A0A096NSC3_PAPAN Loading...

Signal recognition particle 54 kDa protein AlphaSync

Component of the signal recognition particle (SRP) complex, a ribonucleoprotein complex that mediates the cotranslational targeting of secretory and membrane proteins to the endoplasmic reticulum (ER). As part of the SRP complex, associates with the SRP receptor (SR) component SRPRA to target secretory proteins to the endoplasmic reticulum membrane. Binds to the signal sequence of presecretory proteins when they emerge from the ribosomes. Displays basal GTPase activity, and stimulates reciprocal GTPase activation of the SR subunit SRPRA. Forms a guanosine 5'-triphosphate (GTP)-dependent complex with the SR subunit SRPRA. SR compaction and GTPase mediated rearrangement of SR drive SRP-mediated cotranslational protein translocation into the ER. Requires the presence of SRP9/SRP14 and/or SRP19 to stably interact with RNA. Plays a role in proliferation and differentiation of granulocytic cells, neutrophils migration capacity and exocrine pancreas development.

AlphaFold DB (P61011-2), UniProt , Accession A0A096NSC3, Species PAPAN (Papio anubis, Olive baboon), Gene SRP54, Length 455 aa.

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Download Structure   AlphaSync Parameters   PDB   PAE   Table  
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
1M35.9Very low43.1Very low159 Ų159125.9 Ų125.978%0.78368%0.676SS**  01370-68.3-170.5177.200108.8A215M1-A215 HydrophobicContact CE-CB 4.29Å
2P36.1Very low44.6Very low120 Ų120122.7 Ų122.778%0.77966%0.659SS**  trans-61.3139.216423.3-19.9000107.5
3P38.5Very low45.8Very low116 Ų116119.5 Ų119.575%0.75364%0.641SS**  trans-59.1155.4-175.626.1-33.3000109.9S5P3-S5 PolarHBondContact O-N 3.24Å
4L40.3Very low46.9Very low176 Ų176124.1 Ų124.192%0.92166%0.657SS**  trans-44.976.4171.4-72.6129.1000112.4M6L4-M6 VanDerWaalsContact C-N 3.26Å; L4-M6 PolarHBondContact O-N 3.06Å; L4-M6 VanDerWaalsContact O-N 3.12Å
5S34.7Very low48Very low82 Ų82127.2 Ų127.257%0.57367%0.666SS**  trans-76.794.2155.180.30000103.6P3 K7P3-S5 PolarHBondContact O-N 3.24Å; S5-K7 PolarHBondContact O-N 3.38Å; S5-K7 WeakPolarHBondContact OG-CG 3.3Å
6M41.5Very low48.9Very low171 Ų171121.6 Ų121.684%0.84264%0.636SS**  trans-5195.5149.1-88.4-174.7-178.800104.6L4 R8L4-M6 VanDerWaalsContact C-N 3.26Å; L4-M6 PolarHBondContact O-N 3.06Å; L4-M6 VanDerWaalsContact O-N 3.12Å; M6-R8 PolarHBondContact O-N 3.33Å
7K41.1Very low49.7Very low152 Ų152118.1 Ų118.166%0.66163%0.628SS**  trans-63.8111.9-176.8-79.2-172.4172.7-177.50105.1S5 S9 A10S5-K7 PolarHBondContact O-N 3.38Å; S5-K7 WeakPolarHBondContact OG-CG 3.3Å; K7-S9 WeakPolarHBondContact CB-OG 3.32Å; K7-S9 PolarHBondContact O-N 2.88Å; K7-A10 PolarHBondContact O-N 3.38Å
8R44.3Very low50.5Low226 Ų226118.3 Ų118.385%0.85364%0.641SS**G310 helixtrans-45.4-21.7164.5-74.1178.9170.9170.8-4.7111.9M6 A10 I11M6-R8 PolarHBondContact O-N 3.33Å; R8-A10 PolarHBondContact O-N 3.37Å; R8-A10 VanDerWaalsContact O-N 3.12Å; R8-I11 CarbonylContact O-C 3.58Å; R8-I11 PolarHBondContact O-N 2.98Å
9S51.5Low51.4Low89 Ų89116.6 Ų116.662%0.62265%0.654SS**G310 helixtrans-61.3-16.1178.2750000116.4K7K7-S9 WeakPolarHBondContact CB-OG 3.32Å; K7-S9 PolarHBondContact O-N 2.88Å
10A55.1Low52.4Low54 Ų54115.3 Ų115.345%0.44665%0.645SS.*G310 helixtrans-82.3-20.5177.900000112.9K7 R8K7-A10 PolarHBondContact O-N 3.38Å; R8-A10 PolarHBondContact O-N 3.37Å; R8-A10 VanDerWaalsContact O-N 3.12Å
11I55.8Low53.6Low40 Ų40114.8 Ų114.821%0.20564%0.641CS.*  trans-146.688.8-178.4-41.1175000108.2R8 L13 M16 I26 A29R8-I11 CarbonylContact O-C 3.58Å; R8-I11 PolarHBondContact O-N 2.98Å; I11-L13 HydrophobicContact CG2-CD2 3.69Å; I11-L13 HydrophobicContact CG2-CG 3.79Å; I11-L13 PolarHBondContact O-N 2.91Å; I11-M16 HydrophobicContact CG2-CE 4.5Å; I11-M16 HydrophobicContact CG2-SD 3.54Å; I11-M16 VanDerWaalsContact CG2-SD 3.54Å; I11-I26 HydrophobicContact CD1-CB 4.19Å; I11-I26 HydrophobicContact CD1-CG1 3.9Å; I11-I26 HydrophobicContact CD1-CG2 4.35Å; I11-A29 HydrophobicContact CD1-CB 3.45Å; I11-A29 VanDerWaalsContact CD1-CB 3.45Å; I11-A29 HydrophobicContact CG1-CB 3.58Å
12D60.1Low55.7Low87 Ų87111.9 Ų111.947%0.46562%0.624SS.*  trans-7383.2165.4-109.1-37.6000108.8E14 E15 M16D12-E14 PolarHBondContact O-N 3.12Å; D12-E15 HydrophobicContact CB-CB 4.29Å; D12-E15 HydrophobicContact CB-CG 4.36Å; D12-E15 PolarHBondContact O-N 3.2Å; D12-M16 VanDerWaalsContact O-CG 3.3Å; D12-M16 WeakPolarHBondContact O-CG 3.48Å; D12-M16 PolarHBondContact O-N 3.2Å
13L60.1Low57.9Low81 Ų81114.8 Ų114.842%0.42462%0.619SS.*THydrogen-bonded Turntrans-55.3-19.5180-74.2166.8000113.1I11 M16 I26I11-L13 HydrophobicContact CG2-CD2 3.69Å; I11-L13 HydrophobicContact CG2-CG 3.79Å; I11-L13 PolarHBondContact O-N 2.91Å; L13-M16 HydrophobicContact CD2-SD 3.99Å; L13-I26 HydrophobicContact CD2-CD1 4.01Å; L13-I26 HydrophobicContact CD2-CG1 4.2Å
14E62.1Low59.9Low185 Ų185116.3 Ų116.386%0.86461%0.614SS**THydrogen-bonded Turntrans-83.3-32.6-180-63.9-175.917900112.8D12D12-E14 PolarHBondContact O-N 3.12Å
15E63.6Low61.8Low170 Ų170110.6 Ų110.679%0.79458%0.583SS**THydrogen-bonded Turntrans-87.9-9.2176.4-67.2-163.1154.800113.6D12 A17D12-E15 HydrophobicContact CB-CB 4.29Å; D12-E15 HydrophobicContact CB-CG 4.36Å; D12-E15 PolarHBondContact O-N 3.2Å; E15-A17 PolarHBondContact O-N 2.91Å
16M61.9Low64.2Low37 Ų37109.8 Ų109.818%0.18257%0.572CS.*SBendtrans-69.8120.6-175.6-71.8175.982.800112.2I11 D12 L13 S18 M25I11-M16 HydrophobicContact CG2-CE 4.5Å; I11-M16 HydrophobicContact CG2-SD 3.54Å; I11-M16 VanDerWaalsContact CG2-SD 3.54Å; D12-M16 VanDerWaalsContact O-CG 3.3Å; D12-M16 WeakPolarHBondContact O-CG 3.48Å; D12-M16 PolarHBondContact O-N 3.2Å; L13-M16 HydrophobicContact CD2-SD 3.99Å; M16-S18 PolarHBondContact O-N 2.73Å; M16-M25 HydrophobicContact CE-CB 3.92Å; M16-M25 HydrophobicContact CE-CE 3.03Å; M16-M25 HydrophobicContact CE-CG 4.14Å; M16-M25 HydrophobicContact CE-SD 3.13Å; M16-M25 WeakPolarHBondContact CE-SD 3.49Å
17A63.2Low66.2Low62 Ų62106.4 Ų106.451%0.51255%0.554SS.*PPolyproline II helixtrans-47.5131.7176.800000112.5E15 G19 L20E15-A17 PolarHBondContact O-N 2.91Å; A17-G19 PolarHBondContact O-N 3.12Å; A17-L20 HydrophobicContact CB-CD1 4.05Å; A17-L20 HydrophobicContact CB-CG 4.38Å; A17-L20 PolarHBondContact O-N 2.81Å
