CE2 3.85Å; F71-F96 AromaticContact CD1-CG 3.91Å; F71-F96 HydrophobicContact CD1-CG 3.91Å; F71-F96 AromaticContact CD1-CZ 3.93Å; F71-F96 HydrophobicContact CD1-CZ 3.93Å; F71-F96 AromaticContact CE1-CD2 3.87Å; F71-F96 HydrophobicContact CE1-CD2 3.87Å; F71-F96 HydrophobicContact CE1-CE1 4.21Å; F71-F96 AromaticContact CE1-CE2 3.5Å; F71-F96 HydrophobicContact CE1-CE2 3.5Å; F71-F96 HydrophobicContact CE1-CG 4.41Å; F71-F96 AromaticContact CE1-CZ 3.69Å; F71-F96 HydrophobicContact CE1-CZ 3.69Å; L75-F96 HydrophobicContact CD1-CD2 3.98Å; L75-F96 HydrophobicContact CD1-CE2 4.21Å; A92-F96 WeakPolarHBondContact O-CD2 3.22Å; A92-F96 PolarHBondContact O-N 3.26Å; S93-F96 PolarHBondContact O-N 3.33Å; F96-S98 VanDerWaalsContact C-N 3.29Å; F96-S98 PolarHBondContact O-N 3.04Å; F96-F99 PolarHBondContact O-N 3.46Å; F96-G100 PolarHBondContact O-N 2.88Å
97I96.1Very high92.4Very high0 Ų056.5 Ų56.50%029%0.294CS..Hα-helixtrans-61.9-39.7177.3-69.3167.4000110.7L37 L69 S93 I94 G100 A101 G231 T234 A235 L238L37-I97 HydrophobicContact CD2-CD1 4.32Å; L37-I97 HydrophobicContact CD2-CG1 4.33Å; L37-I97 HydrophobicContact CD2-CG2 4.21Å; L69-I97 HydrophobicContact CD2-CG2 4.35Å; S93-I97 WeakPolarHBondContact O-CB 3.49Å; S93-I97 WeakPolarHBondContact O-CG1 3.26Å; S93-I97 PolarHBondContact O-N 2.96Å; I94-I97 PolarHBondContact O-N 2.91Å; I97-G100 PolarHBondContact O-N 3.35Å; I97-A101 WeakPolarHBondContact O-CB 3.4Å; I97-A101 PolarHBondContact O-N 2.9Å; I97-G231 WeakPolarHBondContact CG2-O 3.37Å; I97-T234 HydrophobicContact CD1-CG2 3.88Å; I97-A235 HydrophobicContact CG2-CB 4.25Å; I97-L238 HydrophobicContact CD1-CD1 3.83Å
98S95.9Very high92.8Very high54 Ų5448.6 Ų48.638%0.37827%0.267SS..Hα-helixtrans-66.9-47.2179-570000111.7I94 V95 F96 G100 A101 V102I94-S98 VanDerWaalsContact O-CB 3.31Å; I94-S98 WeakPolarHBondContact O-CB 3.47Å; I94-S98 PolarHBondContact O-N 3.35Å; I94-S98 PolarHBondContact O-OG 3.44Å; V95-S98 PolarHBondContact O-N 3.33Å; F96-S98 VanDerWaalsContact C-N 3.29Å; F96-S98 PolarHBondContact O-N 3.04Å; S98-G100 VanDerWaalsContact C-N 3.3Å; S98-G100 PolarHBondContact O-N 3.48Å; S98-A101 PolarHBondContact O-N 2.89Å; S98-V102 WeakPolarHBondContact O-CG2 3.39Å; S98-V102 PolarHBondContact O-N 2.83Å; S98-V102 VanDerWaalsContact O-N 3.1Å
99F95.6Very high92.8Very high131 Ų13145.5 Ų45.558%0.57525%0.254SS*.Hα-helixtrans-61.7-40.9175.1-178.6-116.9000111.6I68 V95 F96 A101 V102 A103I68-F99 HydrophobicContact CD1-CD1 3.64Å; I68-F99 HydrophobicContact CD1-CE1 3.35Å; I68-F99 HydrophobicContact CD1-CZ 4.37Å; I68-F99 HydrophobicContact CG1-CD1 4.17Å; I68-F99 HydrophobicContact CG1-CE1 4.18Å; I68-F99 HydrophobicContact CG2-CB 4.43Å; I68-F99 HydrophobicContact CG2-CD1 3.71Å; V95-F99 PolarHBondContact O-N 3.49Å; F96-F99 PolarHBondContact O-N 3.46Å; F99-A101 PolarHBondContact O-N 3.24Å; F99-V102 PolarHBondContact O-N 3.3Å; F99-A103 WeakPolarHBondContact O-CB 3.18Å; F99-A103 PolarHBondContact O-N 3.44Å
100G95.6Very high92.5Very high0 Ų046.9 Ų46.90%027%0.267CS..Hα-helixtrans-64.1-37.3175.900000113.2I68 F96 I97 S98 A103 A104I68-G100 VanDerWaalsContact CG2-CA 3.48Å; F96-G100 PolarHBondContact O-N 2.88Å; I97-G100 PolarHBondContact O-N 3.35Å; S98-G100 VanDerWaalsContact C-N 3.3Å; S98-G100 PolarHBondContact O-N 3.48Å; G100-A103 PolarHBondContact O-N 2.93Å; G100-A104 WeakPolarHBondContact O-CB 3.49Å; G100-A104 PolarHBondContact O-N 2.97Å
101A95.7Very high92.1Very high9 Ų947 Ų477%0.07427%0.267CS..Hα-helixtrans-66.3-42.3176.100000111.7I97 S98 F99 A104 F105 L228I97-A101 WeakPolarHBondContact O-CB 3.4Å; I97-A101 PolarHBondContact O-N 2.9Å; S98-A101 PolarHBondContact O-N 2.89Å; F99-A101 PolarHBondContact O-N 3.24Å; A101-A104 PolarHBondContact O-N 3.42Å; A101-F105 WeakPolarHBondContact O-CB 3.38Å; A101-F105 PolarHBondContact O-N 2.91Å; A101-L228 HydrophobicContact CB-CD1 4.08Å
102V95.2Very high91.6Very high90 Ų9045.5 Ų45.555%0.54526%0.263SS..Hα-helixtrans-63.1-45.2174.2176.50000110.6S98 F99 A104 F105 C106S98-V102 WeakPolarHBondContact O-CG2 3.39Å; S98-V102 PolarHBondContact O-N 2.83Å; S98-V102 VanDerWaalsContact O-N 3.1Å; F99-V102 PolarHBondContact O-N 3.3Å; V102-A104 VanDerWaalsContact C-N 3.34Å; V102-A104 PolarHBondContact O-N 3.33Å; V102-F105 PolarHBondContact O-N 2.98Å; V102-C106 PolarHBondContact O-N 3.29Å; V102-C106 PolarHBondContact O-SG 3.34Å; V102-C106 VanDerWaalsContact O-SG 3.37Å
103A93.5Very high90.8Very high18 Ų1847.1 Ų47.115%0.14927%0.268CS..Hα-helixtrans-59.7-44.3175.400000111.7P65 I68 F99 G100 F105 C106 C107P65-A103 HydrophobicContact CB-CB 4.11Å; I68-A103 HydrophobicContact CD1-CB 4.46Å; F99-A103 WeakPolarHBondContact O-CB 3.18Å; F99-A103 PolarHBondContact O-N 3.44Å; G100-A103 PolarHBondContact O-N 2.93Å; A103-F105 VanDerWaalsContact C-N 3.34Å; A103-F105 PolarHBondContact O-N 2.91Å; A103-C106 PolarHBondContact O-N 3.44Å; A103-C107 WeakPolarHBondContact O-CB 3.5Å; A103-C107 PolarHBondContact O-N 3.27Å; A103-C107 PolarHBondContact O-SG 2.84Å
104A92.9Very high89.5Confident0 Ų049.5 Ų49.50%028%0.279CS..Hα-helixtrans-63.3-39.2178.200000112P65 L69 G100 A101 V102 C107 A108P65-A104 HydrophobicContact CB-CB 3.9Å; L69-A104 HydrophobicContact CD1-CB 4.34Å; G100-A104 WeakPolarHBondContact O-CB 3.49Å; G100-A104 PolarHBondContact O-N 2.97Å; A101-A104 PolarHBondContact O-N 3.42Å; V102-A104 VanDerWaalsContact C-N 3.34Å; V102-A104 PolarHBondContact O-N 3.33Å; A104-C107 PolarHBondContact O-N 2.94Å; A104-A108 WeakPolarHBondContact O-CB 3.49Å; A104-A108 PolarHBondContact O-N 3.46Å
105F93.9Very high88.3Confident104 Ų10448.2 Ų48.246%0.45627%0.273SS..Hα-helixtrans-63.1-47.8174.6177.8-111.6000111.9A101 V102 A103 C107 A108 I109 L228A101-F105 WeakPolarHBondContact O-CB 3.38Å; A101-F105 PolarHBondContact O-N 2.91Å; V102-F105 PolarHBondContact O-N 2.98Å; A103-F105 VanDerWaalsContact C-N 3.34Å; A103-F105 PolarHBondContact O-N 2.91Å; F105-C107 VanDerWaalsContact C-N 3.34Å; F105-C107 PolarHBondContact O-N 3.16Å; F105-A108 PolarHBondContact O-N 2.93Å; F105-I109 HydrophobicContact CD1-CD1 4.11Å; F105-I109 HydrophobicContact CD2-CD1 4.45Å; F105-I109 HydrophobicContact CE1-CD1 3.6Å; F105-I109 HydrophobicContact CE2-CD1 3.99Å; F105-I109 HydrophobicContact CZ-CD1 3.55Å; F105-I109 WeakPolarHBondContact O-CG1 3.32Å; F105-I109 PolarHBondContact O-N 3.29Å; F105-I109 VanDerWaalsContact O-N 3.16Å; F105-L228 HydrophobicContact CB-CD1 4.2Å; F105-L228 HydrophobicContact CB-CD2 4.13Å; F105-L228 HydrophobicContact CD2-CD2 3.69Å; F105-L228 HydrophobicContact CG-CD2 4.32Å
106C90.3Very high86.8Confident67 Ų6747.7 Ų47.745%0.45328%0.278SS..Hα-helixtrans-60.9-43176-67.20000111.6V102 A103 I109 V110V102-C106 PolarHBondContact O-N 3.29Å; V102-C106 PolarHBondContact O-SG 3.34Å; V102-C106 VanDerWaalsContact O-SG 3.37Å; A103-C106 PolarHBondContact O-N 3.44Å; C106-I109 PolarHBondContact O-N 3.42Å; C106-V110 WeakPolarHBondContact O-CG2 3.14Å; C106-V110 PolarHBondContact O-N 3.45Å
107C88.5Confident85.1Confident18 Ų1853.1 Ų53.112%0.12230%0.297CS..Hα-helixtrans-62.7-43.3175.5-70.10000111.8P65 A103 A104 F105 I109 V110 D111P65-C107 HydrophobicContact CG-CB 4.28Å; A103-C107 WeakPolarHBondContact O-CB 3.5Å; A103-C107 PolarHBondContact O-N 3.27Å; A103-C107 PolarHBondContact O-SG 2.84Å; A104-C107 PolarHBondContact O-N 2.94Å; F105-C107 VanDerWaalsContact C-N 3.34Å; F105-C107 PolarHBondContact O-N 3.16Å; C107-I109 VanDerWaalsContact C-N 3.27Å; C107-I109 PolarHBondContact O-N 3.33Å; C107-V110 PolarHBondContact O-N 2.84Å; C107-D111 WeakPolarHBondContact O-CB 3.33Å; C107-D111 PolarHBondContact O-N 3.41Å
108A88.9Confident83.1Confident11 Ų1156.3 Ų56.39%0.09131%0.311CS..Hα-helixtrans-58.6-38.8177.400000112.6A104 F105 G112 N224 I225A104-A108 WeakPolarHBondContact O-CB 3.49Å; A104-A108 PolarHBondContact O-N 3.46Å; F105-A108 PolarHBondContact O-N 2.93Å; A108-G112 WeakPolarHBondContact O-CA 3.23Å; A108-G112 PolarHBondContact O-N 3.45Å; A108-N224 HydrophobicContact CB-CB 3.92Å; A108-I225 HydrophobicContact CB-CG1 4.08Å
109I87.3Confident81.1Confident85 Ų8554.6 Ų54.644%0.43630%0.298SS..Hα-helixtrans-70.1-50.9177.5-64.2169.1000110.6F105 C106 C107 G112 V113F105-I109 HydrophobicContact CD1-CD1 4.11Å; F105-I109 HydrophobicContact CD2-CD1 4.45Å; F105-I109 HydrophobicContact CE1-CD1 3.6Å; F105-I109 HydrophobicContact CE2-CD1 3.99Å; F105-I109 HydrophobicContact CZ-CD1 3.55Å; F105-I109 WeakPolarHBondContact O-CG1 3.32Å; F105-I109 PolarHBondContact O-N 3.29Å; F105-I109 VanDerWaalsContact O-N 3.16Å; C106-I109 PolarHBondContact O-N 3.42Å; C107-I109 VanDerWaalsContact C-N 3.27Å; C107-I109 PolarHBondContact O-N 3.33Å; I109-G112 PolarHBondContact O-N 3.49Å; I109-V113 HydrophobicContact CG2-CG2 4.33Å; I109-V113 WeakPolarHBondContact O-CB 3.17Å; I109-V113 VanDerWaalsContact O-CG2 3.27Å; I109-V113 WeakPolarHBondContact O-CG2 3.46Å; I109-V113 PolarHBondContact O-N 3.25Å
110V82.6Confident79Confident99 Ų9953.5 Ų53.560%0.630%0.298SS*.Hα-helixtrans-63.7-45.4-176.8175.40000110.7C106 C107 F114C106-V110 WeakPolarHBondContact O-CG2 3.14Å; C106-V110 PolarHBondContact O-N 3.45Å; C107-V110 PolarHBondContact O-N 2.84Å; V110-F114 WeakPolarHBondContact O-CB 3.17Å; V110-F114 PolarHBondContact O-N 3.44Å; V110-F114 VanDerWaalsContact O-N 3.09Å
111D80.7Confident77Confident11 Ų1154.5 Ų54.56%0.05930%0.303CS..Hα-helixtrans-68.6-38.8178.4-60.9-17000111.1V60 C107 F114 A115 N224V60-D111 WeakPolarHBondContact CG1-OD1 3.37Å; C107-D111 WeakPolarHBondContact O-CB 3.33Å; C107-D111 PolarHBondContact O-N 3.41Å; D111-F114 PolarHBondContact O-N 2.96Å; D111-A115 WeakPolarHBondContact O-CB 3.43Å; D111-A115 PolarHBondContact O-N 2.85Å; D111-N224 PolarHBondContact OD2-ND2 3.5Å