18S63.5Low68.3Low123 Ų123104 Ų10486%0.8655%0.545SS*.THydrogen-bonded Turntrans-58.3127.2174.558.10000110.3M16M16-S18 PolarHBondContact O-N 2.73Å
19G67.5Low70.4Confident85 Ų8594 Ų9488%0.87651%0.511SS*.THydrogen-bonded Turntrans111.2-15.5179.800000114.6A17A17-G19 PolarHBondContact O-N 3.12Å
20L71.2Confident72.1Confident91 Ų9192.8 Ų92.848%0.47650%0.499SS..SBendtrans-73.3140.8171.8-61.1172.2000110.7A17 K22 M25A17-L20 HydrophobicContact CB-CD1 4.05Å; A17-L20 HydrophobicContact CB-CG 4.38Å; A17-L20 PolarHBondContact O-N 2.81Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-K22 PolarHBondContact O-N 2.62Å; L20-M25 HydrophobicContact CB-CE 3.24Å; L20-M25 HydrophobicContact CB-SD 4.03Å; L20-M25 HydrophobicContact CD1-CE 4.33Å; L20-M25 HydrophobicContact CD1-SD 4.21Å; L20-M25 HydrophobicContact CG-CE 4.37Å
21N78.5Confident73.7Confident105 Ų10591.6 Ų91.656%0.56148%0.484SS*.  trans-70.486.9179.1-171.6-34.6000110.9R23 K24 M25N21-R23 VanDerWaalsContact C-N 3.25Å; N21-R23 PolarHBondContact O-N 3.41Å; N21-R23 PolarHBondContact OD1-N 2.91Å; N21-K24 HydrophobicContact CB-CB 4.2Å; N21-K24 PolarHBondContact O-N 2.97Å; N21-K24 VanDerWaalsContact O-N 3.07Å; N21-K24 PolarHBondContact OD1-N 3.15Å; N21-K24 VanDerWaalsContact OD1-N 3.15Å; N21-M25 VanDerWaalsContact O-CE 3.27Å; N21-M25 WeakPolarHBondContact O-CE 3.34Å; N21-M25 PolarHBondContact O-N 3.45Å
22K80.3Confident75.2Confident97 Ų9795.4 Ų95.442%0.42250%0.499SS..Hα-helixtrans-49.8-44-177.1-66.2-168.4178-164.30112.3L20 K24 M25 I26L20-K22 VanDerWaalsContact C-N 3.33Å; L20-K22 PolarHBondContact O-N 2.62Å; K22-K24 PolarHBondContact O-N 3.43Å; K22-M25 PolarHBondContact O-N 3.5Å; K22-I26 VanDerWaalsContact O-CG1 3.26Å; K22-I26 WeakPolarHBondContact O-CG1 3.27Å; K22-I26 PolarHBondContact O-N 2.99Å
23R80.6Confident76.5Confident182 Ų18296 Ų9669%0.68750%0.499SS*.Hα-helixtrans-59.4-46.1179.3-176178177.1177.31.3112.3N21 M25 I26 Q27N21-R23 VanDerWaalsContact C-N 3.25Å; N21-R23 PolarHBondContact O-N 3.41Å; N21-R23 PolarHBondContact OD1-N 2.91Å; R23-M25 PolarHBondContact O-N 3.21Å; R23-I26 PolarHBondContact O-N 3.29Å; R23-Q27 WeakPolarHBondContact O-CG 3.13Å; R23-Q27 PolarHBondContact O-N 3.43Å
24K81.1Confident77.7Confident148 Ų14894.9 Ų94.964%0.64349%0.493SS*.Hα-helixtrans-65.4-39-179.8-171.7177.8179.7-178.80111.9N21 K22 Q27 H28N21-K24 HydrophobicContact CB-CB 4.2Å; N21-K24 PolarHBondContact O-N 2.97Å; N21-K24 VanDerWaalsContact O-N 3.07Å; N21-K24 PolarHBondContact OD1-N 3.15Å; N21-K24 VanDerWaalsContact OD1-N 3.15Å; K22-K24 PolarHBondContact O-N 3.43Å; K24-Q27 PolarHBondContact O-N 3.21Å; K24-H28 WeakPolarHBondContact O-CB 3.33Å; K24-H28 PolarHBondContact O-N 2.95Å
25M81.2Confident78.9Confident56 Ų5687 Ų8728%0.27646%0.457SS..Hα-helixtrans-69.4-39.4177.9-69.7174.2-71.300112M16 L20 N21 K22 R23 H28 A29M16-M25 HydrophobicContact CE-CB 3.92Å; M16-M25 HydrophobicContact CE-CE 3.03Å; M16-M25 HydrophobicContact CE-CG 4.14Å; M16-M25 HydrophobicContact CE-SD 3.13Å; M16-M25 WeakPolarHBondContact CE-SD 3.49Å; L20-M25 HydrophobicContact CB-CE 3.24Å; L20-M25 HydrophobicContact CB-SD 4.03Å; L20-M25 HydrophobicContact CD1-CE 4.33Å; L20-M25 HydrophobicContact CD1-SD 4.21Å; L20-M25 HydrophobicContact CG-CE 4.37Å; N21-M25 VanDerWaalsContact O-CE 3.27Å; N21-M25 WeakPolarHBondContact O-CE 3.34Å; N21-M25 PolarHBondContact O-N 3.45Å; K22-M25 PolarHBondContact O-N 3.5Å; R23-M25 PolarHBondContact O-N 3.21Å; M25-H28 PolarHBondContact O-N 2.87Å; M25-A29 WeakPolarHBondContact O-CB 3.39Å; M25-A29 PolarHBondContact O-N 2.94Å
26I84.6Confident80Confident65 Ų6586 Ų8633%0.33345%0.45SS..Hα-helixtrans-60.4-47.3173-65163.7000110.8I11 L13 K22 R23 H28 A29 V30I11-I26 HydrophobicContact CD1-CB 4.19Å; I11-I26 HydrophobicContact CD1-CG1 3.9Å; I11-I26 HydrophobicContact CD1-CG2 4.35Å; L13-I26 HydrophobicContact CD2-CD1 4.01Å; L13-I26 HydrophobicContact CD2-CG1 4.2Å; K22-I26 VanDerWaalsContact O-CG1 3.26Å; K22-I26 WeakPolarHBondContact O-CG1 3.27Å; K22-I26 PolarHBondContact O-N 2.99Å; R23-I26 PolarHBondContact O-N 3.29Å; I26-H28 VanDerWaalsContact C-N 3.33Å; I26-H28 PolarHBondContact O-N 3.41Å; I26-A29 PolarHBondContact O-N 3.38Å; I26-V30 HydrophobicContact CG2-CG2 4.45Å; I26-V30 VanDerWaalsContact O-CG2 3.31Å; I26-V30 WeakPolarHBondContact O-CG2 3.47Å; I26-V30 PolarHBondContact O-N 3.07Å
27Q83.6Confident81Confident100 Ų10088.8 Ų88.847%0.46747%0.466SS..Hα-helixtrans-59.4-43.7176.5-73.7175.4-26.700112.1R23 K24 V30 F31R23-Q27 WeakPolarHBondContact O-CG 3.13Å; R23-Q27 PolarHBondContact O-N 3.43Å; K24-Q27 PolarHBondContact O-N 3.21Å; Q27-V30 PolarHBondContact O-N 3.46Å; Q27-F31 WeakPolarHBondContact O-CB 3.26Å; Q27-F31 PolarHBondContact O-N 3.32Å
28H85.5Confident82Confident101 Ų10186.2 Ų86.247%0.46844%0.444SS..Hα-helixtrans-66.2-39.2178.8-169.566.2000113K24 M25 I26 F31 K32K24-H28 WeakPolarHBondContact O-CB 3.33Å; K24-H28 PolarHBondContact O-N 2.95Å; M25-H28 PolarHBondContact O-N 2.87Å; I26-H28 VanDerWaalsContact C-N 3.33Å; I26-H28 PolarHBondContact O-N 3.41Å; H28-F31 PolarHBondContact O-N 2.96Å; H28-K32 VanDerWaalsContact NE2-CE 3.29Å; H28-K32 WeakPolarHBondContact NE2-CE 3.46Å; H28-K32 WeakPolarHBondContact O-CG 3.31Å; H28-K32 PolarHBondContact O-N 3.3Å
29A87.8Confident83Confident17 Ų1783.7 Ų83.714%0.1442%0.42CS..Hα-helixtrans-66.1-44.6175.700000111.3I11 M25 I26 F31 K32 E33I11-A29 HydrophobicContact CD1-CB 3.45Å; I11-A29 VanDerWaalsContact CD1-CB 3.45Å; I11-A29 HydrophobicContact CG1-CB 3.58Å; M25-A29 WeakPolarHBondContact O-CB 3.39Å; M25-A29 PolarHBondContact O-N 2.94Å; I26-A29 PolarHBondContact O-N 3.38Å; A29-F31 VanDerWaalsContact C-N 3.34Å; A29-F31 PolarHBondContact O-N 3.47Å; A29-K32 PolarHBondContact O-N 2.97Å; A29-E33 WeakPolarHBondContact O-CG 3.38Å; A29-E33 PolarHBondContact O-N 3.42Å
30V87.8Confident83.9Confident63 Ų6381.2 Ų81.238%0.38239%0.389SS..Hα-helixtrans-60.2-44.4173.9172.70000110.9I26 Q27 K32 E33 L34I26-V30 HydrophobicContact CG2-CG2 4.45Å; I26-V30 VanDerWaalsContact O-CG2 3.31Å; I26-V30 WeakPolarHBondContact O-CG2 3.47Å; I26-V30 PolarHBondContact O-N 3.07Å; Q27-V30 PolarHBondContact O-N 3.46Å; V30-K32 PolarHBondContact O-N 2.99Å; V30-E33 PolarHBondContact O-N 3.28Å; V30-L34 HydrophobicContact CG1-CD1 4Å; V30-L34 HydrophobicContact CG1-CG 4.39Å; V30-L34 WeakPolarHBondContact O-CB 3.32Å; V30-L34 WeakPolarHBondContact O-CG 3.48Å; V30-L34 PolarHBondContact O-N 3.31Å