112G80.3Confident74.6Confident22 Ų2261.8 Ų61.823%0.22734%0.336CS..Hα-helixtrans-68.2-43.4179.300000113.3A108 I109 F114 A115 A116A108-G112 WeakPolarHBondContact O-CA 3.23Å; A108-G112 PolarHBondContact O-N 3.45Å; I109-G112 PolarHBondContact O-N 3.49Å; G112-F114 VanDerWaalsContact C-N 3.35Å; G112-A115 PolarHBondContact O-N 3.37Å; G112-A116 VanDerWaalsContact O-CB 3.29Å; G112-A116 WeakPolarHBondContact O-CB 3.15Å; G112-A116 PolarHBondContact O-N 3.41Å
113V76.2Confident72.5Confident68 Ų6858.4 Ų58.441%0.41232%0.316SS..Hα-helixtrans-65.6-40.5175.4172.90000110.5I109 A116 R117 W189I109-V113 HydrophobicContact CG2-CG2 4.33Å; I109-V113 WeakPolarHBondContact O-CB 3.17Å; I109-V113 VanDerWaalsContact O-CG2 3.27Å; I109-V113 WeakPolarHBondContact O-CG2 3.46Å; I109-V113 PolarHBondContact O-N 3.25Å; V113-A116 PolarHBondContact O-N 3Å; V113-R117 WeakPolarHBondContact O-CB 3.29Å; V113-R117 PolarHBondContact O-N 3.01Å; V113-R117 VanDerWaalsContact O-N 3.09Å; V113-W189 HydrophobicContact CG1-CH2 4.13Å
114F67.9Low70.5Confident51 Ų5159 Ų5922%0.22432%0.316CS..Hα-helixtrans-63.6-46.8176.2-171-93.8000111.6I58 V110 D111 G112 A116 H118 L217I58-F114 HydrophobicContact CD1-CE1 4.08Å; I58-F114 HydrophobicContact CD1-CE2 3.63Å; I58-F114 HydrophobicContact CD1-CZ 3.23Å; V110-F114 WeakPolarHBondContact O-CB 3.17Å; V110-F114 PolarHBondContact O-N 3.44Å; V110-F114 VanDerWaalsContact O-N 3.09Å; D111-F114 PolarHBondContact O-N 2.96Å; G112-F114 VanDerWaalsContact C-N 3.35Å; F114-A116 VanDerWaalsContact C-N 3.34Å; F114-A116 PolarHBondContact O-N 3.37Å; F114-H118 HydrophobicContact CD2-CB 4.47Å; F114-H118 AromaticContact CD2-CD2 3.99Å; F114-H118 HydrophobicContact CE2-CB 4.24Å; F114-H118 AromaticContact CE2-CD2 3.96Å; F114-H118 HydrophobicContact CZ-CB 4.28Å; F114-H118 WeakPolarHBondContact O-CB 3.46Å; F114-H118 PolarHBondContact O-N 3.1Å; F114-H118 VanDerWaalsContact O-N 3.11Å; F114-L217 HydrophobicContact CD1-CD2 3.51Å; F114-L217 HydrophobicContact CE1-CD2 3.9Å
115A66.6Low68.4Low6 Ų664.6 Ų64.65%0.0534%0.342CS..Hα-helixtrans-62.6-38.7177.800000112.9D111 G112D111-A115 WeakPolarHBondContact O-CB 3.43Å; D111-A115 PolarHBondContact O-N 2.85Å; G112-A115 PolarHBondContact O-N 3.37Å
116A64.1Low66.5Low79 Ų7961.7 Ų61.765%0.65334%0.337SS*.Hα-helixtrans-79.5-24.5-176.200000114.6G112 V113 F114G112-A116 VanDerWaalsContact O-CB 3.29Å; G112-A116 WeakPolarHBondContact O-CB 3.15Å; G112-A116 PolarHBondContact O-N 3.41Å; V113-A116 PolarHBondContact O-N 3Å; F114-A116 VanDerWaalsContact C-N 3.34Å; F114-A116 PolarHBondContact O-N 3.37Å
117R58.6Low64.7Low193 Ų19361.8 Ų61.873%0.72835%0.349SS*.Hα-helixtrans-108.3-19.5-174.5-69.7-68.2-173.9147-1.7114.7V113V113-R117 WeakPolarHBondContact O-CB 3.29Å; V113-R117 PolarHBondContact O-N 3.01Å; V113-R117 VanDerWaalsContact O-N 3.09Å
118H54.2Low63.3Low66 Ų6667.6 Ų67.631%0.30637%0.369SS..Hα-helixtrans-111.7-9.5-171.5-92.9-72.3000115.8F114F114-H118 HydrophobicContact CD2-CB 4.47Å; F114-H118 AromaticContact CD2-CD2 3.99Å; F114-H118 HydrophobicContact CE2-CB 4.24Å; F114-H118 AromaticContact CE2-CD2 3.96Å; F114-H118 HydrophobicContact CZ-CB 4.28Å; F114-H118 WeakPolarHBondContact O-CB 3.46Å; F114-H118 PolarHBondContact O-N 3.1Å; F114-H118 VanDerWaalsContact O-N 3.11Å
119I55.7Low62.3Low18 Ų1868.6 Ų68.69%0.09238%0.375CS..  trans-136.683.2-173.3-42.9177.8000111.2L121 Y201 Y214I119-L121 HydrophobicContact CB-CD1 4.33Å; I119-L121 HydrophobicContact CG2-CD1 3.42Å; I119-L121 VanDerWaalsContact CG2-CD1 3.42Å; I119-L121 PolarHBondContact O-N 2.98Å; I119-Y201 WeakPolarHBondContact CG2-OH 3.44Å; I119-Y214 HydrophobicContact CB-CD2 3.95Å; I119-Y214 HydrophobicContact CB-CE2 4.45Å; I119-Y214 HydrophobicContact CD1-CD2 4.2Å; I119-Y214 HydrophobicContact CG2-CD2 3.86Å; I119-Y214 HydrophobicContact CG2-CG 4.45Å
120D50.8Low61.2Low109 Ų10965.7 Ų65.758%0.58337%0.366SS*.  trans-75.6112.6164.2-88.4-36.4000109.3E122D120-E122 VanDerWaalsContact C-N 3.31Å
121L52.8Low60.3Low20 Ų2064.4 Ų64.411%0.10535%0.351CS..  trans-81.7-10.7179.1-95.577.7000113.5I119 L124 H125 V211 Y214I119-L121 HydrophobicContact CB-CD1 4.33Å; I119-L121 HydrophobicContact CG2-CD1 3.42Å; I119-L121 VanDerWaalsContact CG2-CD1 3.42Å; I119-L121 PolarHBondContact O-N 2.98Å; L121-L124 PolarHBondContact O-N 3.22Å; L121-L124 VanDerWaalsContact O-N 3.07Å; L121-H125 PolarHBondContact O-N 3.23Å; L121-V211 HydrophobicContact CD2-CG1 4.2Å; L121-Y214 HydrophobicContact CD1-CD1 3.52Å; L121-Y214 HydrophobicContact CD1-CD2 3.23Å; L121-Y214 HydrophobicContact CD1-CE1 3.84Å; L121-Y214 HydrophobicContact CD1-CE2 3.55Å; L121-Y214 HydrophobicContact CD1-CG 3.18Å; L121-Y214 HydrophobicContact CD2-CD1 3.41Å; L121-Y214 VanDerWaalsContact CD2-CD1 3.41Å; L121-Y214 HydrophobicContact CD2-CE1 3.85Å; L121-Y214 HydrophobicContact CD2-CG 3.87Å; L121-Y214 HydrophobicContact CG-CD1 4.12Å; L121-Y214 HydrophobicContact CG-CE1 4.44Å; L121-Y214 HydrophobicContact CG-CG 4.16Å
122E46.7Very low59.5Low163 Ų16365.3 Ų65.376%0.76236%0.355SS*.Hα-helixtrans-52.7-45.6-175.5-165.4174166.900114D120 L124D120-E122 VanDerWaalsContact C-N 3.31Å; E122-L124 PolarHBondContact O-N 2.9Å
123P49.4Very low58.1Low19 Ų1968 Ų6812%0.12337%0.371CS..Hα-helixtrans-72.3-25.7177.725.5-33000114C129 C159 L162P123-C129 PolarHBondContact O-SG 3.44Å; P123-C159 HydrophobicContact CB-CB 4.5Å; P123-L162 HydrophobicContact CB-CD1 4.1Å; P123-L162 HydrophobicContact CG-CD1 4.28Å
124L51.4Low57.2Low30 Ų3065.3 Ų65.316%0.15736%0.355CS..Hα-helixtrans-78.7-38.3-175.7-139.790.4000112.4L121 E122 A126 G127 C129 C207 V211L121-L124 PolarHBondContact O-N 3.22Å; L121-L124 VanDerWaalsContact O-N 3.07Å; E122-L124 PolarHBondContact O-N 2.9Å; L124-A126 VanDerWaalsContact C-N 3.26Å; L124-A126 PolarHBondContact O-N 3.49Å; L124-G127 PolarHBondContact O-N 2.97Å; L124-C129 HydrophobicContact CD1-CB 4.15Å; L124-C207 WeakPolarHBondContact CD2-O 3.47Å; L124-V211 HydrophobicContact CD2-CG2 3.19Å; L124-V211 HydrophobicContact CG-CG2 4.49Å
125H48.8Very low56.4Low117 Ų11771.6 Ų71.654%0.54239%0.391SS..Hα-helixtrans-73-17.3176.3-75.5159.7000113.7L121 G127L121-H125 PolarHBondContact O-N 3.23Å; H125-G127 PolarHBondContact O-N 3.22Å
126A54.9Low55.3Low43 Ų4373.7 Ų73.736%0.35541%0.405SS..THydrogen-bonded Turntrans-76.5-4.7176.600000113.8L124 R128L124-A126 VanDerWaalsContact C-N 3.26Å; L124-A126 PolarHBondContact O-N 3.49Å; A126-R128 VanDerWaalsContact C-N 3.27Å; A126-R128 HydrophobicContact CB-CG 4.43Å; A126-R128 VanDerWaalsContact CB-CZ 3.42Å; A126-R128 PolarHBondContact O-N 3.47Å
127G52.8Low54.6Low69 Ų6975.1 Ų75.171%0.71142%0.416SS*.THydrogen-bonded Turntrans71.118.6178.500000114.2L124 H125L124-G127 PolarHBondContact O-N 2.97Å; H125-G127 PolarHBondContact O-N 3.22Å
128R59Low54.2Low140 Ų14067.9 Ų67.953%0.52840%0.396SS..  trans-104.116.9-173.7-64.1-172.5-65.6-1149.7113.8A126 E161A126-R128 VanDerWaalsContact C-N 3.27Å; A126-R128 HydrophobicContact CB-CG 4.43Å; A126-R128 VanDerWaalsContact CB-CZ 3.42Å; A126-R128 PolarHBondContact O-N 3.47Å; R128-E161 IonicContact CZ-OE1 3.2Å; R128-E161 IonicContact CZ-OE2 3.17Å; R128-E161 IonicContact NE-OE1 3.1Å; R128-E161 PolarHBondContact NE-OE1 3.36Å; R128-E161 VanDerWaalsContact NE-OE1 3.1Å; R128-E161 IonicContact NE-OE2 2.68Å; R128-E161 PolarHBondContact NE-OE2 2.9Å; R128-E161 VanDerWaalsContact NH2-CD 3.3Å; R128-E161 IonicContact NH2-OE1 2.98Å; R128-E161 PolarHBondContact NH2-OE1 3.44Å; R128-E161 IonicContact NH2-OE2 2.83Å; R128-E161 PolarHBondContact NH2-OE2 2.9Å
129C67.6Low54.2Low33 Ų3370.8 Ų70.822%0.22341%0.409CS..EExtended strand (participates in β ladder)trans-111.9144.8179.8-53.30000111.1P123 L124 Y158 C159P123-C129 PolarHBondContact O-SG 3.44Å; L124-C129 HydrophobicContact CD1-CB 4.15Å; C129-Y158 CarbonylContact C-O 3.58Å; C129-Y158 WeakPolarHBondContact CA-O 3.34Å; C129-Y158 WeakPolarHBondContact CB-O 3.16Å; C129-C159 HydrophobicContact CB-CB 4.05Å; C129-C159 WeakPolarHBondContact CB-SG 3.4Å; C129-C159 WeakPolarHBondContact SG-CB 3.34Å; C129-C159 CovalentContact SG-SG 2.03Å; C129-C159 PolarHBondContact SG-SG 2.85Å
130G64.3Low54.2Low23 Ų2375.4 Ų75.424%0.23743%0.425CS..EExtended strand (participates in β ladder)trans-112.1149.9179.400000111.7Y158G130-Y158 PolarHBondContact N-O 3.31Å; G130-Y158 WeakPolarHBondContact O-CD1 3.3Å; G130-Y158 WeakPolarHBondContact O-CE1 3.29Å; G130-Y158 PolarHBondContact O-N 3.16Å
131Y62.9Low54.5Low73 Ų7375.6 Ų75.629%0.28642%0.423SS..EExtended strand (participates in β ladder)trans-109.7127.9174.3179.7-119.4000110.2S133 T156 V204 K205Y131-S133 WeakPolarHBondContact CD1-OG 3.48Å; Y131-S133 WeakPolarHBondContact CE1-OG 3.49Å; Y131-T156 WeakPolarHBondContact CD2-O 3.35Å; Y131-V204 WeakPolarHBondContact CE2-O 3.29Å; Y131-V204 PolarHBondContact OH-O 3.49Å; Y131-K205 WeakPolarHBondContact CE1-O 3.35Å; Y131-K205 VanDerWaalsContact CZ-C 3.49Å; Y131-K205 VanDerWaalsContact CZ-O 3.22Å; Y131-K205 WeakPolarHBondContact OH-CA 3.07Å; Y131-K205 PolarHBondContact OH-O 3.32Å
132L64.3Low55Low30 Ų3075.4 Ų75.416%0.15742%0.423CS..EExtended strand (participates in β ladder)trans-105.696.2175.6-174.866.3000110.7R140 V142 N155 T156 Y158L132-R140 HydrophobicContact CD2-CB 4.24Å; L132-V142 HydrophobicContact CD2-CG2 4.25Å; L132-N155 PolarHBondContact O-N 3.09Å; L132-T156 PolarHBondContact N-O 2.88Å; L132-T156 VanDerWaalsContact N-O 3.15Å; L132-Y158 HydrophobicContact CB-CE1 4.13Å
133S51.8Low55.7Low79 Ų7972.7 Ų72.755%0.55242%0.419SS*.  trans-74.5124.8165.3-54.20000109.7Y131Y131-S133 WeakPolarHBondContact CD1-OG 3.48Å; Y131-S133 WeakPolarHBondContact CE1-OG 3.49Å
134S56.3Low56.3Low10 Ų1072 Ų727%0.0742%0.415CS..  trans-150.7121.8169.4-173.60000111S136 R140 S154S134-S136 PolarHBondContact O-N 3.16Å; S134-S136 PolarHBondContact OG-O 2.9Å; S134-S136 PolarHBondContact OG-OG 3.31Å; S134-R140 PolarHBondContact OG-NH2 3.45Å; S134-S154 WeakPolarHBondContact O-CB 3.44Å
135D52.1Low56.6Low184 Ų18481.2 Ų81.298%0.98445%0.447SS*.SBendtrans-71.1-10.3178.3-95.9-25.2000113.9
136S43.5Very low57Low50 Ų5081.7 Ų81.735%0.3546%0.464SS..SBendtrans-103.1134.7174.159.80000110.6S134 S138 S154S134-S136 PolarHBondContact O-N 3.16Å; S134-S136 PolarHBondContact OG-O 2.9Å; S134-S136 PolarHBondContact OG-OG 3.31Å; S136-S138 PolarHBondContact O-N 2.96Å; S136-S138 PolarHBondContact OG-OG 3.38Å; S136-S154 PolarHBondContact O-OG 2.78Å
137A48.9Very low57Low108 Ų10885.1 Ų85.189%0.89349%0.486SS*.  trans-67.841.9172.100000112.9
138S49.8Very low57.6Low42 Ų4283 Ų8329%0.29446%0.459SS..  trans-101.8117.5178.657.60000108.5S136 R140S136-S138 PolarHBondContact O-N 2.96Å; S136-S138 PolarHBondContact OG-OG 3.38Å; S138-R140 PolarHBondContact O-N 2.9Å
139E53.7Low57.7Low126 Ų12682.8 Ų82.859%0.58946%0.462SS*.  trans-53.7131163.1-127.3175.8156.900108.9H151E139-H151 WeakPolarHBondContact CB-CE1 3.47Å; E139-H151 WeakPolarHBondContact CG-CE1 3.41Å; E139-H151 WeakPolarHBondContact CG-ND1 3.49Å; E139-H151 IonicContact OE1-CE1 3.18Å; E139-H151 PolarHBondContact OE1-CE1 3.45Å; E139-H151 VanDerWaalsContact OE1-CE1 3.27Å; E139-H151 IonicContact OE1-CG 2.83Å; E139-H151 IonicContact OE1-ND1 3.83Å; E139-H151 PolarHBondContact OE1-ND1 2.99Å; E139-H151 IonicContact OE2-CE1 2.74Å; E139-H151 PolarHBondContact OE2-CE1 3.09Å; E139-H151 IonicContact OE2-ND1 3.74Å
140R56.4Low57.5Low115 Ų11581.6 Ų81.643%0.43445%0.454SS..EExtended strand (participates in β ladder)trans-127.9139.8-178.2-74-171.9-175.51625.5111.1L132 S134 S138 V152L132-R140 HydrophobicContact CD2-CB 4.24Å; S134-R140 PolarHBondContact OG-NH2 3.45Å; S138-R140 PolarHBondContact O-N 2.9Å; R140-V152 PolarHBondContact N-O 2.99Å; R140-V152 PolarHBondContact O-N 3.46Å
141E56.4Low57.3Low114 Ų11484.6 Ų84.653%0.53346%0.461SS..EExtended strand (participates in β ladder)trans-76.6120.5170.3-70.5-176.6173.800110K149 L150E141-K149 HydrophobicContact CB-CB 4.5Å; E141-K149 WeakPolarHBondContact OE2-CD 3.43Å; E141-K149 WeakPolarHBondContact OE2-CE 3.43Å; E141-K149 IonicContact OE2-NZ 3.5Å; E141-K149 PolarHBondContact OE2-NZ 3Å; E141-L150 CarbonylContact C-O 3.51Å; E141-L150 WeakPolarHBondContact CA-O 3.35Å
142V63.6Low57.3Low16 Ų1681.2 Ų81.210%0.09745%0.448CS..EExtended strand (participates in β ladder)trans-104.3129.9171-176.30000109.3L132 C144 L150 V152 Y158L132-V142 HydrophobicContact CD2-CG2 4.25Å; V142-C144 PolarHBondContact O-N 3.05Å; V142-L150 PolarHBondContact N-O 3.18Å; V142-L150 PolarHBondContact O-N 3.3Å; V142-V152 HydrophobicContact CG2-CB 4.33Å; V142-V152 HydrophobicContact CG2-CG2 4.16Å; V142-Y158 HydrophobicContact CB-CE2 4.42Å; V142-Y158 HydrophobicContact CG1-CE1 4.49Å; V142-Y158 HydrophobicContact CG1-CE2 3.78Å; V142-Y158 WeakPolarHBondContact CG1-OH 3.39Å; V142-Y158 HydrophobicContact CG2-CE1 4.29Å
143P62Low56.8Low106 Ų10685.8 Ų85.869%0.68847%0.467SS*.EExtended strand (participates in β ladder)trans-73.1115.4173.528.9-31.9000111.4C148P143-C148 CarbonylContact C-O 3.59Å; P143-C148 VanDerWaalsContact CA-O 3.3Å; P143-C148 WeakPolarHBondContact CA-O 3.29Å
144C60.8Low57.1Low5 Ų582.9 Ų82.93%0.03445%0.447CS..  trans-109.289.5177.3-84.50000111.1V142 C148 C160V142-C144 PolarHBondContact O-N 3.05Å; C144-C148 HydrophobicContact CB-CB 4.31Å; C144-C148 PolarHBondContact N-O 3.19Å; C144-C148 WeakPolarHBondContact O-CB 3.35Å; C144-C160 VanDerWaalsContact CA-SG 3.54Å; C144-C160 HydrophobicContact CB-CB 3.57Å; C144-C160 WeakPolarHBondContact CB-SG 3.38Å; C144-C160 WeakPolarHBondContact SG-CB 3.39Å; C144-C160 CovalentContact SG-SG 2.04Å; C144-C160 PolarHBondContact SG-SG 3.31Å
145R58.8Low57.5Low222 Ų22285.1 Ų85.184%0.83846%0.458SS*.SBendtrans67.2155.6-162.7-57.2175.478.9177.73.5111.9S147 C148R145-S147 PolarHBondContact O-N 3.48Å; R145-C148 PolarHBondContact O-N 3.48Å
146S57.1Low58.1Low128 Ų12876.4 Ų76.490%0.89541%0.411SS*.THydrogen-bonded Turntrans-57.5-1.4-160.152.60000118.5
147S55.9Low59.3Low115 Ų11574 Ų7480%0.80440%0.395SS*.THydrogen-bonded Turntrans-143.318.4-177-52.30000114.3R145R145-S147 PolarHBondContact O-N 3.48Å
148C64.4Low60.1Low23 Ų2370.7 Ų70.716%0.15536%0.359CS..  trans-130.8122.8-165-86.80000110P143 C144 R145 C165P143-C148 CarbonylContact C-O 3.59Å; P143-C148 VanDerWaalsContact CA-O 3.3Å; P143-C148 WeakPolarHBondContact CA-O 3.29Å; C144-C148 HydrophobicContact CB-CB 4.31Å; C144-C148 PolarHBondContact N-O 3.19Å; C144-C148 WeakPolarHBondContact O-CB 3.35Å; R145-C148 PolarHBondContact O-N 3.48Å; C148-C165 VanDerWaalsContact CA-SG 3.52Å; C148-C165 HydrophobicContact CB-CB 4.07Å; C148-C165 WeakPolarHBondContact CB-SG 3.27Å; C148-C165 WeakPolarHBondContact SG-CB 3.35Å; C148-C165 CovalentContact SG-SG 1.98Å; C148-C165 PolarHBondContact SG-SG 2.98Å
149K61.2Low61Low137 Ų13769.5 Ų69.560%0.59635%0.35SS*.EExtended strand (participates in β ladder)trans-116110.9179-69167.2157.8-142.50108.3E141E141-K149 HydrophobicContact CB-CB 4.5Å; E141-K149 WeakPolarHBondContact OE2-CD 3.43Å; E141-K149 WeakPolarHBondContact OE2-CE 3.43Å; E141-K149 IonicContact OE2-NZ 3.5Å; E141-K149 PolarHBondContact OE2-NZ 3Å
150L63Low61.4Low8 Ų865.2 Ų65.24%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-92.3126.3173.6179.867.8000108E141 V142 V152 Y158 Y163E141-L150 CarbonylContact C-O 3.51Å; E141-L150 WeakPolarHBondContact CA-O 3.35Å; V142-L150 PolarHBondContact N-O 3.18Å; V142-L150 PolarHBondContact O-N 3.3Å; L150-V152 HydrophobicContact CB-CG2 4.2Å; L150-V152 HydrophobicContact CD2-CG2 3.49Å; L150-V152 VanDerWaalsContact CD2-CG2 3.49Å; L150-V152 HydrophobicContact CG-CG2 3.49Å; L150-V152 VanDerWaalsContact CG-CG2 3.49Å; L150-Y158 HydrophobicContact CD2-CD2 4.18Å; L150-Y158 HydrophobicContact CD2-CG 4.49Å; L150-Y163 HydrophobicContact CB-CD1 4.41Å; L150-Y163 HydrophobicContact CB-CE1 4.2Å; L150-Y163 HydrophobicContact CD1-CD1 4.37Å; L150-Y163 HydrophobicContact CD1-CD2 3.6Å; L150-Y163 HydrophobicContact CD1-CE1 4.11Å; L150-Y163 HydrophobicContact CD1-CE2 3.3Å; L150-Y163 HydrophobicContact CD1-CG 4.13Å
151H60.5Low61.5Low85 Ų8564.8 Ų64.839%0.39434%0.337SS..EExtended strand (participates in β ladder)trans-84120.3172.8-151.9-130.2000108.8E139E139-H151 WeakPolarHBondContact CB-CE1 3.47Å; E139-H151 WeakPolarHBondContact CG-CE1 3.41Å; E139-H151 WeakPolarHBondContact CG-ND1 3.49Å; E139-H151 IonicContact OE1-CE1 3.18Å; E139-H151 PolarHBondContact OE1-CE1 3.45Å; E139-H151 VanDerWaalsContact OE1-CE1 3.27Å; E139-H151 IonicContact OE1-CG 2.83Å; E139-H151 IonicContact OE1-ND1 3.83Å; E139-H151 PolarHBondContact OE1-ND1 2.99Å; E139-H151 IonicContact OE2-CE1 2.74Å; E139-H151 PolarHBondContact OE2-CE1 3.09Å; E139-H151 IonicContact OE2-ND1 3.74Å
152V62.3Low61.3Low2 Ų262.6 Ų62.61%0.01233%0.329CS..EExtended strand (participates in β ladder)trans-128.2136.5-172.1-177.60000109.3R140 V142 L150 T156 Y158R140-V152 PolarHBondContact N-O 2.99Å; R140-V152 PolarHBondContact O-N 3.46Å; V142-V152 HydrophobicContact CG2-CB 4.33Å; V142-V152 HydrophobicContact CG2-CG2 4.16Å; L150-V152 HydrophobicContact CB-CG2 4.2Å; L150-V152 HydrophobicContact CD2-CG2 3.49Å; L150-V152 VanDerWaalsContact CD2-CG2 3.49Å; L150-V152 HydrophobicContact CG-CG2 3.49Å; L150-V152 VanDerWaalsContact CG-CG2 3.49Å; V152-T156 HydrophobicContact CG1-CG2 4.49Å; V152-T156 WeakPolarHBondContact CG1-OG1 3.19Å; V152-Y158 HydrophobicContact CG1-CD1 4.04Å; V152-Y158 HydrophobicContact CG1-CG 4.46Å; V152-Y158 HydrophobicContact CG2-CD1 4.37Å; V152-Y158 HydrophobicContact CG2-CG 4.23Å
153K54.5Low60.9Low127 Ų12765.2 Ų65.255%0.55234%0.337SS*.  trans-75.2151.2175.3-167175179.8-178.50110.6T156 E200K153-T156 HydrophobicContact CB-CG2 4.06Å; K153-T156 WeakPolarHBondContact O-CB 3.3Å; K153-T156 WeakPolarHBondContact O-CG2 3.37Å; K153-T156 PolarHBondContact O-OG1 3.36Å; K153-E200 PolarHBondContact N-OE1 3.41Å
154S58.2Low60.6Low18 Ų1866.2 Ų66.213%0.12634%0.337CS..SBendtrans-60.3148.917551.40000112.5S134 S136S134-S154 WeakPolarHBondContact O-CB 3.44Å; S136-S154 PolarHBondContact O-OG 2.78Å
155N63.8Low60.3Low57 Ų5768.5 Ų68.531%0.30535%0.353SS..SBendtrans6247.6-177.8-57.2-17.5000113.7L132 D203 V204L132-N155 PolarHBondContact O-N 3.09Å; N155-D203 PolarHBondContact O-N 2.89Å; N155-V204 PolarHBondContact O-N 2.89Å
156T65.3Low59.9Low0 Ų061.8 Ų61.80%035%0.352CS..EExtended strand (participates in β ladder)trans-126.4143.8179550000110.7Y131 L132 V152 K153 E200 Y201 T202Y131-T156 WeakPolarHBondContact CD2-O 3.35Å; L132-T156 PolarHBondContact N-O 2.88Å; L132-T156 VanDerWaalsContact N-O 3.15Å; V152-T156 HydrophobicContact CG1-CG2 4.49Å; V152-T156 WeakPolarHBondContact CG1-OG1 3.19Å; K153-T156 HydrophobicContact CB-CG2 4.06Å; K153-T156 WeakPolarHBondContact O-CB 3.3Å; K153-T156 WeakPolarHBondContact O-CG2 3.37Å; K153-T156 PolarHBondContact O-OG1 3.36Å; T156-E200 HydrophobicContact CG2-CG 3.88Å; T156-E200 WeakPolarHBondContact CG2-OE1 3.01Å; T156-Y201 VanDerWaalsContact CA-O 3.3Å; T156-Y201 WeakPolarHBondContact CA-O 3.09Å; T156-T202 HydrophobicContact CG2-CG2 3.94Å
157C68.3Low59.3Low1 Ų165.6 Ų65.61%0.00735%0.347CS..EExtended strand (participates in β ladder)trans-95.4125.9165.2-175.70000108.4Y201 V204 C207C157-Y201 PolarHBondContact N-O 2.82Å; C157-V204 HydrophobicContact CB-CG2 4.36Å; C157-C207 HydrophobicContact CB-CB 3.97Å; C157-C207 WeakPolarHBondContact CB-SG 3.4Å; C157-C207 WeakPolarHBondContact SG-CB 3.48Å; C157-C207 CovalentContact SG-SG 2.02Å; C157-C207 PolarHBondContact SG-SG 3.04Å