31F87.2Confident84.5Confident28 Ų2880.1 Ų80.112%0.12340%0.4CS..Hα-helixtrans-56.8-49.4175.3176.8-92.2000111.8Q27 H28 A29 E33 L34 V35 Q239 I242 S243 L246Q27-F31 WeakPolarHBondContact O-CB 3.26Å; Q27-F31 PolarHBondContact O-N 3.32Å; H28-F31 PolarHBondContact O-N 2.96Å; A29-F31 VanDerWaalsContact C-N 3.34Å; A29-F31 PolarHBondContact O-N 3.47Å; F31-E33 PolarHBondContact O-N 2.93Å; F31-L34 PolarHBondContact O-N 3.2Å; F31-V35 HydrophobicContact CD1-CG2 4.16Å; F31-V35 HydrophobicContact CE1-CG2 3.75Å; F31-V35 HydrophobicContact CE2-CG2 4.26Å; F31-V35 HydrophobicContact CZ-CG2 3.8Å; F31-V35 WeakPolarHBondContact O-CG2 3.32Å; F31-V35 PolarHBondContact O-N 3.47Å; F31-Q239 HydrophobicContact CZ-CB 4.26Å; F31-Q239 HydrophobicContact CZ-CG 4.31Å; F31-I242 HydrophobicContact CD2-CB 4.27Å; F31-I242 HydrophobicContact CD2-CG2 3.45Å; F31-I242 VanDerWaalsContact CD2-CG2 3.45Å; F31-I242 HydrophobicContact CE2-CB 3.94Å; F31-I242 HydrophobicContact CE2-CG2 3.64Å; F31-I242 HydrophobicContact CG-CG2 4.29Å; F31-S243 VanDerWaalsContact CE2-OG 3.28Å; F31-S243 WeakPolarHBondContact CE2-OG 3.29Å; F31-L246 HydrophobicContact CB-CD1 3.81Å; F31-L246 HydrophobicContact CD2-CD1 3.77Å; F31-L246 HydrophobicContact CG-CD1 4.3Å
32K88.4Confident84.9Confident121 Ų12178.9 Ų78.953%0.52640%0.396SS..Hα-helixtrans-61.4-43179.3-80.6-175.9166.1-176.80112.9H28 A29 V30 V35 K36H28-K32 VanDerWaalsContact NE2-CE 3.29Å; H28-K32 WeakPolarHBondContact NE2-CE 3.46Å; H28-K32 WeakPolarHBondContact O-CG 3.31Å; H28-K32 PolarHBondContact O-N 3.3Å; A29-K32 PolarHBondContact O-N 2.97Å; V30-K32 PolarHBondContact O-N 2.99Å; K32-V35 PolarHBondContact O-N 3.36Å; K32-K36 WeakPolarHBondContact O-CB 3.29Å; K32-K36 PolarHBondContact O-N 3.23Å
33E86.9Confident85.2Confident99 Ų9983.1 Ų83.146%0.46341%0.414SS..Hα-helixtrans-67.4-38178.4-71-58.1134.700111.8A29 V30 F31 K36 L37A29-E33 WeakPolarHBondContact O-CG 3.38Å; A29-E33 PolarHBondContact O-N 3.42Å; V30-E33 PolarHBondContact O-N 3.28Å; F31-E33 PolarHBondContact O-N 2.93Å; E33-K36 PolarHBondContact O-N 2.94Å; E33-L37 WeakPolarHBondContact O-CB 3.26Å; E33-L37 PolarHBondContact O-N 3.48Å
34L85.7Confident85.7Confident58 Ų5875.9 Ų75.930%0.30439%0.393SS..Hα-helixtrans-64.8-43173.6-72.5175.4000112V30 F31 K36 L37 V38 I242 L246V30-L34 HydrophobicContact CG1-CD1 4Å; V30-L34 HydrophobicContact CG1-CG 4.39Å; V30-L34 WeakPolarHBondContact O-CB 3.32Å; V30-L34 WeakPolarHBondContact O-CG 3.48Å; V30-L34 PolarHBondContact O-N 3.31Å; F31-L34 PolarHBondContact O-N 3.2Å; L34-K36 VanDerWaalsContact C-N 3.33Å; L34-K36 PolarHBondContact O-N 3.41Å; L34-L37 PolarHBondContact O-N 3.49Å; L34-V38 VanDerWaalsContact O-CG2 3.32Å; L34-V38 WeakPolarHBondContact O-CG2 3.22Å; L34-V38 PolarHBondContact O-N 2.79Å; L34-V38 VanDerWaalsContact O-N 3.16Å; L34-I242 HydrophobicContact CB-CD1 4.02Å; L34-I242 HydrophobicContact CB-CG1 4.3Å; L34-I242 HydrophobicContact CB-CG2 3.85Å; L34-I242 HydrophobicContact CD1-CG2 4.17Å; L34-L246 HydrophobicContact CD1-CD2 4.18Å
35V87.2Confident86.2Confident18 Ų1872.3 Ų72.311%0.10938%0.376CS..Hα-helixtrans-59.9-45.9174.6168.90000110.3F31 K32 L37 V38 D39 T238 Q239 I242F31-V35 HydrophobicContact CD1-CG2 4.16Å; F31-V35 HydrophobicContact CE1-CG2 3.75Å; F31-V35 HydrophobicContact CE2-CG2 4.26Å; F31-V35 HydrophobicContact CZ-CG2 3.8Å; F31-V35 WeakPolarHBondContact O-CG2 3.32Å; F31-V35 PolarHBondContact O-N 3.47Å; K32-V35 PolarHBondContact O-N 3.36Å; V35-L37 VanDerWaalsContact C-N 3.26Å; V35-L37 PolarHBondContact O-N 3.32Å; V35-V38 PolarHBondContact O-N 2.99Å; V35-D39 HydrophobicContact CG1-CB 4.47Å; V35-D39 VanDerWaalsContact O-CB 3.22Å; V35-D39 WeakPolarHBondContact O-CB 3.25Å; V35-D39 PolarHBondContact O-N 3.39Å; V35-T238 HydrophobicContact CB-CG2 4.44Å; V35-T238 HydrophobicContact CG1-CG2 4.09Å; V35-T238 HydrophobicContact CG2-CG2 4.48Å; V35-Q239 HydrophobicContact CG1-CG 4.3Å; V35-Q239 HydrophobicContact CG2-CG 4.21Å; V35-I242 HydrophobicContact CG2-CB 4.13Å; V35-I242 HydrophobicContact CG2-CG1 4.02Å; V35-I242 HydrophobicContact CG2-CG2 4.27Å
36K86.4Confident86.8Confident149 Ų14973.9 Ų73.965%0.64839%0.389SS*.Hα-helixtrans-62.9-30.3178.2-175.8-179.4177.8-176.50113.4K32 E33 L34K32-K36 WeakPolarHBondContact O-CB 3.29Å; K32-K36 PolarHBondContact O-N 3.23Å; E33-K36 PolarHBondContact O-N 2.94Å; L34-K36 VanDerWaalsContact C-N 3.33Å; L34-K36 PolarHBondContact O-N 3.41Å
37L83.1Confident87.2Confident96 Ų9671.6 Ų71.650%0.50338%0.378SS..Hα-helixtrans-73.7-34.2177.4-16774.7000112.1E33 L34 V35 L211E33-L37 WeakPolarHBondContact O-CB 3.26Å; E33-L37 PolarHBondContact O-N 3.48Å; L34-L37 PolarHBondContact O-N 3.49Å; V35-L37 VanDerWaalsContact C-N 3.26Å; V35-L37 PolarHBondContact O-N 3.32Å; L37-L211 HydrophobicContact CB-CD2 4.47Å; L37-L211 HydrophobicContact CD2-CD1 3.84Å; L37-L211 HydrophobicContact CD2-CD2 3.89Å; L37-L211 HydrophobicContact CD2-CG 4.33Å; L37-L211 HydrophobicContact CG-CD2 4.05Å
38V83.5Confident87.7Confident8 Ų870.5 Ų70.55%0.04838%0.378CS..Hα-helixtrans-90.8-32.4-177.2177.80000112.7L34 V35 P40 L211 V214 F236 T238 I242L34-V38 VanDerWaalsContact O-CG2 3.32Å; L34-V38 WeakPolarHBondContact O-CG2 3.22Å; L34-V38 PolarHBondContact O-N 2.79Å; L34-V38 VanDerWaalsContact O-N 3.16Å; V35-V38 PolarHBondContact O-N 2.99Å; V38-P40 WeakPolarHBondContact O-CD 3.5Å; V38-L211 HydrophobicContact CB-CD2 4.16Å; V38-L211 HydrophobicContact CG2-CD2 3.2Å; V38-V214 WeakPolarHBondContact O-CG1 3.45Å; V38-F236 HydrophobicContact CG1-CE1 3.7Å; V38-F236 HydrophobicContact CG1-CZ 3.59Å; V38-T238 HydrophobicContact CB-CG2 3.6Å; V38-T238 HydrophobicContact CG1-CG2 3.51Å; V38-I242 HydrophobicContact CG2-CD1 3.86Å; V38-I242 HydrophobicContact CG2-CG1 4.48Å
39D86Confident88Confident70 Ų7071.6 Ų71.637%0.37438%0.382SS..  trans-90.4115-176.7-170-3.3000110.1V35 G41 T238V35-D39 HydrophobicContact CG1-CB 4.47Å; V35-D39 VanDerWaalsContact O-CB 3.22Å; V35-D39 WeakPolarHBondContact O-CB 3.25Å; V35-D39 PolarHBondContact O-N 3.39Å; D39-G41 PolarHBondContact O-N 3.35Å; D39-G41 PolarHBondContact OD1-N 3.15Å; D39-T238 HydrophobicContact CB-CG2 4.07Å