158Y66.7Low58.6Low37 Ų3767.8 Ų67.815%0.14534%0.344CS..EExtended strand (participates in β ladder)trans-129.2149.3-178.468-86.1000111.5C129 G130 L132 V142 L150 V152C129-Y158 CarbonylContact C-O 3.58Å; C129-Y158 WeakPolarHBondContact CA-O 3.34Å; C129-Y158 WeakPolarHBondContact CB-O 3.16Å; G130-Y158 PolarHBondContact N-O 3.31Å; G130-Y158 WeakPolarHBondContact O-CD1 3.3Å; G130-Y158 WeakPolarHBondContact O-CE1 3.29Å; G130-Y158 PolarHBondContact O-N 3.16Å; L132-Y158 HydrophobicContact CB-CE1 4.13Å; V142-Y158 HydrophobicContact CB-CE2 4.42Å; V142-Y158 HydrophobicContact CG1-CE1 4.49Å; V142-Y158 HydrophobicContact CG1-CE2 3.78Å; V142-Y158 WeakPolarHBondContact CG1-OH 3.39Å; V142-Y158 HydrophobicContact CG2-CE1 4.29Å; L150-Y158 HydrophobicContact CD2-CD2 4.18Å; L150-Y158 HydrophobicContact CD2-CG 4.49Å; V152-Y158 HydrophobicContact CG1-CD1 4.04Å; V152-Y158 HydrophobicContact CG1-CG 4.46Å; V152-Y158 HydrophobicContact CG2-CD1 4.37Å; V152-Y158 HydrophobicContact CG2-CG 4.23Å
159C67.4Low57.5Low17 Ų1771.9 Ų71.912%0.11537%0.37CS..EExtended strand (participates in β ladder)trans-123.7116.9178.1-54.20000109.9P123 C129 E161P123-C159 HydrophobicContact CB-CB 4.5Å; C129-C159 HydrophobicContact CB-CB 4.05Å; C129-C159 WeakPolarHBondContact CB-SG 3.4Å; C129-C159 WeakPolarHBondContact SG-CB 3.34Å; C129-C159 CovalentContact SG-SG 2.03Å; C129-C159 PolarHBondContact SG-SG 2.85Å; C159-E161 VanDerWaalsContact C-N 3.3Å; C159-E161 PolarHBondContact O-N 3.44Å
160C63.8Low56.3Low36 Ų3672.1 Ų72.124%0.24338%0.377CS..G310 helixtrans-74.2-14.2-176.1-66.40000114.3C144 L162 Y163C144-C160 VanDerWaalsContact CA-SG 3.54Å; C144-C160 HydrophobicContact CB-CB 3.57Å; C144-C160 WeakPolarHBondContact CB-SG 3.38Å; C144-C160 WeakPolarHBondContact SG-CB 3.39Å; C144-C160 CovalentContact SG-SG 2.04Å; C144-C160 PolarHBondContact SG-SG 3.31Å; C160-L162 VanDerWaalsContact C-N 3.34Å; C160-L162 PolarHBondContact O-N 2.87Å; C160-Y163 PolarHBondContact O-N 3.25Å
161E56.8Low55Low106 Ų10679.7 Ų79.750%0.49542%0.415SS..G310 helixtrans-71.6-25.6-170.7-166.9170.4-155.500113.9R128 C159R128-E161 IonicContact CZ-OE1 3.2Å; R128-E161 IonicContact CZ-OE2 3.17Å; R128-E161 IonicContact NE-OE1 3.1Å; R128-E161 PolarHBondContact NE-OE1 3.36Å; R128-E161 VanDerWaalsContact NE-OE1 3.1Å; R128-E161 IonicContact NE-OE2 2.68Å; R128-E161 PolarHBondContact NE-OE2 2.9Å; R128-E161 VanDerWaalsContact NH2-CD 3.3Å; R128-E161 IonicContact NH2-OE1 2.98Å; R128-E161 PolarHBondContact NH2-OE1 3.44Å; R128-E161 IonicContact NH2-OE2 2.83Å; R128-E161 PolarHBondContact NH2-OE2 2.9Å; C159-E161 VanDerWaalsContact C-N 3.3Å; C159-E161 PolarHBondContact O-N 3.44Å
162L53.4Low53.7Low69 Ų6977.8 Ų77.836%0.36142%0.418SS..G310 helixtrans-91.2-8.5174.9-79.583.5000113.1P123 C160 N164 G197P123-L162 HydrophobicContact CB-CD1 4.1Å; P123-L162 HydrophobicContact CG-CD1 4.28Å; C160-L162 VanDerWaalsContact C-N 3.34Å; C160-L162 PolarHBondContact O-N 2.87Å; L162-N164 PolarHBondContact O-N 3.34Å; L162-G197 CarbonylContact C-O 3.22Å; L162-G197 WeakPolarHBondContact CB-O 3.35Å
163Y55.4Low52.8Low70 Ų7085.8 Ų85.828%0.27546%0.46SS..  trans-78.797.2-174.1-167.6-114.9000111.3L150 C160 C165 Y198L150-Y163 HydrophobicContact CB-CD1 4.41Å; L150-Y163 HydrophobicContact CB-CE1 4.2Å; L150-Y163 HydrophobicContact CD1-CD1 4.37Å; L150-Y163 HydrophobicContact CD1-CD2 3.6Å; L150-Y163 HydrophobicContact CD1-CE1 4.11Å; L150-Y163 HydrophobicContact CD1-CE2 3.3Å; L150-Y163 HydrophobicContact CD1-CG 4.13Å; C160-Y163 PolarHBondContact O-N 3.25Å; Y163-C165 WeakPolarHBondContact CD1-SG 3.42Å; Y163-C165 WeakPolarHBondContact CE1-SG 3.26Å; Y163-C165 PolarHBondContact O-N 2.83Å; Y163-Y198 HydrophobicContact CD2-CD1 4.42Å
164N55.6Low52.1Low127 Ų12788.2 Ų88.268%0.67947%0.473SS*.  trans-73.790.8170.5-82.4-36.9000110.2L162 G166L162-N164 PolarHBondContact O-N 3.34Å; N164-G166 PolarHBondContact O-N 3.38Å
165C54.5Low51.4Low54 Ų5491.9 Ų91.937%0.36549%0.492SS..THydrogen-bonded Turntrans-64.8124.9167.7-62.30000110.9C148 Y163C148-C165 VanDerWaalsContact CA-SG 3.52Å; C148-C165 HydrophobicContact CB-CB 4.07Å; C148-C165 WeakPolarHBondContact CB-SG 3.27Å; C148-C165 WeakPolarHBondContact SG-CB 3.35Å; C148-C165 CovalentContact SG-SG 1.98Å; C148-C165 PolarHBondContact SG-SG 2.98Å; Y163-C165 WeakPolarHBondContact CD1-SG 3.42Å; Y163-C165 WeakPolarHBondContact CE1-SG 3.26Å; Y163-C165 PolarHBondContact O-N 2.83Å
166G49.7Very low50.4Low80 Ų8096.8 Ų96.883%0.82551%0.51SS*.THydrogen-bonded Turntrans128.91.5177.900000114.6N164N164-G166 PolarHBondContact O-N 3.38Å
167R45.2Very low49.6Very low208 Ų208102.7 Ų102.779%0.78554%0.542SS*.  trans-120.999158.5-85.9-175.3-84.1-173.7-5.4108.6
168E41.5Very low48.5Very low162 Ų162106.8 Ų106.876%0.75757%0.567SS**  trans-49.9139.1150.2-71-172.7145.200107.4L170E168-L170 PolarHBondContact O-N 2.68Å
169P41.2Very low47.4Very low108 Ų108110 Ų11070%0.70159%0.586SS**  trans-65.985.9159.628-29.1000105.3M171P169-M171 PolarHBondContact O-N 3.1Å
170L34.3Very low46Very low142 Ų142116.4 Ų116.474%0.74361%0.612SS**  trans-6587.3176.6-154.5142.8000104.9E168 G172E168-L170 PolarHBondContact O-N 2.68Å; L170-G172 PolarHBondContact O-N 3.43Å
171M37.6Very low44.6Very low167 Ų167123.7 Ų123.782%0.82364%0.639SS**  trans-57.782.4154.3-111.6-131.5160.500104.4P169 L173P169-M171 PolarHBondContact O-N 3.1Å; M171-L173 PolarHBondContact O-N 3.21Å; M171-L173 VanDerWaalsContact O-N 3.14Å
172G32.1Very low43.7Very low46 Ų46126.7 Ų126.747%0.47465%0.651SS.*  trans-53.5121.8172.500000106.5L170 Q174L170-G172 PolarHBondContact O-N 3.43Å; G172-Q174 PolarHBondContact O-N 3.46Å
173L43.9Very low43.3Very low169 Ų169131.1 Ų131.189%0.88566%0.663SS**SBendtrans-63.862.6168.9-169.481.8000109.4M171M171-L173 PolarHBondContact O-N 3.21Å; M171-L173 VanDerWaalsContact O-N 3.14Å
174Q39Very low42.5Very low178 Ų178137.2 Ų137.283%0.83269%0.691SS**SBendtrans-150.8116.4165.9-124.9-17581.500110.1G172G172-Q174 PolarHBondContact O-N 3.46Å
175N43.7Very low41.6Very low96 Ų96136.9 Ų136.951%0.51370%0.699SS.*  trans81.972.1160.7-141.7-28.7000116.7D177 V178N175-D177 PolarHBondContact O-N 3.07Å; N175-V178 WeakPolarHBondContact OD1-CG2 3Å; N175-V178 PolarHBondContact OD1-N 3.3Å
176K43.1Very low40.7Very low159 Ų159138.7 Ų138.769%0.69171%0.712SS**THydrogen-bonded Turntrans-72.9-6.8170.8-75-177.8172.4172.60113.8
177D49.4Very low40Very low124 Ų124142.5 Ų142.566%0.66371%0.71SS**THydrogen-bonded Turntrans-104.3-26.1-166.9-57.2-52.6000113.7N175N175-D177 PolarHBondContact O-N 3.07Å
178V44.8Very low40Very low88 Ų88140.4 Ų140.453%0.53371%0.713SS.*THydrogen-bonded Turntrans-82.5-31.1176-1780000112.2N175 K180 K181N175-V178 WeakPolarHBondContact OD1-CG2 3Å; N175-V178 PolarHBondContact OD1-N 3.3Å; V178-K180 VanDerWaalsContact C-N 3.28Å; V178-K180 PolarHBondContact O-N 3.14Å; V178-K181 PolarHBondContact O-N 3.43Å
179L42.7Very low39.6Very low105 Ų105139.7 Ų139.755%0.5570%0.703SS.*Hα-helixtrans-76.5-9.7-178.9-159.268.3000114R183L179-R183 WeakPolarHBondContact O-CB 3.39Å
180K39Very low39Very low151 Ų151139.2 Ų139.266%0.65770%0.695SS**Hα-helixtrans-75.3-26.4170.8-82.9179.6-179.9171.10112.3V178V178-K180 VanDerWaalsContact C-N 3.28Å; V178-K180 PolarHBondContact O-N 3.14Å
181K32.8Very low39.2Very low188 Ų188142.1 Ų142.182%0.81770%0.696SS**Hα-helixtrans-82.3-30.1-176.4-143.3171.7-175.6179.40112.9V178V178-K181 PolarHBondContact O-N 3.43Å
182F39.6Very low39.3Very low170 Ų170137.3 Ų137.375%0.74668%0.683SS**Hα-helixtrans-86-16174.7-84.9-82.7000114.7K184F182-K184 VanDerWaalsContact C-N 3.29Å; F182-K184 PolarHBondContact O-N 3.28Å
183R43.6Very low39.5Very low162 Ų162142.6 Ų142.661%0.61170%0.695SS**THydrogen-bonded Turntrans-75.7-12-178-171.8177.1-81.1178.7-3.7114.1L179L179-R183 WeakPolarHBondContact O-CB 3.39Å
184K38.7Very low39.1Very low198 Ų198140 Ų14086%0.86169%0.686SS**THydrogen-bonded Turntrans-95.5-4.5-170.3-139.5168.5-174.41780115.3F182F182-K184 VanDerWaalsContact C-N 3.29Å; F182-K184 PolarHBondContact O-N 3.28Å
185S38Very low39Very low120 Ų120136.9 Ų136.984%0.83967%0.673SS**SBendtrans-1318.6-171.9-158.90000115.9
186S34.5Very low38.7Very low92 Ų92135.6 Ų135.664%0.64368%0.683SS**SBendtrans-131.7110.4176.8-161.70000111.2I188S186-I188 PolarHBondContact O-N 3.06Å
187M35.4Very low38.7Very low159 Ų159129.7 Ų129.778%0.78367%0.666SS**  trans-52.1127.7177.9-66.7176.8-139.500111.8W189M187-W189 PolarHBondContact O-N 3.45Å
188I45.6Very low38.5Very low165 Ų165129 Ų12985%0.84666%0.656SS**SBend44.9-4.8122.3-67.5161.4000120.8S186S186-I188 PolarHBondContact O-N 3.06Å
189W33.1Very low38.9Very low147 Ų147128.3 Ų128.356%0.55765%0.646SS**SBendtrans-119.6-1.8-169-106.192.6000116.4V113 M187V113-W189 HydrophobicContact CG1-CH2 4.13Å; M187-W189 PolarHBondContact O-N 3.45Å
190N29Very low39.5Very low97 Ų97126.6 Ų126.652%0.51964%0.635SS.*SBendtrans-113.45.6-177.8-77.1-75.6000114.4A192N190-A192 VanDerWaalsContact C-N 3.33Å; N190-A192 PolarHBondContact O-N 3.38Å
191R37Very low40.4Very low203 Ų203121.9 Ų121.977%0.76661%0.614SS**THydrogen-bonded Turntrans-76.7-21-173.8-148.9-179-177.1120.6-3.6113.5
192A39.4Very low41.5Very low67 Ų67116.4 Ų116.455%0.55460%0.596SS**THydrogen-bonded Turntrans-83.4-23.7-179.300000113.5N190N190-A192 VanDerWaalsContact C-N 3.33Å; N190-A192 PolarHBondContact O-N 3.38Å
193E36.3Very low42.1Very low157 Ų157112.5 Ų112.573%0.73458%0.583SS**THydrogen-bonded Turntrans-84.6-13.1-176.5-135170.1-165.200113.2
194V37.1Very low42.6Very low114 Ų114106 Ų10669%0.69156%0.561SS**SBendtrans-102.4-10.6-176.5-175.50000113
195M36.8Very low43.3Very low112 Ų112105.1 Ų105.155%0.55256%0.558SS**SBendtrans-103.991.3174.2-69.6-68.1138.500108.8G197M195-G197 PolarHBondContact O-N 3.43Å
196G36.2Very low44.4Very low70 Ų70101.7 Ų101.772%0.72253%0.533SS*.  trans-51.2122.6-178.400000113.5
197G44.2Very low45.7Very low34 Ų3498.3 Ų98.335%0.35151%0.509SS..SBendtrans75.538.6137.900000118.4L162 M195L162-G197 CarbonylContact C-O 3.22Å; L162-G197 WeakPolarHBondContact CB-O 3.35Å; M195-G197 PolarHBondContact O-N 3.43Å
198Y44Very low47Very low111 Ų11197 Ų9744%0.43550%0.501SS..  trans-149.9129.4155.262.7-81.9000111.4Y163 E200Y163-Y198 HydrophobicContact CD2-CD1 4.42Å; Y198-E200 HydrophobicContact CD2-CB 4.23Å; Y198-E200 HydrophobicContact CE2-CB 4.37Å
199H54Low47.9Very low73 Ų7390.8 Ų90.834%0.33847%0.47SS..  trans-90105.5171.6-68.4-86.3000108.3Y201H199-Y201 HydrophobicContact CB-CE2 3.97Å
200E54.7Low49.5Very low69 Ų6984.2 Ų84.232%0.32245%0.446SS..  trans-99.8111.1171.1-172.9180-177.800108.6K153 T156 Y198 T202K153-E200 PolarHBondContact N-OE1 3.41Å; T156-E200 HydrophobicContact CG2-CG 3.88Å; T156-E200 WeakPolarHBondContact CG2-OE1 3.01Å; Y198-E200 HydrophobicContact CD2-CB 4.23Å; Y198-E200 HydrophobicContact CE2-CB 4.37Å; E200-T202 HydrophobicContact CG-CG2 4.07Å
201Y58.8Low51.3Low52 Ų5280.6 Ų80.620%0.20443%0.428CS..EExtended strand (participates in β ladder)trans-91.9104.4169.7-62.4-83.9000107.9I119 T156 C157 H199 V204 V210I119-Y201 WeakPolarHBondContact CG2-OH 3.44Å; T156-Y201 VanDerWaalsContact CA-O 3.3Å; T156-Y201 WeakPolarHBondContact CA-O 3.09Å; C157-Y201 PolarHBondContact N-O 2.82Å; H199-Y201 HydrophobicContact CB-CE2 3.97Å; Y201-V204 VanDerWaalsContact O-CG2 3.32Å; Y201-V204 WeakPolarHBondContact O-CG2 3.42Å; Y201-V210 HydrophobicContact CD1-CG1 3.67Å; Y201-V210 HydrophobicContact CD1-CG2 4.33Å; Y201-V210 HydrophobicContact CD2-CG1 3.9Å; Y201-V210 HydrophobicContact CD2-CG2 4.26Å; Y201-V210 HydrophobicContact CE1-CG1 3.62Å; Y201-V210 HydrophobicContact CE2-CG1 3.86Å; Y201-V210 HydrophobicContact CG-CG1 3.81Å; Y201-V210 HydrophobicContact CG-CG2 3.9Å
202T54.3Low52.9Low73 Ų7376 Ų7645%0.44841%0.414SS..EExtended strand (participates in β ladder)trans-82.6144.4177.658.60000111.5T156 E200T156-T202 HydrophobicContact CG2-CG2 3.94Å; E200-T202 HydrophobicContact CG-CG2 4.07Å
203D52.8Low54.5Low88 Ų8874.5 Ų74.547%0.47140%0.397SS..SBendtrans73.337.3171.4-157.143.5000115.3Q56 N155Q56-D203 VanDerWaalsContact CD-OD2 3.24Å; Q56-D203 PolarHBondContact NE2-OD2 3.27Å; N155-D203 PolarHBondContact O-N 2.89Å
204V54.2Low56.4Low25 Ų2569.7 Ų69.715%0.15237%0.373CS..  trans-107.1143.2174.4-99.70000111.2Y131 N155 C157 Y201 D209 V210Y131-V204 WeakPolarHBondContact CE2-O 3.29Å; Y131-V204 PolarHBondContact OH-O 3.49Å; N155-V204 PolarHBondContact O-N 2.89Å; C157-V204 HydrophobicContact CB-CG2 4.36Å; Y201-V204 VanDerWaalsContact O-CG2 3.32Å; Y201-V204 WeakPolarHBondContact O-CG2 3.42Å; V204-D209 HydrophobicContact CG1-CB 3.95Å; V204-V210 HydrophobicContact CB-CG2 4.39Å; V204-V210 HydrophobicContact CG1-CG2 3.79Å; V204-V210 HydrophobicContact CG2-CG2 4.1Å
205K54Low58.4Low180 Ų18069.7 Ų69.778%0.78336%0.361SS*.SBendtrans-80.5-19.9176.3-65.5-177.3178.81790112.6Y131Y131-K205 WeakPolarHBondContact CE1-O 3.35Å; Y131-K205 VanDerWaalsContact CZ-C 3.49Å; Y131-K205 VanDerWaalsContact CZ-O 3.22Å; Y131-K205 WeakPolarHBondContact OH-CA 3.07Å; Y131-K205 PolarHBondContact OH-O 3.32Å
206S60.1Low60.5Low47 Ų4766.2 Ų66.233%0.32934%0.344SS..  trans-160.7150.8174.1176.30000110.4Q208 D209S206-Q208 PolarHBondContact O-N 3.38Å; S206-Q208 VanDerWaalsContact O-N 3.1Å; S206-Q208 PolarHBondContact OG-N 2.96Å; S206-D209 PolarHBondContact N-OD2 2.91Å; S206-D209 WeakPolarHBondContact O-CB 3.39Å; S206-D209 PolarHBondContact O-N 3.47Å
207C62.1Low62.5Low21 Ų2163.8 Ų63.814%0.14232%0.315CS..Hα-helixtrans-54-26.7170.2-68.90000112.9L124 C157 D209 V210L124-C207 WeakPolarHBondContact CD2-O 3.47Å; C157-C207 HydrophobicContact CB-CB 3.97Å; C157-C207 WeakPolarHBondContact CB-SG 3.4Å; C157-C207 WeakPolarHBondContact SG-CB 3.48Å; C157-C207 CovalentContact SG-SG 2.02Å; C157-C207 PolarHBondContact SG-SG 3.04Å; C207-D209 VanDerWaalsContact C-N 3.3Å; C207-D209 PolarHBondContact O-N 2.86Å; C207-V210 WeakPolarHBondContact O-CB 2.99Å; C207-V210 PolarHBondContact O-N 3.42Å
208Q62.4Low64.4Low131 Ų13169.5 Ų69.561%0.61233%0.326SS*.Hα-helixtrans-69.4-25.2178.1-167.4164.7-3700113.3S206 V210 V211 H212S206-Q208 PolarHBondContact O-N 3.38Å; S206-Q208 VanDerWaalsContact O-N 3.1Å; S206-Q208 PolarHBondContact OG-N 2.96Å; Q208-V210 VanDerWaalsContact C-N 3.27Å; Q208-V210 PolarHBondContact O-N 2.88Å; Q208-V211 PolarHBondContact O-N 3.44Å; Q208-H212 PolarHBondContact O-N 2.83Å; Q208-H212 VanDerWaalsContact O-N 3.14Å
209D65.9Low66.4Low35 Ų3566.4 Ų66.419%0.18732%0.32CS..Hα-helixtrans-67.2-30.1175.5-73.9-47.8000111.9R54 V204 S206 C207 H212 L213R54-D209 IonicContact CZ-OD1 3.94Å; R54-D209 IonicContact NH1-OD1 3.27Å; R54-D209 PolarHBondContact NH1-OD1 3.41Å; R54-D209 IonicContact NH1-OD2 2.79Å; R54-D209 PolarHBondContact NH1-OD2 3.35Å; R54-D209 IonicContact NH2-OD1 3.57Å; V204-D209 HydrophobicContact CG1-CB 3.95Å; S206-D209 PolarHBondContact N-OD2 2.91Å; S206-D209 WeakPolarHBondContact O-CB 3.39Å; S206-D209 PolarHBondContact O-N 3.47Å; C207-D209 VanDerWaalsContact C-N 3.3Å; C207-D209 PolarHBondContact O-N 2.86Å; D209-H212 PolarHBondContact O-N 3.28Å; D209-L213 WeakPolarHBondContact O-CB 3.33Å; D209-L213 PolarHBondContact O-N 3.1Å
210V65.4Low68Low9 Ų963.6 Ų63.66%0.05531%0.309CS..Hα-helixtrans-68.3-41.5177.5-175.60000110.8Y201 V204 C207 Q208 L213 Y214Y201-V210 HydrophobicContact CD1-CG1 3.67Å; Y201-V210 HydrophobicContact CD1-CG2 4.33Å; Y201-V210 HydrophobicContact CD2-CG1 3.9Å; Y201-V210 HydrophobicContact CD2-CG2 4.26Å; Y201-V210 HydrophobicContact CE1-CG1 3.62Å; Y201-V210 HydrophobicContact CE2-CG1 3.86Å; Y201-V210 HydrophobicContact CG-CG1 3.81Å; Y201-V210 HydrophobicContact CG-CG2 3.9Å; V204-V210 HydrophobicContact CB-CG2 4.39Å; V204-V210 HydrophobicContact CG1-CG2 3.79Å; V204-V210 HydrophobicContact CG2-CG2 4.1Å; C207-V210 WeakPolarHBondContact O-CB 2.99Å; C207-V210 PolarHBondContact O-N 3.42Å; Q208-V210 VanDerWaalsContact C-N 3.27Å; Q208-V210 PolarHBondContact O-N 2.88Å; V210-L213 PolarHBondContact O-N 3.29Å; V210-Y214 PolarHBondContact O-N 2.83Å
211V68.4Low69.6Low22 Ų2261 Ų6113%0.13330%0.299CS..Hα-helixtrans-62.7-45.4174.9-177.60000110.6L121 L124 Q208 L213 Y214 Y215L121-V211 HydrophobicContact CD2-CG1 4.2Å; L124-V211 HydrophobicContact CD2-CG2 3.19Å; L124-V211 HydrophobicContact CG-CG2 4.49Å; Q208-V211 PolarHBondContact O-N 3.44Å; V211-L213 VanDerWaalsContact C-N 3.32Å; V211-L213 PolarHBondContact O-N 3.05Å; V211-Y214 WeakPolarHBondContact O-CB 3.34Å; V211-Y214 PolarHBondContact O-N 3.5Å; V211-Y215 HydrophobicContact CG1-CD2 3.74Å; V211-Y215 HydrophobicContact CG1-CE2 3.4Å; V211-Y215 WeakPolarHBondContact O-CD2 3.44Å; V211-Y215 PolarHBondContact O-N 3.23Å
212H70.7Confident71.2Confident106 Ų10664.3 Ų64.349%0.49131%0.314SS..Hα-helixtrans-60.9-42.2175.4-92.1-72.6000111.9Q208 D209 Y214 Y215 L216Q208-H212 PolarHBondContact O-N 2.83Å; Q208-H212 VanDerWaalsContact O-N 3.14Å; D209-H212 PolarHBondContact O-N 3.28Å; H212-Y214 PolarHBondContact O-N 3.11Å; H212-Y215 PolarHBondContact O-N 3.32Å; H212-L216 WeakPolarHBondContact O-CB 3.44Å; H212-L216 WeakPolarHBondContact O-CG 3.47Å; H212-L216 PolarHBondContact O-N 3.38Å
213L72.8Confident73Confident36 Ų3661.8 Ų61.819%0.18830%0.298CS..Hα-helixtrans-61.2-43.6176.5-173.463.7000111.5R54 T55 D209 V210 V211 Y215 L216 L217R54-L213 HydrophobicContact CB-CD1 4.32Å; T55-L213 HydrophobicContact CG2-CD1 4.2Å; T55-L213 HydrophobicContact CG2-CD2 3.68Å; D209-L213 WeakPolarHBondContact O-CB 3.33Å; D209-L213 PolarHBondContact O-N 3.1Å; V210-L213 PolarHBondContact O-N 3.29Å; V211-L213 VanDerWaalsContact C-N 3.32Å; V211-L213 PolarHBondContact O-N 3.05Å; L213-Y215 PolarHBondContact O-N 2.02Å; L213-L216 WeakPolarHBondContact O-CB 3.21Å; L213-L216 PolarHBondContact O-N 3.02Å; L213-L216 VanDerWaalsContact O-N 3.16Å; L213-L217 HydrophobicContact CD1-CD1 3.64Å; L213-L217 HydrophobicContact CG-CD1 3.69Å; L213-L217 WeakPolarHBondContact O-CD1 3.37Å; L213-L217 PolarHBondContact O-N 2.99Å
214Y74.5Confident75Confident56 Ų5657.7 Ų57.722%0.2228%0.276CS..Hα-helixtrans-57.5-49.4174.4173.5-99.9000112.7I119 L121 V210 V211 H212 L216 L217 W218I119-Y214 HydrophobicContact CB-CD2 3.95Å; I119-Y214 HydrophobicContact CB-CE2 4.45Å; I119-Y214 HydrophobicContact CD1-CD2 4.2Å; I119-Y214 HydrophobicContact CG2-CD2 3.86Å; I119-Y214 HydrophobicContact CG2-CG 4.45Å; L121-Y214 HydrophobicContact CD1-CD1 3.52Å; L121-Y214 HydrophobicContact CD1-CD2 3.23Å; L121-Y214 HydrophobicContact CD1-CE1 3.84Å; L121-Y214 HydrophobicContact CD1-CE2 3.55Å; L121-Y214 HydrophobicContact CD1-CG 3.18Å; L121-Y214 HydrophobicContact CD2-CD1 3.41Å; L121-Y214 VanDerWaalsContact CD2-CD1 3.41Å; L121-Y214 HydrophobicContact CD2-CE1 3.85Å; L121-Y214 HydrophobicContact CD2-CG 3.87Å; L121-Y214 HydrophobicContact CG-CD1 4.12Å; L121-Y214 HydrophobicContact CG-CE1 4.44Å; L121-Y214 HydrophobicContact CG-CG 4.16Å; V210-Y214 PolarHBondContact O-N 2.83Å; V211-Y214 WeakPolarHBondContact O-CB 3.34Å; V211-Y214 PolarHBondContact O-N 3.5Å; H212-Y214 PolarHBondContact O-N 3.11Å; Y214-L216 VanDerWaalsContact C-N 3.26Å; Y214-L216 PolarHBondContact O-N 2.03Å; Y214-L217 PolarHBondContact O-N 3.31Å; Y214-W218 PolarHBondContact O-N 3.43Å