40P84.8Confident88Confident34 Ų3474 Ų7422%0.22141%0.408CS..  trans-71.4-10.8175.229.6-32000112.8V38 V42 V214 K218 P220V38-P40 WeakPolarHBondContact O-CD 3.5Å; P40-V42 HydrophobicContact CB-CG2 4.43Å; P40-V42 HydrophobicContact CG-CB 4.49Å; P40-V42 PolarHBondContact O-N 2.91Å; P40-V214 HydrophobicContact CB-CG1 3.85Å; P40-V214 HydrophobicContact CG-CG1 3.94Å; P40-K218 WeakPolarHBondContact CB-O 3.29Å; P40-P220 HydrophobicContact CG-CB 3.96Å
41G85.6Confident88.2Confident68 Ų6877.5 Ų77.570%0.70142%0.419SS*.SBendtrans74.112.8-175.100000113.6D39D39-G41 PolarHBondContact O-N 3.35Å; D39-G41 PolarHBondContact OD1-N 3.15Å
42V86Confident88.6Confident78 Ų7879.9 Ų79.947%0.47343%0.43SS..  trans-106.4130.5179.5-178.70000108.9P40 A44P40-V42 HydrophobicContact CB-CG2 4.43Å; P40-V42 HydrophobicContact CG-CB 4.49Å; P40-V42 PolarHBondContact O-N 2.91Å; V42-A44 PolarHBondContact O-N 3Å
43K87.4Confident89Confident187 Ų18774.5 Ų74.581%0.81341%0.407SS*.PPolyproline II helixtrans-66.7126.9176.3-173.4178.3178-177.20109.5
44A89.9Confident89.5Confident30 Ų3069.9 Ų69.925%0.24839%0.385CS..PPolyproline II helixtrans-62.6146175.100000111.5V42 P220 I222V42-A44 PolarHBondContact O-N 3Å; A44-P220 HydrophobicContact CB-CB 4.3Å; A44-P220 HydrophobicContact CB-CG 3.62Å; A44-I222 HydrophobicContact CB-CG2 3.68Å
45W92.4Very high90.1Very high72 Ų7267.2 Ų67.227%0.27337%0.371SS..PPolyproline II helixtrans-63.6138169.3178.4100.6000109.9P47 N53 I55 D166 N167W45-P47 HydrophobicContact CH2-CB 3.64Å; W45-P47 HydrophobicContact CH2-CG 4.41Å; W45-P47 HydrophobicContact CZ2-CB 4.41Å; W45-P47 HydrophobicContact CZ3-CB 3.93Å; W45-P47 HydrophobicContact CZ3-CG 4.2Å; W45-N53 HydrophobicContact CH2-CB 3.77Å; W45-N53 HydrophobicContact CZ2-CB 4.05Å; W45-I55 HydrophobicContact CH2-CD1 4.06Å; W45-I55 HydrophobicContact CH2-CG1 4.04Å; W45-I55 HydrophobicContact CZ3-CD1 3.86Å; W45-I55 HydrophobicContact CZ3-CG1 4.15Å; W45-D166 HydrophobicContact CZ2-CB 3.65Å; W45-D166 PolarHBondContact NE1-O 3.46Å; W45-N167 HydrophobicContact CD2-CB 3.65Å; W45-N167 HydrophobicContact CE3-CB 3.67Å; W45-N167 VanDerWaalsContact CE3-ND2 3.27Å; W45-N167 HydrophobicContact CG-CB 4.07Å; W45-N167 HydrophobicContact CH2-CB 4.29Å; W45-N167 HydrophobicContact CZ2-CB 4.32Å; W45-N167 HydrophobicContact CZ3-CB 3.99Å
46T92.7Very high90.5Very high90 Ų9066.3 Ų66.355%0.55237%0.366SS*.  trans-129.6131178.951.70000109.7
47P94.4Very high91Very high17 Ų1759.2 Ų59.211%0.1134%0.335CS..  trans-64.8150.5179.227.5-33.5000111.1W45 N53 Y76 W81 I137W45-P47 HydrophobicContact CH2-CB 3.64Å; W45-P47 HydrophobicContact CH2-CG 4.41Å; W45-P47 HydrophobicContact CZ2-CB 4.41Å; W45-P47 HydrophobicContact CZ3-CB 3.93Å; W45-P47 HydrophobicContact CZ3-CG 4.2Å; P47-N53 VanDerWaalsContact CA-OD1 3.3Å; P47-N53 WeakPolarHBondContact CA-OD1 3.39Å; P47-N53 HydrophobicContact CB-CB 4.11Å; P47-N53 WeakPolarHBondContact CB-OD1 3.5Å; P47-Y76 WeakPolarHBondContact CD-OH 3.24Å; P47-Y76 HydrophobicContact CG-CE1 3.75Å; P47-Y76 WeakPolarHBondContact CG-OH 3.48Å; P47-W81 HydrophobicContact CB-CH2 3.9Å; P47-W81 HydrophobicContact CB-CZ3 4.07Å; P47-W81 HydrophobicContact CG-CH2 3.99Å; P47-W81 HydrophobicContact CG-CZ2 4.28Å; P47-W81 HydrophobicContact CG-CZ3 4.45Å; P47-I137 HydrophobicContact CB-CD1 3.59Å; P47-I137 HydrophobicContact CG-CD1 4Å
48T93.8Very high91.5Very high76 Ų7654.7 Ų54.747%0.46631%0.311SS..  trans-104.9130.3177-57.70000110.1K51 N53T48-K51 HydrophobicContact CG2-CD 4.2Å; T48-K51 HydrophobicContact CG2-CG 4.42Å; T48-K51 PolarHBondContact O-N 3.19Å; T48-N53 PolarHBondContact N-OD1 3.36Å; T48-N53 PolarHBondContact O-ND2 3.43Å; T48-N53 VanDerWaalsContact O-ND2 3.11Å
49K90.4Very high91.8Very high124 Ų12454.3 Ų54.354%0.53931%0.309SS..THydrogen-bonded Turntrans-63.8145.6177.2-80.4-157.4171.6-1620111.1K51 W81K49-K51 PolarHBondContact O-N 2.86Å; K49-W81 HydrophobicContact CB-CH2 4.08Å; K49-W81 HydrophobicContact CB-CZ3 4.29Å; K49-W81 HydrophobicContact CD-CZ2 4.31Å; K49-W81 HydrophobicContact CG-CD2 4.23Å; K49-W81 HydrophobicContact CG-CE3 4.14Å; K49-W81 HydrophobicContact CG-CH2 3.34Å; K49-W81 HydrophobicContact CG-CZ2 3.39Å; K49-W81 HydrophobicContact CG-CZ3 3.72Å; K49-W81 VanDerWaalsContact N-CH2 3.31Å
50G88.6Confident91.9Very high68 Ų6851.7 Ų51.770%0.70130%0.295SS*.THydrogen-bonded Turntrans73.41.8-178.100000115.3E136G50-E136 PolarHBondContact N-OE1 2.92Å
51K92.9Very high92Very high137 Ų13756.7 Ų56.760%0.59632%0.315SS*.SBendtrans-112.1155170.7-66.2-171.7178.3-176.10110T48 K49 N53T48-K51 HydrophobicContact CG2-CD 4.2Å; T48-K51 HydrophobicContact CG2-CG 4.42Å; T48-K51 PolarHBondContact O-N 3.19Å; K49-K51 PolarHBondContact O-N 2.86Å; K51-N53 PolarHBondContact O-ND2 3.43Å
52Q94.3Very high92.1Very high78 Ų7855.7 Ų55.736%0.36431%0.306SS..  trans-74.1128.6167.8-67.1166.1-3.200107.8K131Q52-K131 VanDerWaalsContact CD-CG 3.48Å; Q52-K131 HydrophobicContact CG-CG 4.37Å; Q52-K131 VanDerWaalsContact NE2-CA 3.35Å; Q52-K131 PolarHBondContact NE2-O 3.28Å; Q52-K131 VanDerWaalsContact OE1-CD 3.29Å
53N97.5Very high92.3Very high7 Ų752 Ų524%0.03728%0.283CS..EExtended strand (participates in β ladder)trans-125.2110.6176.5-48.8-101.7000108.7W45 P47 T48 K51 E136 I137 I138 D166W45-N53 HydrophobicContact CH2-CB 3.77Å; W45-N53 HydrophobicContact CZ2-CB 4.05Å; P47-N53 VanDerWaalsContact CA-OD1 3.3Å; P47-N53 WeakPolarHBondContact CA-OD1 3.39Å; P47-N53 HydrophobicContact CB-CB 4.11Å; P47-N53 WeakPolarHBondContact CB-OD1 3.5Å; T48-N53 PolarHBondContact N-OD1 3.36Å; T48-N53 PolarHBondContact O-ND2 3.43Å; T48-N53 VanDerWaalsContact O-ND2 3.11Å; K51-N53 PolarHBondContact O-ND2 3.43Å; N53-E136 WeakPolarHBondContact CB-O 3.47Å; N53-E136 PolarHBondContact N-O 2.97Å; N53-E136 PolarHBondContact ND2-O 3.03Å; N53-I137 HydrophobicContact CB-CD1 4.08Å; N53-I138 PolarHBondContact O-N 2.89Å; N53-D166 WeakPolarHBondContact CA-OD2 3.39Å
54V97.3Very high92.6Very high2 Ų244.2 Ų44.21%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-95.8121.4-179.5-176.20000109.4V127 I138 V140 I163 P165 D166 N167V54-V127 HydrophobicContact CG1-CG2 4.22Å; V54-V127 HydrophobicContact CG2-CG1 4.2Å; V54-I138 CarbonylContact C-O 3.51Å; V54-I138 WeakPolarHBondContact CA-O 3.4Å; V54-I138 HydrophobicContact CG2-CB 4.34Å; V54-I138 HydrophobicContact CG2-CD1 4.32Å; V54-V140 HydrophobicContact CG1-CG2 4.45Å; V54-I163 HydrophobicContact CG1-CD1 4.33Å; V54-I163 HydrophobicContact CG1-CG1 4.48Å; V54-P165 HydrophobicContact CG1-CB 4.31Å; V54-P165 CarbonylContact O-C 3.57Å; V54-D166 PolarHBondContact N-OD2 3.43Å; V54-D166 PolarHBondContact O-N 3.03Å; V54-N167 PolarHBondContact O-N 3.46Å