215Y80.8Confident76.9Confident114 Ų11459.9 Ų59.945%0.44729%0.286SS..Hα-helixtrans-62.7-35.2177-74.4-61.4000112V211 H212 L213 S219V211-Y215 HydrophobicContact CG1-CD2 3.74Å; V211-Y215 HydrophobicContact CG1-CE2 3.4Å; V211-Y215 WeakPolarHBondContact O-CD2 3.44Å; V211-Y215 PolarHBondContact O-N 3.23Å; H212-Y215 PolarHBondContact O-N 3.32Å; L213-Y215 PolarHBondContact O-N 2.02Å; Y215-S219 WeakPolarHBondContact O-CB 3.02Å; Y215-S219 PolarHBondContact O-N 3.46Å; Y215-S219 PolarHBondContact O-OG 3.35Å
216L80Confident78.9Confident38 Ų3853.3 Ų53.320%0.19926%0.261CS..Hα-helixtrans-64.2-44174.4-72.9167.8000111.9F47 H212 L213 Y214 A220F47-L216 HydrophobicContact CD1-CD2 3.33Å; F47-L216 HydrophobicContact CE1-CD2 3.65Å; F47-L216 HydrophobicContact CG-CD2 4.38Å; H212-L216 WeakPolarHBondContact O-CB 3.44Å; H212-L216 WeakPolarHBondContact O-CG 3.47Å; H212-L216 PolarHBondContact O-N 3.38Å; L213-L216 WeakPolarHBondContact O-CB 3.21Å; L213-L216 PolarHBondContact O-N 3.02Å; L213-L216 VanDerWaalsContact O-N 3.16Å; Y214-L216 VanDerWaalsContact C-N 3.26Å; Y214-L216 PolarHBondContact O-N 2.03Å; L216-A220 VanDerWaalsContact O-CB 3.29Å; L216-A220 WeakPolarHBondContact O-CB 3.48Å; L216-A220 PolarHBondContact O-N 3.04Å
217L78.9Confident80.6Confident19 Ų1951.1 Ų51.110%0.09925%0.245CC..Hα-helixtrans-64.6-47.4177.2-88.780.7000111.5F114 L213 Y214 S219 A220 T221F114-L217 HydrophobicContact CD1-CD2 3.51Å; F114-L217 HydrophobicContact CE1-CD2 3.9Å; L213-L217 HydrophobicContact CD1-CD1 3.64Å; L213-L217 HydrophobicContact CG-CD1 3.69Å; L213-L217 WeakPolarHBondContact O-CD1 3.37Å; L213-L217 PolarHBondContact O-N 2.99Å; Y214-L217 PolarHBondContact O-N 3.31Å; L217-S219 VanDerWaalsContact C-N 3.32Å; L217-S219 PolarHBondContact O-N 3.12Å; L217-A220 WeakPolarHBondContact O-CB 3.2Å; L217-A220 PolarHBondContact O-N 3.07Å; L217-A220 VanDerWaalsContact O-N 3.16Å; L217-T221 PolarHBondContact O-N 3.19Å; L217-T221 PolarHBondContact O-OG1 2.98Å; L217-T221 VanDerWaalsContact O-OG1 3.05Å
218W84Confident82.2Confident155 Ų15551.6 Ų51.659%0.58725%0.247SC*.Hα-helixtrans-65.5-38.5179.8-155.678000111.8Y214 T221 F222Y214-W218 PolarHBondContact O-N 3.43Å; W218-T221 PolarHBondContact O-N 3.38Å; W218-F222 PolarHBondContact O-N 3.18Å
219S86.1Confident83.8Confident45 Ų4551.3 Ų51.332%0.31524%0.244SC..Hα-helixtrans-63.4-41.5172.4-60.30000111.6Y215 L217 F222 L223Y215-S219 WeakPolarHBondContact O-CB 3.02Å; Y215-S219 PolarHBondContact O-N 3.46Å; Y215-S219 PolarHBondContact O-OG 3.35Å; L217-S219 VanDerWaalsContact C-N 3.32Å; L217-S219 PolarHBondContact O-N 3.12Å; S219-F222 PolarHBondContact O-N 3.5Å; S219-L223 WeakPolarHBondContact O-CB 3.43Å; S219-L223 VanDerWaalsContact O-CG 3.25Å; S219-L223 WeakPolarHBondContact O-CG 3.32Å; S219-L223 PolarHBondContact O-N 3.21Å
220A86.8Confident85.2Confident14 Ų1451.4 Ų51.412%0.11624%0.244CC..Hα-helixtrans-63.8-43.2176.300000111.6L216 L217 F222 L223 N224L216-A220 VanDerWaalsContact O-CB 3.29Å; L216-A220 WeakPolarHBondContact O-CB 3.48Å; L216-A220 PolarHBondContact O-N 3.04Å; L217-A220 WeakPolarHBondContact O-CB 3.2Å; L217-A220 PolarHBondContact O-N 3.07Å; L217-A220 VanDerWaalsContact O-N 3.16Å; A220-F222 PolarHBondContact O-N 3.04Å; A220-L223 PolarHBondContact O-N 3.46Å; A220-N224 WeakPolarHBondContact O-CB 2.81Å; A220-N224 PolarHBondContact O-N 3.49Å; A220-N224 PolarHBondContact O-ND2 3.41Å
221T88.5Confident86.7Confident16 Ų1651 Ų5110%0.09824%0.242CC..Hα-helixtrans-58.5-47.8173.3-52.20000111.1L217 W218 L223 N224 I225L217-T221 PolarHBondContact O-N 3.19Å; L217-T221 PolarHBondContact O-OG1 2.98Å; L217-T221 VanDerWaalsContact O-OG1 3.05Å; W218-T221 PolarHBondContact O-N 3.38Å; T221-L223 PolarHBondContact O-N 2.69Å; T221-N224 PolarHBondContact O-N 3.36Å; T221-I225 HydrophobicContact CG2-CD1 4.21Å; T221-I225 WeakPolarHBondContact O-CG1 3.3Å; T221-I225 PolarHBondContact O-N 3.2Å
222F91.8Very high88Confident120 Ų12054.6 Ų54.653%0.52626%0.259SS..Hα-helixtrans-60.9-45.4178-177.8-97.9000112W218 S219 A220 N224 I225 V226W218-F222 PolarHBondContact O-N 3.18Å; S219-F222 PolarHBondContact O-N 3.5Å; A220-F222 PolarHBondContact O-N 3.04Å; F222-N224 PolarHBondContact O-N 3.25Å; F222-I225 PolarHBondContact O-N 2.82Å; F222-V226 HydrophobicContact CD1-CG2 4.08Å; F222-V226 HydrophobicContact CE1-CG2 3.66Å; F222-V226 HydrophobicContact CE2-CG2 4.42Å; F222-V226 HydrophobicContact CZ-CG2 3.85Å; F222-V226 WeakPolarHBondContact O-CG2 2.92Å; F222-V226 PolarHBondContact O-N 3.3Å
223L93.5Very high89.1Confident21 Ų2153.6 Ų53.611%0.1126%0.256CS..Hα-helixtrans-63.4-39.5177.5-72.8167.2000112.2V40 L43 I44 F47 S219 A220 T221 I225 V226 A227V40-L223 HydrophobicContact CG1-CD2 4.3Å; L43-L223 HydrophobicContact CB-CD1 4.07Å; L43-L223 HydrophobicContact CB-CD2 4.37Å; L43-L223 HydrophobicContact CD1-CD2 4.3Å; I44-L223 HydrophobicContact CD1-CB 4.28Å; I44-L223 HydrophobicContact CG1-CB 3.66Å; F47-L223 HydrophobicContact CD2-CD1 3.3Å; F47-L223 HydrophobicContact CE2-CD1 3.58Å; F47-L223 HydrophobicContact CG-CD1 4.49Å; S219-L223 WeakPolarHBondContact O-CB 3.43Å; S219-L223 VanDerWaalsContact O-CG 3.25Å; S219-L223 WeakPolarHBondContact O-CG 3.32Å; S219-L223 PolarHBondContact O-N 3.21Å; A220-L223 PolarHBondContact O-N 3.46Å; T221-L223 PolarHBondContact O-N 2.69Å; L223-I225 VanDerWaalsContact C-N 3.34Å; L223-I225 PolarHBondContact O-N 2.9Å; L223-V226 PolarHBondContact O-N 3.24Å; L223-A227 VanDerWaalsContact O-CB 3.22Å; L223-A227 WeakPolarHBondContact O-CB 3.3Å; L223-A227 PolarHBondContact O-N 3.42Å
224N93.9Very high90Very high1 Ų151.9 Ų51.91%0.00525%0.247CC..Hα-helixtrans-62.8-39.3175-80.7-38.4000111.9A108 D111 A220 T221 F222 A227 L228A108-N224 HydrophobicContact CB-CB 3.92Å; D111-N224 PolarHBondContact OD2-ND2 3.5Å; A220-N224 WeakPolarHBondContact O-CB 2.81Å; A220-N224 PolarHBondContact O-N 3.49Å; A220-N224 PolarHBondContact O-ND2 3.41Å; T221-N224 PolarHBondContact O-N 3.36Å; F222-N224 PolarHBondContact O-N 3.25Å; N224-A227 PolarHBondContact O-N 2.04Å; N224-L228 WeakPolarHBondContact O-CB 3.06Å; N224-L228 PolarHBondContact O-N 3.32Å
225I94.4Very high90.9Very high72 Ų7250.1 Ų50.137%0.36924%0.244SC..Hα-helixtrans-64.7-48.2173.9-65.2166.3000110.5A108 T221 F222 L223 A227 L228 F229A108-I225 HydrophobicContact CB-CG1 4.08Å; T221-I225 HydrophobicContact CG2-CD1 4.21Å; T221-I225 WeakPolarHBondContact O-CG1 3.3Å; T221-I225 PolarHBondContact O-N 3.2Å; F222-I225 PolarHBondContact O-N 2.82Å; L223-I225 VanDerWaalsContact C-N 3.34Å; L223-I225 PolarHBondContact O-N 2.9Å; I225-A227 VanDerWaalsContact C-N 3.29Å; I225-A227 PolarHBondContact O-N 3.04Å; I225-L228 WeakPolarHBondContact O-CB 3.1Å; I225-L228 PolarHBondContact O-N 3.32Å; I225-F229 HydrophobicContact CG2-CD2 3.88Å; I225-F229 HydrophobicContact CG2-CE2 3.56Å; I225-F229 WeakPolarHBondContact O-CD2 2.77Å; I225-F229 PolarHBondContact O-N 2.89Å; I225-F229 VanDerWaalsContact O-N 3.16Å
226V96.2Very high91.4Very high42 Ų4247.9 Ų47.926%0.25525%0.25SC..Hα-helixtrans-60.1-41.3177171.70000111.1V40 F222 L223 F229 L230V40-V226 HydrophobicContact CG1-CG1 4.45Å; V40-V226 HydrophobicContact CG2-CG1 4.26Å; F222-V226 HydrophobicContact CD1-CG2 4.08Å; F222-V226 HydrophobicContact CE1-CG2 3.66Å; F222-V226 HydrophobicContact CE2-CG2 4.42Å; F222-V226 HydrophobicContact CZ-CG2 3.85Å; F222-V226 WeakPolarHBondContact O-CG2 2.92Å; F222-V226 PolarHBondContact O-N 3.3Å; L223-V226 PolarHBondContact O-N 3.24Å; V226-F229 PolarHBondContact O-N 3.32Å; V226-L230 HydrophobicContact CG1-CD1 3.72Å; V226-L230 HydrophobicContact CG1-CG 4.22Å; V226-L230 WeakPolarHBondContact O-CB 3.36Å; V226-L230 WeakPolarHBondContact O-CG 3.18Å; V226-L230 PolarHBondContact O-N 3.23Å
227A95.4Very high91.8Very high0 Ų048.4 Ų48.40%025%0.254CS..Hα-helixtrans-65.5-36.8177.200000112.9V40 I44 L69 L223 N224 I225 G231V40-A227 HydrophobicContact CG1-CB 3.85Å; I44-A227 HydrophobicContact CD1-CB 3.48Å; I44-A227 VanDerWaalsContact CD1-CB 3.48Å; L69-A227 HydrophobicContact CD1-CB 3.84Å; L223-A227 VanDerWaalsContact O-CB 3.22Å; L223-A227 WeakPolarHBondContact O-CB 3.3Å; L223-A227 PolarHBondContact O-N 3.42Å; N224-A227 PolarHBondContact O-N 2.04Å; I225-A227 VanDerWaalsContact C-N 3.29Å; I225-A227 PolarHBondContact O-N 3.04Å; A227-G231 WeakPolarHBondContact O-CA 3.21Å; A227-G231 PolarHBondContact O-N 3.06Å
228L95.9Very high92.2Very high32 Ų3247.6 Ų47.617%0.16825%0.25CS..Hα-helixtrans-59.4-51.5172.8174.663.4000110.7A101 F105 N224 I225 G231 I232A101-L228 HydrophobicContact CB-CD1 4.08Å; F105-L228 HydrophobicContact CB-CD1 4.2Å; F105-L228 HydrophobicContact CB-CD2 4.13Å; F105-L228 HydrophobicContact CD2-CD2 3.69Å; F105-L228 HydrophobicContact CG-CD2 4.32Å; N224-L228 WeakPolarHBondContact O-CB 3.06Å; N224-L228 PolarHBondContact O-N 3.32Å; I225-L228 WeakPolarHBondContact O-CB 3.1Å; I225-L228 PolarHBondContact O-N 3.32Å; L228-G231 PolarHBondContact O-N 2.83Å; L228-I232 HydrophobicContact CD1-CD1 3.9Å; L228-I232 HydrophobicContact CD1-CG1 4.39Å; L228-I232 HydrophobicContact CG-CD1 4.09Å; L228-I232 VanDerWaalsContact O-CG1 3.28Å; L228-I232 WeakPolarHBondContact O-CG1 3.39Å; L228-I232 PolarHBondContact O-N 2.89Å
229F96.5Very high92.3Very high125 Ų12541.2 Ų41.255%0.54823%0.232SC..Hα-helixtrans-63.3-48.4179.3-74-68.5000112.1I225 V226 G231 I232 I233I225-F229 HydrophobicContact CG2-CD2 3.88Å; I225-F229 HydrophobicContact CG2-CE2 3.56Å; I225-F229 WeakPolarHBondContact O-CD2 2.77Å; I225-F229 PolarHBondContact O-N 2.89Å; I225-F229 VanDerWaalsContact O-N 3.16Å; V226-F229 PolarHBondContact O-N 3.32Å; F229-G231 VanDerWaalsContact C-N 3.29Å; F229-G231 PolarHBondContact O-N 3.37Å; F229-I232 PolarHBondContact O-N 3.15Å; F229-I233 VanDerWaalsContact O-CG1 3.25Å; F229-I233 WeakPolarHBondContact O-CG1 2.76Å; F229-I233 PolarHBondContact O-N 3.06Å