55I97.6Very high92.8Very high2 Ų243.3 Ų43.31%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-120.8118.3-176.3-51.1175.6000109W45 F57 L72 I137 I138 I139 V140 N167 V169W45-I55 HydrophobicContact CH2-CD1 4.06Å; W45-I55 HydrophobicContact CH2-CG1 4.04Å; W45-I55 HydrophobicContact CZ3-CD1 3.86Å; W45-I55 HydrophobicContact CZ3-CG1 4.15Å; I55-F57 HydrophobicContact CG2-CD2 4.1Å; I55-F57 HydrophobicContact CG2-CE2 3.69Å; I55-L72 HydrophobicContact CD1-CD2 4.21Å; I55-I137 HydrophobicContact CD1-CG2 4.18Å; I55-I138 PolarHBondContact N-O 3.28Å; I55-I139 HydrophobicContact CB-CG1 4.41Å; I55-I139 WeakPolarHBondContact O-CA 3.29Å; I55-V140 PolarHBondContact O-N 3.49Å; I55-N167 WeakPolarHBondContact CA-O 3.42Å; I55-N167 HydrophobicContact CG2-CB 4.48Å; I55-V169 HydrophobicContact CG2-CG2 3.51Å
56M96.8Very high92.9Very high0 Ų040.3 Ų40.30%024%0.236CC..EExtended strand (participates in β ladder)trans-100.4131.9178.7-170.9177.66800110.9V58 V140 T142 V159 A160 I163 P165 N167 I168 V169M56-V58 HydrophobicContact CE-CG1 3.77Å; M56-V58 HydrophobicContact CG-CG1 4.36Å; M56-V140 HydrophobicContact CG-CB 4.5Å; M56-T142 HydrophobicContact CG-CG2 3.73Å; M56-T142 HydrophobicContact SD-CG2 4.05Å; M56-V159 HydrophobicContact SD-CG1 3.97Å; M56-A160 HydrophobicContact CE-CB 3.78Å; M56-A160 HydrophobicContact SD-CB 4.33Å; M56-I163 HydrophobicContact CB-CD1 4.3Å; M56-I163 HydrophobicContact CG-CD1 4.33Å; M56-I163 HydrophobicContact SD-CD1 4.06Å; M56-P165 HydrophobicContact CB-CB 3.87Å; M56-P165 HydrophobicContact CB-CG 4.1Å; M56-P165 HydrophobicContact CE-CG 4.39Å; M56-N167 PolarHBondContact N-O 2.97Å; M56-I168 HydrophobicContact CB-CG1 4.46Å; M56-I168 HydrophobicContact CE-CD1 3.67Å; M56-I168 HydrophobicContact CE-CG1 3.93Å; M56-I168 HydrophobicContact CE-CG2 4.04Å; M56-I168 WeakPolarHBondContact O-CA 3.21Å; M56-V169 PolarHBondContact O-N 3.16Å
57F96.3Very high93Very high0 Ų038.6 Ų38.60%023%0.225CC..EExtended strand (participates in β ladder)trans-102.6121.5-179.6-85-120.2000110.7I55 T68 C69 L72 I139 V140 T142 V169 V171 I197I55-F57 HydrophobicContact CG2-CD2 4.1Å; I55-F57 HydrophobicContact CG2-CE2 3.69Å; F57-T68 HydrophobicContact CD1-CG2 4.49Å; F57-T68 HydrophobicContact CE1-CG2 3.67Å; F57-C69 VanDerWaalsContact CD1-SG 3.51Å; F57-C69 WeakPolarHBondContact CG-SG 3.35Å; F57-L72 HydrophobicContact CE2-CD2 3.71Å; F57-L72 HydrophobicContact CZ-CB 4.13Å; F57-L72 HydrophobicContact CZ-CD2 3.47Å; F57-L72 VanDerWaalsContact CZ-CD2 3.47Å; F57-L72 HydrophobicContact CZ-CG 4.38Å; F57-I139 HydrophobicContact CD2-CG2 3.78Å; F57-I139 HydrophobicContact CE2-CG2 3.73Å; F57-V140 PolarHBondContact N-O 3.42Å; F57-T142 WeakPolarHBondContact O-CG2 3.33Å; F57-T142 PolarHBondContact O-OG1 3.38Å; F57-V169 HydrophobicContact CD2-CB 4.31Å; F57-V169 HydrophobicContact CE1-CG1 4.23Å; F57-V169 HydrophobicContact CE2-CB 4.27Å; F57-V169 HydrophobicContact CE2-CG2 4.21Å; F57-V169 HydrophobicContact CG-CB 4.47Å; F57-V169 HydrophobicContact CZ-CB 4.38Å; F57-V169 HydrophobicContact CZ-CG1 4.32Å; F57-V169 HydrophobicContact CZ-CG2 4.46Å; F57-V171 HydrophobicContact CD1-CG2 3.49Å; F57-V171 VanDerWaalsContact CD1-CG2 3.49Å; F57-V171 HydrophobicContact CE1-CG2 3.99Å; F57-V171 HydrophobicContact CG-CG2 4.46Å; F57-I197 HydrophobicContact CE1-CD1 4Å; F57-I197 HydrophobicContact CZ-CD1 4.14Å
58V93.3Very high93.1Very high0 Ų038 Ų380%022%0.221CC..EExtended strand (participates in β ladder)trans-125158.9179.9-61.50000111.3M56 M156 I168 V169 Y170 V171 F187 V193M56-V58 HydrophobicContact CE-CG1 3.77Å; M56-V58 HydrophobicContact CG-CG1 4.36Å; V58-M156 HydrophobicContact CB-SD 4.33Å; V58-M156 HydrophobicContact CG1-SD 4.1Å; V58-I168 HydrophobicContact CG1-CG2 4.12Å; V58-I168 HydrophobicContact CG2-CG2 3.65Å; V58-V169 PolarHBondContact N-O 3.32Å; V58-Y170 HydrophobicContact CG2-CD2 4.4Å; V58-Y170 WeakPolarHBondContact O-CA 3.18Å; V58-V171 PolarHBondContact O-N 3.35Å; V58-F187 HydrophobicContact CB-CD1 4.19Å; V58-F187 HydrophobicContact CB-CE1 4.2Å; V58-F187 HydrophobicContact CG2-CD1 4.13Å; V58-V193 HydrophobicContact CG2-CG2 4.38Å
59G90.7Very high93.2Very high0 Ų034.3 Ų34.30%020%0.199CC..  trans147.7175.2177.800000113.1K65 G144G59-K65 PolarHBondContact O-NZ 2.68Å; G59-G144 WeakPolarHBondContact O-CA 3.32Å
60L87.2Confident93.5Very high15 Ų1528.6 Ų28.68%0.07917%0.174CC..  trans-62.8164.5-174.8-65.5-175.3000113.6G62 S63 K65 R145 I176 Q183 F187L60-G62 PolarHBondContact O-N 2.82Å; L60-S63 PolarHBondContact O-N 3.14Å; L60-S63 PolarHBondContact O-OG 3.44Å; L60-S63 VanDerWaalsContact O-OG 3.09Å; L60-K65 PolarHBondContact O-NZ 3.19Å; L60-R145 WeakPolarHBondContact CD2-O 3.28Å; L60-I176 HydrophobicContact CD1-CD1 4.11Å; L60-Q183 HydrophobicContact CD1-CG 4.32Å; L60-F187 HydrophobicContact CD2-CE2 4.07Å; L60-F187 HydrophobicContact CD2-CZ 4.47Å
61Q87.6Confident93.9Very high139 Ų13925.7 Ų25.765%0.6514%0.142SC*.THydrogen-bonded Turntrans-59.6137168-164.6176.4-0.200110.4S63 G144Q61-S63 PolarHBondContact O-N 2.9Å; Q61-G144 WeakPolarHBondContact CB-O 3.49Å
62G88.2Confident94.1Very high48 Ų4819.2 Ų19.250%0.49511%0.114SC..THydrogen-bonded Turntrans73.34.9177.600000115.7L60 G64 K200L60-G62 PolarHBondContact O-N 2.82Å; G62-G64 PolarHBondContact O-N 3.08Å; G62-K200 WeakPolarHBondContact O-CE 3.35Å; G62-K200 PolarHBondContact O-NZ 3.24Å
63S90Very high94.3Very high1 Ų115.5 Ų15.51%0.00710%0.097CC..SBendtrans-71.6-10.4176.270.90000114.1L60 Q61 V171 T199L60-S63 PolarHBondContact O-N 3.14Å; L60-S63 PolarHBondContact O-OG 3.44Å; L60-S63 VanDerWaalsContact O-OG 3.09Å; Q61-S63 PolarHBondContact O-N 2.9Å; S63-V171 VanDerWaalsContact CB-O 3.31Å; S63-V171 WeakPolarHBondContact CB-O 3.31Å; S63-V171 WeakPolarHBondContact O-CG1 3.38Å; S63-V171 PolarHBondContact OG-O 3.3Å; S63-V171 VanDerWaalsContact OG-O 3.13Å; S63-T199 WeakPolarHBondContact O-CG2 3.4Å; S63-T199 PolarHBondContact O-OG1 2.88Å
64G92.6Very high94.2Very high22 Ų2218.1 Ų18.123%0.22711%0.107CC..  trans95.819.3177.200000115.3G62 T67 T68G62-G64 PolarHBondContact O-N 3.08Å; G64-T67 PolarHBondContact O-N 3.43Å; G64-T68 WeakPolarHBondContact O-CB 3.34Å; G64-T68 PolarHBondContact O-N 3.38Å; G64-T68 PolarHBondContact O-OG1 3.16Å