230L95.2Very high92Very high37 Ų3740.5 Ų40.519%0.19423%0.232CC..Hα-helixtrans-63.8-35.3177.7-71.9176.8000111.9M36 L37 V40 V226 T234M36-L230 HydrophobicContact CB-CD1 4.47Å; L37-L230 HydrophobicContact CB-CB 4.45Å; L37-L230 HydrophobicContact CD1-CB 3.79Å; V40-L230 HydrophobicContact CB-CD1 4.5Å; V40-L230 HydrophobicContact CG2-CD1 3.88Å; V226-L230 HydrophobicContact CG1-CD1 3.72Å; V226-L230 HydrophobicContact CG1-CG 4.22Å; V226-L230 WeakPolarHBondContact O-CB 3.36Å; V226-L230 WeakPolarHBondContact O-CG 3.18Å; V226-L230 PolarHBondContact O-N 3.23Å; L230-T234 VanDerWaalsContact O-CB 3.23Å; L230-T234 WeakPolarHBondContact O-CB 2.85Å; L230-T234 PolarHBondContact O-N 2.73Å; L230-T234 PolarHBondContact O-OG1 2.77Å
231G95.8Very high91.3Very high1 Ų142.1 Ų42.11%0.0124%0.237CC..Hα-helixtrans-63.6-48176.400000111.9I97 A227 L228 F229 T234 A235I97-G231 WeakPolarHBondContact CG2-O 3.37Å; A227-G231 WeakPolarHBondContact O-CA 3.21Å; A227-G231 PolarHBondContact O-N 3.06Å; L228-G231 PolarHBondContact O-N 2.83Å; F229-G231 VanDerWaalsContact C-N 3.29Å; F229-G231 PolarHBondContact O-N 3.37Å; G231-T234 PolarHBondContact O-N 2.71Å; G231-A235 WeakPolarHBondContact O-CB 3.44Å; G231-A235 PolarHBondContact O-N 3.34Å
232I95.3Very high90.4Very high97 Ų9744.9 Ų44.950%0.49725%0.247SC..Hα-helixtrans-61.3-48.2176.1-65.3164000110.6L228 F229 T234 A235 A236L228-I232 HydrophobicContact CD1-CD1 3.9Å; L228-I232 HydrophobicContact CD1-CG1 4.39Å; L228-I232 HydrophobicContact CG-CD1 4.09Å; L228-I232 VanDerWaalsContact O-CG1 3.28Å; L228-I232 WeakPolarHBondContact O-CG1 3.39Å; L228-I232 PolarHBondContact O-N 2.89Å; F229-I232 PolarHBondContact O-N 3.15Å; I232-T234 VanDerWaalsContact C-N 3.32Å; I232-T234 PolarHBondContact O-N 3.27Å; I232-A235 PolarHBondContact O-N 2.62Å; I232-A236 WeakPolarHBondContact O-CB 3.44Å; I232-A236 PolarHBondContact O-N 2.92Å
233I94.1Very high88.7Confident84 Ų8445.5 Ų45.543%0.43126%0.256SS..Hα-helixtrans-61-43.8178.4-64.2166000110.2V33 F229 A236 V237V33-I233 HydrophobicContact CG1-CG2 4.04Å; F229-I233 VanDerWaalsContact O-CG1 3.25Å; F229-I233 WeakPolarHBondContact O-CG1 2.76Å; F229-I233 PolarHBondContact O-N 3.06Å; I233-A236 PolarHBondContact O-N 2.73Å; I233-V237 HydrophobicContact CG2-CG2 4.24Å; I233-V237 WeakPolarHBondContact O-CB 3.33Å; I233-V237 WeakPolarHBondContact O-CG2 3.44Å; I233-V237 PolarHBondContact O-N 1.98Å
234T92.8Very high86.7Confident0 Ų050 Ų500%028%0.278CS..Hα-helixtrans-64.6-44.4179.7-56.70000111.3V33 T34 L37 I97 L230 G231 I232 A236 V237 L238V33-T234 WeakPolarHBondContact CG1-OG1 3.25Å; T34-T234 HydrophobicContact CG2-CG2 4.14Å; L37-T234 HydrophobicContact CD2-CG2 3.99Å; I97-T234 HydrophobicContact CD1-CG2 3.88Å; L230-T234 VanDerWaalsContact O-CB 3.23Å; L230-T234 WeakPolarHBondContact O-CB 2.85Å; L230-T234 PolarHBondContact O-N 2.73Å; L230-T234 PolarHBondContact O-OG1 2.77Å; G231-T234 PolarHBondContact O-N 2.71Å; I232-T234 VanDerWaalsContact C-N 3.32Å; I232-T234 PolarHBondContact O-N 3.27Å; T234-A236 PolarHBondContact O-N 3.33Å; T234-V237 PolarHBondContact O-N 3.31Å; T234-L238 HydrophobicContact CG2-CD1 3.73Å; T234-L238 HydrophobicContact CG2-CG 4.16Å; T234-L238 WeakPolarHBondContact O-CB 3.4Å; T234-L238 VanDerWaalsContact O-CG 3.24Å; T234-L238 WeakPolarHBondContact O-CG 3.44Å; T234-L238 PolarHBondContact O-N 3.37Å
235A92.9Very high84.4Confident19 Ų1955 Ų5516%0.15730%0.303CS..Hα-helixtrans-61.8-43.1176.700000111.8I97 G231 I232 G239I97-A235 HydrophobicContact CG2-CB 4.25Å; G231-A235 WeakPolarHBondContact O-CB 3.44Å; G231-A235 PolarHBondContact O-N 3.34Å; I232-A235 PolarHBondContact O-N 2.62Å; A235-G239 PolarHBondContact O-N 3.48Å
236A91.6Very high82Confident68 Ų6857 Ų5756%0.56232%0.321SS*.Hα-helixtrans-64.3-43.7176.800000112I232 I233 T234 G239 G240I232-A236 WeakPolarHBondContact O-CB 3.44Å; I232-A236 PolarHBondContact O-N 2.92Å; I233-A236 PolarHBondContact O-N 2.73Å; T234-A236 PolarHBondContact O-N 3.33Å; A236-G239 PolarHBondContact O-N 3.31Å; A236-G240 PolarHBondContact O-N 2.81Å
237V88.9Confident79.4Confident48 Ų4859 Ų5929%0.29134%0.341SS..Hα-helixtrans-67.4-45.3179.31730000111S30 I233 T234 G239 G240 F241S30-V237 WeakPolarHBondContact OG-CG1 3.48Å; I233-V237 HydrophobicContact CG2-CG2 4.24Å; I233-V237 WeakPolarHBondContact O-CB 3.33Å; I233-V237 WeakPolarHBondContact O-CG2 3.44Å; I233-V237 PolarHBondContact O-N 1.98Å; T234-V237 PolarHBondContact O-N 3.31Å; V237-G239 VanDerWaalsContact C-N 3.34Å; V237-G240 PolarHBondContact O-N 3.04Å; V237-F241 HydrophobicContact CG1-CD2 4.09Å; V237-F241 HydrophobicContact CG1-CE2 3.61Å; V237-F241 WeakPolarHBondContact O-CD2 3.39Å; V237-F241 PolarHBondContact O-N 2.96Å
238L86.8Confident76.9Confident3 Ų364.8 Ų64.82%0.01638%0.378CS..Hα-helixtrans-65.6-36.3176.1-68.6174.6000112L90 I94 I97 T234 F241 K242L90-L238 HydrophobicContact CD2-CD2 3.79Å; I94-L238 HydrophobicContact CD1-CB 4.28Å; I94-L238 HydrophobicContact CG1-CB 4.06Å; I97-L238 HydrophobicContact CD1-CD1 3.83Å; T234-L238 HydrophobicContact CG2-CD1 3.73Å; T234-L238 HydrophobicContact CG2-CG 4.16Å; T234-L238 WeakPolarHBondContact O-CB 3.4Å; T234-L238 VanDerWaalsContact O-CG 3.24Å; T234-L238 WeakPolarHBondContact O-CG 3.44Å; T234-L238 PolarHBondContact O-N 3.37Å; L238-F241 PolarHBondContact O-N 3.27Å; L238-K242 PolarHBondContact O-N 3.5Å
239G85.4Confident74.5Confident20 Ų2068 Ų6821%0.20641%0.41CS..Hα-helixtrans-61.2-45.6172.100000111.9A235 A236 V237 F241 K242A235-G239 PolarHBondContact O-N 3.48Å; A236-G239 PolarHBondContact O-N 3.31Å; V237-G239 VanDerWaalsContact C-N 3.34Å; G239-F241 VanDerWaalsContact C-N 3.28Å; G239-F241 PolarHBondContact O-N 2.68Å; G239-K242 WeakPolarHBondContact O-CB 3.2Å; G239-K242 PolarHBondContact O-N 3.47Å
240G81.1Confident71.8Confident31 Ų3167.4 Ų67.432%0.3242%0.421SS..Hα-helixtrans-60.8-33.1175.800000113.9A236 V237 K242 M244A236-G240 PolarHBondContact O-N 2.81Å; V237-G240 PolarHBondContact O-N 3.04Å; G240-K242 VanDerWaalsContact C-N 3.34Å; G240-M244 VanDerWaalsContact O-CG 3.3Å; G240-M244 WeakPolarHBondContact O-CG 3.13Å; G240-M244 PolarHBondContact O-N 2.74Å
241F71.5Confident68.8Low48 Ų4874.9 Ų74.921%0.21146%0.455CS..Hα-helixtrans-75-22.1173.5-74-68000114F23 R26 S30 V237 L238 G239 D243F23-F241 HydrophobicContact CZ-CE1 4.5Å; R26-F241 HydrophobicContact CB-CZ 4.5Å; S30-F241 VanDerWaalsContact CB-CE2 3.44Å; S30-F241 WeakPolarHBondContact OG-CE2 3.31Å; V237-F241 HydrophobicContact CG1-CD2 4.09Å; V237-F241 HydrophobicContact CG1-CE2 3.61Å; V237-F241 WeakPolarHBondContact O-CD2 3.39Å; V237-F241 PolarHBondContact O-N 2.96Å; L238-F241 PolarHBondContact O-N 3.27Å; G239-F241 VanDerWaalsContact C-N 3.28Å; G239-F241 PolarHBondContact O-N 2.68Å; F241-D243 VanDerWaalsContact C-N 3.27Å
242K68.9Low65.7Low74 Ų7480.7 Ų80.732%0.32249%0.491SS..Hα-helixtrans-66.1-33.4175.7-174.5176.2167.3-169.90111.3V91 L238 G239 G240V91-K242 HydrophobicContact CG2-CD 4.22Å; L238-K242 PolarHBondContact O-N 3.5Å; G239-K242 WeakPolarHBondContact O-CB 3.2Å; G239-K242 PolarHBondContact O-N 3.47Å; G240-K242 VanDerWaalsContact C-N 3.34Å
243D56.5Low62.9Low132 Ų13281.1 Ų81.171%0.70651%0.509SS*.Hα-helixtrans-95.8-10.8-174.9-55.5-34.8000113.8F241F241-D243 VanDerWaalsContact C-N 3.27Å
244M51.4Low60Low115 Ų11581.6 Ų81.657%0.56752%0.519SS*.SBendtrans-85.82.6-179.9-76.7177.8177.200114.9G240G240-M244 VanDerWaalsContact O-CG 3.3Å; G240-M244 WeakPolarHBondContact O-CG 3.13Å; G240-M244 PolarHBondContact O-N 2.74Å
245M46.6Very low57Low108 Ų10890.1 Ų90.153%0.53256%0.559SS.*SBendtrans-104.7130.2177-160.175153.100109.2K86 A247K86-M245 PolarHBondContact NZ-SD 2.74Å; M245-A247 PolarHBondContact O-N 3.14Å
246P42.1Very low54.2Low114 Ų11495.7 Ų95.774%0.7459%0.594SS**PPolyproline II helixtrans-55.6121.6174.6-14.426000107.8
247A42.8Very low51.3Low82 Ų82100.9 Ų100.968%0.67861%0.607SS**PPolyproline II helixtrans-53.2133.5162.300000106.8M245 A249M245-A247 PolarHBondContact O-N 3.14Å; A247-A249 PolarHBondContact O-N 3.38Å
248P42.2Very low49Very low122 Ų122103.3 Ų103.379%0.79263%0.631SS**PPolyproline II helixtrans-55.5118.3159.825.8-30.4000105.6S250P248-S250 PolarHBondContact O-N 3.37Å
249A45.1Very low46.5Very low100 Ų100110.9 Ų110.983%0.82667%0.67SS**SBendtrans-51.6112.517900000109.1A247A247-A249 PolarHBondContact O-N 3.38Å
250S41.2Very low44Very low113 Ų113114.1 Ų114.179%0.7970%0.695SS**  trans-173.582.8154.6-95.40000106.3P248P248-S250 PolarHBondContact O-N 3.37Å
251E32.2Very low41.8Very low194 Ų194117.4 Ų117.491%0.90772%0.719SS**  -176.2121.1106-92.5-175.6162.200108.6A253E251-A253 PolarHBondContact O-N 2.9Å
252T30.6Very low40Very low123 Ų123121.3 Ų121.376%0.75575%0.749SS**  trans-49.4113.9-179.5-56.10000112.4S254T252-S254 WeakPolarHBondContact CG2-OG 3.21Å
253A36.7Very low38.3Very low106 Ų106124.1 Ų124.188%0.87677%0.773SS**  trans-84.9105.3144.500000106.6E251E251-A253 PolarHBondContact O-N 2.9Å
254S31.9Very low37.6Very low94 Ų94123.2 Ų123.266%0.65777%0.774SS**  trans-128.211716254.70000107.3T252T252-S254 WeakPolarHBondContact CG2-OG 3.21Å
255E30.4Very low36.8Very low178 Ų178124.1 Ų124.183%0.83279%0.788SS**  trans-43.6153.2164.9-82.4172.986.100112.5E257E255-E257 PolarHBondContact O-N 2.76Å
256P35.2Very low36.3Very low137 Ų137123.5 Ų123.589%0.8980%0.801SS**  trans-78.886.7175.331.8-29.4000110
257E30Very low36.7Very low177 Ų177123.6 Ų123.683%0.82780%0.801SS**  trans-90.4115.4168.5-166.8152111.200109.8E255 I259E255-E257 PolarHBondContact O-N 2.76Å; E257-I259 PolarHBondContact O-N 3.32Å
258A39.6Very low36.6Very low98 Ų98125.5 Ų125.581%0.8181%0.806SS**  trans-59.6124.9179.900000111.3
259I36.3Very low36.6Very low162 Ų162125.1 Ų125.183%0.83180%0.804SS**  trans-113.1118.4170.8-60.1179.5000109.4E257E257-I259 PolarHBondContact O-N 3.32Å