65K94.5Very high94Very high12 Ų1220.3 Ų20.35%0.05212%0.115CC..Hα-helixtrans-48.6-61.3179.7-65.1-168.8-61.3-71.80113.7G59 L60 T67 T68 C69 D141 T142 S143 V171G59-K65 PolarHBondContact O-NZ 2.68Å; L60-K65 PolarHBondContact O-NZ 3.19Å; K65-T67 VanDerWaalsContact C-N 3.31Å; K65-T67 PolarHBondContact O-N 3.42Å; K65-T68 CarbonylContact O-C 3.59Å; K65-T68 WeakPolarHBondContact O-CA 3.47Å; K65-T68 WeakPolarHBondContact O-CB 3.48Å; K65-T68 PolarHBondContact O-N 3.38Å; K65-C69 PolarHBondContact O-N 3.26Å; K65-C69 PolarHBondContact O-SG 3.4Å; K65-D141 WeakPolarHBondContact CB-OD1 3.32Å; K65-T142 WeakPolarHBondContact CE-O 3.35Å; K65-S143 WeakPolarHBondContact CE-O 3.49Å; K65-V171 HydrophobicContact CG-CB 3.95Å; K65-V171 HydrophobicContact CG-CG1 4.46Å; K65-V171 HydrophobicContact CG-CG2 4.1Å
66T94.2Very high94Very high9 Ų921.5 Ų21.56%0.05512%0.12CC..Hα-helixtrans-51.5-46-179.3-48.20000113.2S70 Q98 L99 D141T66-S70 PolarHBondContact O-N 2.97Å; T66-S70 PolarHBondContact O-OG 3.29Å; T66-Q98 HydrophobicContact CG2-CG 4.24Å; T66-L99 HydrophobicContact CG2-CB 4Å; T66-L99 HydrophobicContact CG2-CD1 3.85Å; T66-D141 WeakPolarHBondContact CA-OD2 3.4Å; T66-D141 VanDerWaalsContact CB-OD2 3.23Å; T66-D141 WeakPolarHBondContact CB-OD2 3.42Å; T66-D141 WeakPolarHBondContact CG2-OD2 3.33Å; T66-D141 PolarHBondContact N-OD1 3.34Å; T66-D141 PolarHBondContact OG1-OD2 3.45Å
67T94.5Very high93.8Very high53 Ų5324.6 Ų24.633%0.32513%0.134SC..Hα-helixtrans-66.3-40.9176.3-51.40000111.4G64 K65 S70 K71G64-T67 PolarHBondContact O-N 3.43Å; K65-T67 VanDerWaalsContact C-N 3.31Å; K65-T67 PolarHBondContact O-N 3.42Å; T67-S70 PolarHBondContact O-N 2.86Å; T67-K71 HydrophobicContact CG2-CD 4.29Å; T67-K71 VanDerWaalsContact O-CG 3.3Å; T67-K71 WeakPolarHBondContact O-CG 3.4Å; T67-K71 PolarHBondContact O-N 2.82Å
68T96.7Very high93.5Very high4 Ų431.8 Ų31.83%0.02516%0.161CC..Hα-helixtrans-67.7-36.4180-50.20000111.9F57 G64 K65 S70 K71 L72 I197 T199 F233F57-T68 HydrophobicContact CD1-CG2 4.49Å; F57-T68 HydrophobicContact CE1-CG2 3.67Å; G64-T68 WeakPolarHBondContact O-CB 3.34Å; G64-T68 PolarHBondContact O-N 3.38Å; G64-T68 PolarHBondContact O-OG1 3.16Å; K65-T68 CarbonylContact O-C 3.59Å; K65-T68 WeakPolarHBondContact O-CA 3.47Å; K65-T68 WeakPolarHBondContact O-CB 3.48Å; K65-T68 PolarHBondContact O-N 3.38Å; T68-S70 PolarHBondContact O-N 3.36Å; T68-K71 WeakPolarHBondContact O-CB 3.43Å; T68-K71 PolarHBondContact O-N 2.91Å; T68-L72 WeakPolarHBondContact O-CB 3.33Å; T68-L72 PolarHBondContact O-N 2.99Å; T68-I197 HydrophobicContact CG2-CB 4.41Å; T68-I197 HydrophobicContact CG2-CD1 3.77Å; T68-I197 HydrophobicContact CG2-CG2 3.73Å; T68-T199 WeakPolarHBondContact OG1-CG2 3.37Å; T68-F233 HydrophobicContact CG2-CE2 3.87Å; T68-F233 HydrophobicContact CG2-CZ 4.31Å
69C97.1Very high93.4Very high0 Ų036 Ų360%018%0.18CC..Hα-helixtrans-57.6-49.6172.9-65.70000110.5F57 K65 K71 L72 A73 L85 I139 D141F57-C69 VanDerWaalsContact CD1-SG 3.51Å; F57-C69 WeakPolarHBondContact CG-SG 3.35Å; K65-C69 PolarHBondContact O-N 3.26Å; K65-C69 PolarHBondContact O-SG 3.4Å; C69-K71 PolarHBondContact O-N 2.96Å; C69-L72 PolarHBondContact O-N 3.01Å; C69-A73 WeakPolarHBondContact O-CB 3.41Å; C69-A73 PolarHBondContact O-N 3.48Å; C69-L85 HydrophobicContact CB-CD2 3.96Å; C69-I139 HydrophobicContact CB-CG2 3.78Å; C69-D141 HydrophobicContact CB-CB 4.45Å
70S96.6Very high93.4Very high3 Ų338.7 Ų38.72%0.02121%0.207CC..Hα-helixtrans-62.7-39.9176.2-53.10000112.7T66 T67 T68 Y74 N102T66-S70 PolarHBondContact O-N 2.97Å; T66-S70 PolarHBondContact O-OG 3.29Å; T67-S70 PolarHBondContact O-N 2.86Å; T68-S70 PolarHBondContact O-N 3.36Å; S70-Y74 VanDerWaalsContact O-CB 3.3Å; S70-Y74 WeakPolarHBondContact O-CB 3.45Å; S70-Y74 PolarHBondContact O-N 3.48Å; S70-N102 VanDerWaalsContact OG-CB 3.26Å; S70-N102 WeakPolarHBondContact OG-CB 3.48Å
71K96.8Very high93.9Very high7 Ų739.5 Ų39.53%0.0321%0.209CC..Hα-helixtrans-62.6-48176.1-74.9175169.9-153.50112.7T67 T68 C69 Y74 Y75 G227 H229 I230 D232 F233T67-K71 HydrophobicContact CG2-CD 4.29Å; T67-K71 VanDerWaalsContact O-CG 3.3Å; T67-K71 WeakPolarHBondContact O-CG 3.4Å; T67-K71 PolarHBondContact O-N 2.82Å; T68-K71 WeakPolarHBondContact O-CB 3.43Å; T68-K71 PolarHBondContact O-N 2.91Å; C69-K71 PolarHBondContact O-N 2.96Å; K71-Y74 PolarHBondContact O-N 2.82Å; K71-Y75 WeakPolarHBondContact O-CB 3.3Å; K71-Y75 PolarHBondContact O-N 3.3Å; K71-G227 PolarHBondContact NZ-O 3.15Å; K71-H229 WeakPolarHBondContact CE-O 3.4Å; K71-H229 PolarHBondContact NZ-O 3.01Å; K71-H229 VanDerWaalsContact NZ-O 3.17Å; K71-I230 HydrophobicContact CG-CG1 4.33Å; K71-D232 PolarHBondContact NZ-O 3.08Å; K71-F233 HydrophobicContact CB-CB 3.96Å; K71-F233 HydrophobicContact CB-CD1 4.06Å; K71-F233 HydrophobicContact CB-CD2 3.85Å; K71-F233 HydrophobicContact CB-CE1 4.5Å; K71-F233 HydrophobicContact CB-CE2 4.31Å; K71-F233 HydrophobicContact CB-CG 3.7Å; K71-F233 HydrophobicContact CD-CB 4.07Å; K71-F233 HydrophobicContact CD-CD2 3.89Å; K71-F233 HydrophobicContact CD-CG 4.22Å; K71-F233 HydrophobicContact CG-CB 4.2Å; K71-F233 HydrophobicContact CG-CD2 4.44Å; K71-F233 HydrophobicContact CG-CG 4.38Å
72L97Very high94.3Very high2 Ų237.5 Ų37.51%0.0120%0.198CC..Hα-helixtrans-63.9-44.5179.6-173.869.4000110.9I55 F57 T68 C69 Y74 Y75 Y76 I139 F223 F233I55-L72 HydrophobicContact CD1-CD2 4.21Å; F57-L72 HydrophobicContact CE2-CD2 3.71Å; F57-L72 HydrophobicContact CZ-CB 4.13Å; F57-L72 HydrophobicContact CZ-CD2 3.47Å; F57-L72 VanDerWaalsContact CZ-CD2 3.47Å; F57-L72 HydrophobicContact CZ-CG 4.38Å; T68-L72 WeakPolarHBondContact O-CB 3.33Å; T68-L72 PolarHBondContact O-N 2.99Å; C69-L72 PolarHBondContact O-N 3.01Å; L72-Y74 PolarHBondContact O-N 3.45Å; L72-Y75 PolarHBondContact O-N 3.08Å; L72-Y76 HydrophobicContact CD1-CD2 3.92Å; L72-Y76 HydrophobicContact CD1-CE2 3.54Å; L72-Y76 HydrophobicContact CD2-CE2 4.19Å; L72-Y76 HydrophobicContact CG-CD2 3.86Å; L72-Y76 HydrophobicContact CG-CE2 3.81Å; L72-Y76 WeakPolarHBondContact O-CD2 3.38Å; L72-Y76 PolarHBondContact O-N 2.73Å; L72-I139 HydrophobicContact CB-CD1 4.17Å; L72-I139 HydrophobicContact CD2-CD1 3.97Å; L72-I139 HydrophobicContact CD2-CG1 4.35Å; L72-I139 HydrophobicContact CG-CD1 4.13Å; L72-F223 HydrophobicContact CD1-CD2 3.96Å; L72-F223 HydrophobicContact CD1-CE2 3.61Å; L72-F223 HydrophobicContact CD1-CZ 4.04Å; L72-F233 HydrophobicContact CB-CE1 4.18Å; L72-F233 HydrophobicContact CB-CZ 4.27Å; L72-F233 HydrophobicContact CD1-CE1 3.77Å; L72-F233 HydrophobicContact CD1-CZ 4.06Å