260A31.1Very low36.7Very low89 Ų89125.5 Ų125.574%0.73680%0.798SS**  trans-57.3144.4173.200000113
261A34.9Very low36.1Very low100 Ų100127.2 Ų127.283%0.82680%0.804SS**  trans-78.6147.2174.300000112.5
262P34.1Very low36.1Very low129 Ų129124.2 Ų124.284%0.83880%0.799SS**  trans-111.8145.6152.2-1.923.1000113.9
263V33.5Very low36.1Very low134 Ų134122.4 Ų122.481%0.81280%0.796SS**  trans-64.2151.7-172.61750000114.8
264P42.9Very low36Very low113 Ų113125 Ų12573%0.73480%0.795SS**  trans-97164.6-179.537.9-33.1000114
265P32.7Very low35.8Very low133 Ų133127.1 Ų127.186%0.86480%0.799SS**  trans-120.8148.7154.427.4-10.7000114
266A37.8Very low35.7Very low96 Ų96124.9 Ų124.979%0.79379%0.792SS**  trans-99.3177.3-173.500000113
267P48.9Very low35.4Very low116 Ų116127 Ų12775%0.75378%0.783SS**  trans-96.8-173.9-145.442.3-41.9000116
268P40.6Very low35.4Very low121 Ų121125.1 Ų125.179%0.78678%0.775SS**  -156.5-160.395.448.6-27.1000115.2
269P42.5Very low34.9Very low115 Ų115127 Ų12775%0.74777%0.771SS**  -131.2-144.4-11533.9-5.4000114.7
270P47.2Very low34.6Very low108 Ų108123.7 Ų123.770%0.70177%0.768SS**  -119170.1-87.939-22.8000114.6
271T30Very low34.5Very low149 Ų149123.9 Ų123.991%0.91477%0.769SS**  trans-168.5164.1149.74.20000115.4
272T30.8Very low35Very low130 Ų130124.4 Ų124.480%0.79876%0.764SS**  trans-95.5166.7-145.1-34.70000116.9
273A31.1Very low34.8Very low85 Ų85123.6 Ų123.670%0.70276%0.761SS**  trans79.6145.5150.300000117.5
274L33.4Very low34.8Very low160 Ų160125.4 Ų125.484%0.83876%0.764SS**  cis-161.8147.924.4-162.183.7000110.1
275N28.9Very low34.6Very low139 Ų139125 Ų12574%0.74376%0.762SS**  trans-53.5160.3167.4-72.8-65.6000114.1
276L28Very low35.1Very low132 Ų132123.3 Ų123.369%0.69175%0.751SS**  175.7141.2110.3-117.651.1000117
277Y29.6Very low34.6Very low181 Ų181129 Ų12971%0.7175%0.753SS**  trans69.8126.3151.4-75.5-80.2000118
278H30.1Very low33.8Very low138 Ų138129 Ų12964%0.63975%0.752SS**  cis-170.3150.411.1-142.213.8000113.2
279N29.3Very low33.2Very low137 Ų137127.9 Ų127.973%0.73375%0.753SS**  trans92121.5141.9-72.8-33.6000123.3
280A30.1Very low32.7Very low93 Ų93132.8 Ų132.877%0.76976%0.758SS**  trans-79.2144.4179.400000114
281A28.7Very low31.8Very low92 Ų92134.4 Ų134.476%0.7676%0.76SS**  17.6175127.600000121.1
282P43.8Very low32.2Very low111 Ų111134.3 Ų134.372%0.72175%0.754SS**  cis-142.3165.5-2.226.6-0.8000117.7
283C30.9Very low32.2Very low113 Ų113137.1 Ų137.176%0.76476%0.758SS**  trans38.7136.6137.1-50.20000124.3
284L33.7Very low32.3Very low171 Ų171136 Ų13690%0.89575%0.754SS**  -179.5159.8102.3-88.3171.3000114.1
285P39.1Very low32.7Very low104 Ų104134.7 Ų134.768%0.67576%0.755SS**  trans-113.6-145.3-158.847.5-35.9000111.8
286P42.2Very low32.9Very low98 Ų98136.2 Ų136.264%0.63676%0.756SS**  cis-137.1174.1-13.437.6-17.6000116.3
287Y26.8Very low32.9Very low215 Ų215138.3 Ų138.384%0.84377%0.767SS**  trans174.193.2138.2-100.4-75.6000107.3
288T32.5Very low33Very low117 Ų117137.8 Ų137.872%0.71877%0.769SS**  50128.794.666.70000114.3
289A28.1Very low34.1Very low98 Ų98136.2 Ų136.281%0.8177%0.77SS**  -144.5141.954.100000115.7
290Y31.3Very low34Very low217 Ų217136.7 Ų136.785%0.85177%0.773SS**  trans-72.2166.7156.7-76.9-89.6000108.8
291D28.2Very low34.1Very low142 Ų142136.7 Ų136.776%0.75977%0.767SS**  -170.115954.7-142.8-16.2000114.4
292L38.4Very low34.2Very low148 Ų148138.1 Ų138.178%0.77577%0.772SS**  trans-75.9158.1179.5-148.880.1000111.6
293Q31.4Very low33.6Very low188 Ų188136.3 Ų136.388%0.87977%0.774SS**  trans-174.3114.5133.6-104.2162.335.100112.4
294G34Very low33.6Very low61 Ų61138.9 Ų138.963%0.62978%0.779SS**  trans-86.8177.2144.300000109.8
295P41.8Very low33.5Very low133 Ų133134.6 Ų134.686%0.86476%0.763SS**  -145.7166.5116.829.7-9.6000116.5
296F32.5Very low33.3Very low171 Ų171136.2 Ų136.275%0.7577%0.766SS**  trans-66.4163-172.3-78.7-111.9000117.5F298F296-F298 HydrophobicContact CD1-CD2 4.18Å; F296-F298 AromaticContact CD1-CE2 3.99Å; F296-F298 HydrophobicContact CD1-CE2 3.99Å; F296-F298 AromaticContact CE1-CE2 3.96Å; F296-F298 HydrophobicContact CE1-CE2 3.96Å
297L29.2Very low32.8Very low176 Ų176138 Ų13892%0.92177%0.77SS**  -173.2131.1120.2-92.3147.7000111.5
298F30.6Very low33.1Very low171 Ų171132.1 Ų132.175%0.7576%0.761SS**  trans-88.5-166.7173.9-78.4-86.4000111F296F296-F298 HydrophobicContact CD1-CD2 4.18Å; F296-F298 AromaticContact CD1-CE2 3.99Å; F296-F298 HydrophobicContact CD1-CE2 3.99Å; F296-F298 AromaticContact CE1-CE2 3.96Å; F296-F298 HydrophobicContact CE1-CE2 3.96Å
299P53.8Low33.2Very low104 Ų104135.8 Ų135.868%0.67577%0.77SS**  -127.1176.4-59.235.6-19.4000111.7
300D26.1Very low33.4Very low147 Ų147137.1 Ų137.179%0.78677%0.773SS**  trans-177.8125.8134.2-101.4-35.1000115.9
301S33.2Very low33.3Very low93 Ų93130.2 Ų130.265%0.6577%0.768SS**  59.8112.9128.9-61.80000124.2
302S31.3Very low33.4Very low122 Ų122127.8 Ų127.885%0.85377%0.768SS**  77.1137.9112.7-53.30000123.6
303G30.6Very low33.2Very low74 Ų74124.9 Ų124.976%0.76376%0.76SS**  trans102.2100.115600000114
304L30.6Very low33.2Very low166 Ų166123.4 Ų123.487%0.86975%0.753SS**  6512952.4-122.9163000113.9
305S32.9Very low33.2Very low82 Ų82127.9 Ų127.957%0.57376%0.761SS**  trans85.3112.6159.8-740000117.4
306D33Very low32.7Very low137 Ų137133.1 Ų133.173%0.73376%0.764SS**  92.6141.793.5-71-34.1000107.8
307D32.2Very low32.9Very low135 Ų135129.6 Ų129.672%0.72276%0.758SS**  cis-165.6164.327-136.3-48000110.2
308S33.9Very low33.1Very low93 Ų93127.4 Ų127.465%0.6575%0.752SS**  trans-32.8141.8164-440000117.7
309Q34.3Very low33.2Very low193 Ų193127.5 Ų127.590%0.90276%0.757SS**  165.2146.3106.3-96.8-177.1-1.600115.2
310S32.1Very low32.4Very low127 Ų127129.7 Ų129.789%0.88876%0.761SS**  trans-35.9154.4170.1-570000118.8
311G29Very low33Very low72 Ų72127.7 Ų127.774%0.74276%0.757SS**  trans156.7104.314900000116.1
312A29.8Very low33.3Very low90 Ų90129.4 Ų129.474%0.74477%0.765SS**  trans52.5108.6135.700000120.2
313S34.2Very low33.6Very low87 Ų87134.8 Ų134.861%0.60877%0.767SS**  49.5151.9124.651.90000122
314H32.3Very low33.8Very low158 Ų158142.5 Ų142.573%0.73178%0.775SS**  trans99.6114.5158.4-47.2-71000116.7
315L33.3Very low34.2Very low155 Ų155139.8 Ų139.881%0.81277%0.77SS**  trans62.3102.6159.9-7384.8000118.2
316W31.7Very low34.6Very low243 Ų243141 Ų14192%0.9278%0.776SS**  trans-111.6112.7155.7-84.576.3000110.4
317P35.9Very low35.1Very low96 Ų96140.7 Ų140.762%0.62378%0.781SS**  trans-76.7142.9158.8-9.927.4000110.7M319P317-M319 PolarHBondContact O-N 2.79Å
318T35.2Very low35.4Very low131 Ų131143.2 Ų143.280%0.80479%0.788SS**  trans-42.5122.6169.2290000114
319M32.2Very low35.7Very low173 Ų173148 Ų14885%0.85280%0.801SS**  trans-115.6100.1168.5-70.1-68.8-95.800110.3P317P317-M319 PolarHBondContact O-N 2.79Å
320I37.3Very low36.1Very low149 Ų149147.2 Ų147.276%0.76480%0.796SS**PPolyproline II helixtrans-89.1137166.5-63.8159000107.1
321P37.4Very low36.9Very low105 Ų105146.2 Ų146.268%0.68279%0.787SS**PPolyproline II helixtrans-72.1141177.527.2-32.3000112R323P321-R323 PolarHBondContact O-N 3.18Å
322P40Very low37.8Very low129 Ų129150.7 Ų150.784%0.83879%0.794SS**PPolyproline II helixtrans-73.8121.6-179.627.6-31.2000111.3
323R38.2Very low38.6Very low236 Ų236155.6 Ų155.689%0.89180%0.801SS**PPolyproline II helixtrans-89.8122168.4-76.9-155.5173.5-168.6-0.1110.4P321P321-R323 PolarHBondContact O-N 3.18Å
324Y34.7Very low39.3Very low235 Ų235160.8 Ų160.892%0.92281%0.813SS**PPolyproline II helixtrans-57.7135.1165.4-90.1-98.7000110.9
325S38.9Very low40.7Very low110 Ų110158.4 Ų158.477%0.76981%0.812SS**  trans-119.7135.4170.3-60.70000109.6
326P40.8Very low41.8Very low108 Ų108155.6 Ų155.670%0.70180%0.803SS**PPolyproline II helixtrans-85.7157.1172.632.2-30.2000112.3
327P43.8Very low42.9Very low130 Ų130149.7 Ų149.784%0.84480%0.795SS**PPolyproline II helixtrans-68.9138.8-174.5-14.629.6000112.7
328H39.3Very low43.1Very low188 Ų188155.7 Ų155.787%0.8781%0.807SS**PPolyproline II helixtrans-85.9116.6170.9-85.625.9000110.1
329E38.5Very low43.1Very low194 Ų194154.7 Ų154.791%0.90781%0.805SS**PPolyproline II helixtrans-77.8137.1158-72.2-129.3128.500109.7
330H43.7Very low44.1Very low175 Ų175156 Ų15681%0.8183%0.827SS**PPolyproline II helixtrans-93.9120.2-179-147.4-71.1000108.9D332H330-D332 PolarHBondContact O-N 3.2Å
331P48.8Very low44.5Very low107 Ų107156.4 Ų156.470%0.69583%0.83SS**SBendtrans-86.692.5178.232-26.1000107.5
332D48.5Very low44.8Very low165 Ų165159.1 Ų159.188%0.88284%0.838SS**  trans170.157.9154.9-86.1-38.6000110.8H330H330-D332 PolarHBondContact O-N 3.2Å
333E46.4Very low45.1Very low193 Ų193160.8 Ų160.890%0.90284%0.838SS**  trans-113.2107166-138.5169.3123.300109.3
334K48.3Very low45.5Very low197 Ų197156.4 Ų156.486%0.85784%0.835SS**PPolyproline II helixtrans-76128.9179.1-177.7172.5-173.8178.50109.5
335P61.5Low46.2Very low108 Ų108151.4 Ų151.470%0.70183%0.83SS**PPolyproline II helixtrans-75.1153.2177.127.7-31.1000112.4
336P56.5Low46.7Very low96 Ų96154.2 Ų154.262%0.62383%0.834SS**PPolyproline II helixtrans-71.5160.6-175.529.6-34.5000112.9
337P55.4Low47.1Very low118 Ų118157.5 Ų157.577%0.76684%0.843SS**PPolyproline II helixtrans-81.2132.7-173.133.6-30.4000110.1
338Y39.7Very low47.4Very low223 Ų223159.6 Ų159.688%0.87584%0.843SS**  trans-107.3121.1156.1-67.7-76.1000108.1
339S35.7Very low48Very low109 Ų109157.3 Ų157.376%0.76284%0.841SS**  trans-109.5163.4159.1-55.50000107.5
340P53.3Low48.9Very low202 Ų202153.9 Ų153.9100%1.31284%0.835SS**  cis-102.40-1636.4-27.5000114

Retrieved 340 of 340 residues in 351.1 ms (Link to these results)