73A97.1Very high94.7Very high0 Ų035.4 Ų35.40%018%0.176CC..Hα-helixtrans-60.6-45.7176.900000111.2C69 Y75 Y76 Q77 T83 L85 I108 I139C69-A73 WeakPolarHBondContact O-CB 3.41Å; C69-A73 PolarHBondContact O-N 3.48Å; A73-Y75 PolarHBondContact O-N 2.89Å; A73-Y76 PolarHBondContact O-N 3.13Å; A73-Q77 WeakPolarHBondContact O-CB 3.25Å; A73-Q77 PolarHBondContact O-N 3.04Å; A73-T83 WeakPolarHBondContact O-CG2 3.44Å; A73-T83 PolarHBondContact O-OG1 3.15Å; A73-L85 HydrophobicContact CB-CD2 3.83Å; A73-L85 HydrophobicContact CB-CG 4.22Å; A73-I108 HydrophobicContact CB-CD1 3.56Å; A73-I108 HydrophobicContact CB-CG2 4.18Å; A73-I139 HydrophobicContact CB-CD1 3.72Å
74Y95.8Very high95.1Very high61 Ų6135.3 Ų35.324%0.23918%0.175CC..Hα-helixtrans-64.2-40.9177.2-175.1-111000113S70 K71 L72 Y76 Q77 R78 A106 I230 D231S70-Y74 VanDerWaalsContact O-CB 3.3Å; S70-Y74 WeakPolarHBondContact O-CB 3.45Å; S70-Y74 PolarHBondContact O-N 3.48Å; K71-Y74 PolarHBondContact O-N 2.82Å; L72-Y74 PolarHBondContact O-N 3.45Å; Y74-Y76 PolarHBondContact O-N 3.14Å; Y74-Q77 PolarHBondContact O-N 3.23Å; Y74-R78 VanDerWaalsContact CE1-CD 3.45Å; Y74-R78 HydrophobicContact CE1-CG 4.13Å; Y74-R78 HydrophobicContact CE2-CG 4.35Å; Y74-R78 WeakPolarHBondContact O-CG 3.39Å; Y74-R78 PolarHBondContact O-N 3.35Å; Y74-A106 HydrophobicContact CD2-CB 4.21Å; Y74-I230 HydrophobicContact CD1-CD1 4.26Å; Y74-I230 HydrophobicContact CD1-CG1 4Å; Y74-I230 HydrophobicContact CD1-CG2 4.27Å; Y74-I230 HydrophobicContact CD2-CD1 4.26Å; Y74-I230 HydrophobicContact CE1-CG2 4.36Å; Y74-I230 HydrophobicContact CG-CD1 3.79Å; Y74-I230 HydrophobicContact CG-CG1 4Å; Y74-D231 VanDerWaalsContact CE1-OD1 3.23Å; Y74-D231 WeakPolarHBondContact CE1-OD1 3.17Å
75Y94.5Very high95.4Very high48 Ų4834.3 Ų34.319%0.18817%0.165CC..Hα-helixtrans-58.2-47.9175.1172.2-93000112K71 L72 A73 R78 K79 F223 F233 P235K71-Y75 WeakPolarHBondContact O-CB 3.3Å; K71-Y75 PolarHBondContact O-N 3.3Å; L72-Y75 PolarHBondContact O-N 3.08Å; A73-Y75 PolarHBondContact O-N 2.89Å; Y75-R78 PolarHBondContact O-N 2.93Å; Y75-K79 HydrophobicContact CE1-CD 4.04Å; Y75-K79 VanDerWaalsContact CZ-CE 3.44Å; Y75-K79 PolarHBondContact O-N 3.37Å; Y75-K79 WeakPolarHBondContact OH-CE 3.17Å; Y75-K79 PolarHBondContact OH-NZ 3.14Å; Y75-F223 AromaticContact CD1-CE1 3.9Å; Y75-F223 HydrophobicContact CD1-CE1 3.9Å; Y75-F223 AromaticContact CD1-CZ 3.82Å; Y75-F223 HydrophobicContact CD1-CZ 3.82Å; Y75-F223 HydrophobicContact CD2-CE1 4.24Å; Y75-F223 AromaticContact CE1-CE1 3.66Å; Y75-F223 HydrophobicContact CE1-CE1 3.66Å; Y75-F223 AromaticContact CE1-CZ 3.51Å; Y75-F223 HydrophobicContact CE1-CZ 3.51Å; Y75-F223 HydrophobicContact CE2-CE1 4.03Å; Y75-F223 HydrophobicContact CG-CE1 4.18Å; Y75-F223 AromaticContact CZ-CE1 3.72Å; Y75-F223 AromaticContact CZ-CZ 3.97Å; Y75-F233 HydrophobicContact CG-CD1 4.45Å; Y75-P235 HydrophobicContact CE2-CG 4.02Å
76Y95.6Very high95.5Very high28 Ų2833.8 Ų33.811%0.1116%0.162CC..Hα-helixtrans-70-37.4177.9-82.2-60.6000112.5P47 L72 A73 Y74 R78 K79 G80 W81 I137P47-Y76 WeakPolarHBondContact CD-OH 3.24Å; P47-Y76 HydrophobicContact CG-CE1 3.75Å; P47-Y76 WeakPolarHBondContact CG-OH 3.48Å; L72-Y76 HydrophobicContact CD1-CD2 3.92Å; L72-Y76 HydrophobicContact CD1-CE2 3.54Å; L72-Y76 HydrophobicContact CD2-CE2 4.19Å; L72-Y76 HydrophobicContact CG-CD2 3.86Å; L72-Y76 HydrophobicContact CG-CE2 3.81Å; L72-Y76 WeakPolarHBondContact O-CD2 3.38Å; L72-Y76 PolarHBondContact O-N 2.73Å; A73-Y76 PolarHBondContact O-N 3.13Å; Y74-Y76 PolarHBondContact O-N 3.14Å; Y76-R78 VanDerWaalsContact C-N 3.31Å; Y76-R78 PolarHBondContact O-N 3.21Å; Y76-K79 CarbonylContact O-C 3.48Å; Y76-K79 WeakPolarHBondContact O-CA 3.42Å; Y76-K79 PolarHBondContact O-N 3.11Å; Y76-G80 PolarHBondContact O-N 3.06Å; Y76-W81 AromaticContact CD1-CD1 3.8Å; Y76-W81 HydrophobicContact CD1-CD2 4.32Å; Y76-W81 HydrophobicContact CD1-CG 4.07Å; Y76-W81 AromaticContact CD1-NE1 3.87Å; Y76-W81 WeakPolarHBondContact O-CB 3.28Å; Y76-W81 VanDerWaalsContact O-CD1 3.31Å; Y76-W81 PolarHBondContact O-N 3.3Å; Y76-I137 HydrophobicContact CD2-CG2 4.3Å; Y76-I137 HydrophobicContact CG-CG1 4.39Å
77Q94.2Very high95.6Very high64 Ų6433.5 Ų33.530%0.29916%0.161SC..Hα-helixtrans-57.6-44173.7-173.1-173.76100111.3A73 Y74 K79 G80 T83 A106 R107A73-Q77 WeakPolarHBondContact O-CB 3.25Å; A73-Q77 PolarHBondContact O-N 3.04Å; Y74-Q77 PolarHBondContact O-N 3.23Å; Q77-K79 PolarHBondContact O-N 3.48Å; Q77-G80 WeakPolarHBondContact O-CA 3.23Å; Q77-G80 PolarHBondContact O-N 3.46Å; Q77-T83 HydrophobicContact CB-CG2 4.42Å; Q77-A106 PolarHBondContact OE1-O 3.33Å; Q77-R107 PolarHBondContact NE2-O 2.81Å
78R89.9Confident95.6Very high152 Ų15231.1 Ų31.157%0.57415%0.146SC*.Hα-helixtrans-61.7-28174.5-75.1-176.262-169.4-0.9113.4Y74 Y75 Y76 G80Y74-R78 VanDerWaalsContact CE1-CD 3.45Å; Y74-R78 HydrophobicContact CE1-CG 4.13Å; Y74-R78 HydrophobicContact CE2-CG 4.35Å; Y74-R78 WeakPolarHBondContact O-CG 3.39Å; Y74-R78 PolarHBondContact O-N 3.35Å; Y75-R78 PolarHBondContact O-N 2.93Å; Y76-R78 VanDerWaalsContact C-N 3.31Å; Y76-R78 PolarHBondContact O-N 3.21Å; R78-G80 PolarHBondContact O-N 3.34Å
79K89.9Confident95.4Very high89 Ų8931.6 Ų31.639%0.38715%0.149SC..THydrogen-bonded Turntrans-85.78.4173.5-65.9-161.5170.5-136.20113.5Y75 Y76 Q77 E260Y75-K79 HydrophobicContact CE1-CD 4.04Å; Y75-K79 VanDerWaalsContact CZ-CE 3.44Å; Y75-K79 PolarHBondContact O-N 3.37Å; Y75-K79 WeakPolarHBondContact OH-CE 3.17Å; Y75-K79 PolarHBondContact OH-NZ 3.14Å; Y76-K79 CarbonylContact O-C 3.48Å; Y76-K79 WeakPolarHBondContact O-CA 3.42Å; Y76-K79 PolarHBondContact O-N 3.11Å; Q77-K79 PolarHBondContact O-N 3.48Å; K79-E260 IonicContact NZ-OE1 2.73Å; K79-E260 PolarHBondContact NZ-OE1 2.99Å
80G92.3Very high95Very high56 Ų5634.1 Ų34.158%0.57716%0.164SC*.THydrogen-bonded Turntrans7830175.700000114.1Y76 Q77 R78Y76-G80 PolarHBondContact O-N 3.06Å; Q77-G80 WeakPolarHBondContact O-CA 3.23Å; Q77-G80 PolarHBondContact O-N 3.46Å; R78-G80 PolarHBondContact O-N 3.34Å
81W96.5Very high94.5Very high32 Ų3239.8 Ų39.812%0.12119%0.189CC..  trans-95.4149.3171.9-65.275.2000111P47 K49 Y76 T83 E136 I137P47-W81 HydrophobicContact CB-CH2 3.9Å; P47-W81 HydrophobicContact CB-CZ3 4.07Å; P47-W81 HydrophobicContact CG-CH2 3.99Å; P47-W81 HydrophobicContact CG-CZ2 4.28Å; P47-W81 HydrophobicContact CG-CZ3 4.45Å; K49-W81 HydrophobicContact CB-CH2 4.08Å; K49-W81 HydrophobicContact CB-CZ3 4.29Å; K49-W81 HydrophobicContact CD-CZ2 4.31Å; K49-W81 HydrophobicContact CG-CD2 4.23Å; K49-W81 HydrophobicContact CG-CE3 4.14Å; K49-W81 HydrophobicContact CG-CH2 3.34Å; K49-W81 HydrophobicContact CG-CZ2 3.39Å; K49-W81 HydrophobicContact CG-CZ3 3.72Å; K49-W81 VanDerWaalsContact N-CH2 3.31Å; Y76-W81 AromaticContact CD1-CD1 3.8Å; Y76-W81 HydrophobicContact CD1-CD2 4.32Å; Y76-W81 HydrophobicContact CD1-CG 4.07Å; Y76-W81 AromaticContact CD1-NE1 3.87Å; Y76-W81 WeakPolarHBondContact O-CB 3.28Å; Y76-W81 VanDerWaalsContact O-CD1 3.31Å; Y76-W81 PolarHBondContact O-N 3.3Å; W81-T83 HydrophobicContact CB-CG2 4.17Å; W81-T83 PolarHBondContact O-N 2.93Å; W81-E136 HydrophobicContact CE3-CB 3.9Å; W81-E136 HydrophobicContact CZ3-CB 4.42Å; W81-I137 HydrophobicContact CB-CG1 4.12Å; W81-I137 HydrophobicContact CD2-CD1 4.34Å; W81-I137 HydrophobicContact CD2-CG1 4.22Å; W81-I137 HydrophobicContact CE3-CD1 3.68Å; W81-I137 HydrophobicContact CE3-CG1 3.76Å; W81-I137 HydrophobicContact CG-CG1 4.42Å; W81-I137 HydrophobicContact CZ3-CD1 3.88Å; W81-I137 HydrophobicContact CZ3-CG1 4.46Å
82K96Very high94Very high96 Ų9645.5 Ų45.542%0.41721%0.21SC..  trans-87102.1173.8-164.8-178.8177.3-173.40110.1E133 F135 E136 I137K82-E133 PolarHBondContact NZ-O 3.33Å; K82-F135 HydrophobicContact CB-CD1 4.48Å; K82-F135 HydrophobicContact CD-CD1 4.21Å; K82-F135 HydrophobicContact CD-CD2 4.39Å; K82-F135 HydrophobicContact CD-CE1 4.33Å; K82-F135 HydrophobicContact CD-CG 4.25Å; K82-F135 HydrophobicContact CD-CZ 4.48Å; K82-F135 HydrophobicContact CG-CD1 3.65Å; K82-F135 HydrophobicContact CG-CE1 3.77Å; K82-F135 HydrophobicContact CG-CG 4.14Å; K82-F135 HydrophobicContact CG-CZ 4.37Å; K82-E136 HydrophobicContact CB-CG 4.45Å; K82-E136 PolarHBondContact N-OE2 3.07Å; K82-E136 PolarHBondContact O-N 3.24Å; K82-I137 PolarHBondContact O-N 3.22Å; K82-I137 VanDerWaalsContact O-N 3.08Å
83T97.7Very high93.6Very high4 Ų450.2 Ų50.23%0.02525%0.249CC..EExtended strand (participates in β ladder)trans-108.9144.5-17265.60000113.1A73 Q77 W81 F135 I137A73-T83 WeakPolarHBondContact O-CG2 3.44Å; A73-T83 PolarHBondContact O-OG1 3.15Å; Q77-T83 HydrophobicContact CB-CG2 4.42Å; W81-T83 HydrophobicContact CB-CG2 4.17Å; W81-T83 PolarHBondContact O-N 2.93Å; T83-F135 WeakPolarHBondContact O-CE1 3.44Å; T83-I137 CarbonylContact C-O 3.56Å; T83-I137 WeakPolarHBondContact CA-O 3.41Å; T83-I137 HydrophobicContact CG2-CB 3.97Å; T83-I137 HydrophobicContact CG2-CG1 4.27Å; T83-I137 HydrophobicContact CG2-CG2 4.39Å
84C97.8Very high93.2Very high0 Ų052.1 Ų52.10%027%0.269CS..EExtended strand (participates in β ladder)trans-137.9163.4170.558.50000112.4P109 F130 F135 I137 I139C84-P109 WeakPolarHBondContact CA-O 3.38Å; C84-P109 HydrophobicContact CB-CB 4.42Å; C84-F130 HydrophobicContact CB-CD1 3.81Å; C84-F130 HydrophobicContact CB-CD2 3.82Å; C84-F130 HydrophobicContact CB-CE1 3.71Å; C84-F130 HydrophobicContact CB-CE2 3.69Å; C84-F130 HydrophobicContact CB-CG 3.87Å; C84-F130 HydrophobicContact CB-CZ 3.65Å; C84-F130 WeakPolarHBondContact SG-CD2 3.36Å; C84-F130 WeakPolarHBondContact SG-CG 3.28Å; C84-F135 HydrophobicContact CB-CD1 3.55Å; C84-F135 HydrophobicContact CB-CE1 3.72Å; C84-F135 HydrophobicContact CB-CG 4.17Å; C84-F135 HydrophobicContact CB-CZ 4.44Å; C84-I137 PolarHBondContact N-O 2.65Å; C84-I139 PolarHBondContact O-N 3.15Å; C84-I139 VanDerWaalsContact O-N 3.1Å
85L98.1Very high93Very high1 Ų149.3 Ų49.31%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-120138-179.8-65.4171000110.9C69 A73 L99 A103 I108 P109 F110 Y111 I139C69-L85 HydrophobicContact CB-CD2 3.96Å; A73-L85 HydrophobicContact CB-CD2 3.83Å; A73-L85 HydrophobicContact CB-CG 4.22Å; L85-L99 HydrophobicContact CB-CD2 4.25Å; L85-L99 HydrophobicContact CD1-CD1 4.15Å; L85-A103 HydrophobicContact CD1-CB 3.85Å; L85-I108 HydrophobicContact CD1-CB 4.42Å; L85-I108 HydrophobicContact CD1-CG2 4.03Å; L85-I108 HydrophobicContact CG-CG2 3.93Å; L85-P109 PolarHBondContact N-O 2.91Å; L85-F110 HydrophobicContact CB-CB 4.21Å; L85-F110 CarbonylContact O-C 3.52Å; L85-F110 WeakPolarHBondContact O-CA 3.36Å; L85-Y111 PolarHBondContact O-N 3.37Å; L85-I139 CarbonylContact C-O 3.58Å; L85-I139 HydrophobicContact CD2-CB 4.03Å; L85-I139 HydrophobicContact CD2-CD1 4.46Å; L85-I139 HydrophobicContact CD2-CG2 4.05Å
86I97.6Very high92.9Very high0 Ų048 Ų480%025%0.254CS..EExtended strand (participates in β ladder)trans-121.7126.4174-63.3169.5000108.1Y111 V127 F130 I138 I139 V140 D141I86-Y111 WeakPolarHBondContact CA-O 3.32Å; I86-Y111 HydrophobicContact CG2-CD1 4.33Å; I86-V127 HydrophobicContact CD1-CB 4.39Å; I86-V127 HydrophobicContact CD1-CG2 3.65Å; I86-F130 HydrophobicContact CD1-CD2 4.07Å; I86-F130 HydrophobicContact CG1-CD2 3.9Å; I86-F130 HydrophobicContact CG1-CE2 3.84Å; I86-I138 HydrophobicContact CD1-CG2 3.42Å; I86-I138 VanDerWaalsContact CD1-CG2 3.42Å; I86-I138 HydrophobicContact CG1-CG2 4.29Å; I86-I139 PolarHBondContact N-O 2.83Å; I86-V140 HydrophobicContact CB-CG2 4.2Å; I86-V140 HydrophobicContact CD1-CG2 4.05Å; I86-V140 HydrophobicContact CG2-CG1 4.38Å; I86-D141 PolarHBondContact O-N 2.94Å
87C96.5Very high92.8Very high4 Ų449.6 Ų49.63%0.02726%0.264CS..EExtended strand (participates in β ladder)trans-92.9107.5174.1-167.70000110.1F96 L99 Y111 I122C87-F96 HydrophobicContact CB-CD2 3.58Å; C87-F96 HydrophobicContact CB-CE2 4.19Å; C87-L99 HydrophobicContact CB-CD2 3.52Å; C87-Y111 PolarHBondContact N-O 3.09Å; C87-I122 VanDerWaalsContact O-CG2 3.22Å; C87-I122 WeakPolarHBondContact O-CG2 3.49Å
88A94.3Very high92.8Very high2 Ų250.1 Ų50.12%0.01727%0.266CS..EExtended strand (participates in β ladder)trans-10820.3171.200000111.7T90 P119 A123 V140 D141A88-T90 PolarHBondContact O-N 3.35Å; A88-P119 HydrophobicContact CB-CB 4.11Å; A88-P119 VanDerWaalsContact O-CB 3.31Å; A88-P119 WeakPolarHBondContact O-CB 3.3Å; A88-A123 HydrophobicContact CB-CB 4.23Å; A88-V140 HydrophobicContact CB-CG1 3.96Å; A88-D141 CarbonylContact C-O 3.6Å; A88-D141 WeakPolarHBondContact CA-O 3.5Å; A88-D141 PolarHBondContact N-O 3.47Å
89D92.1Very high93Very high15 Ų1542.9 Ų42.98%0.0824%0.239CC..  trans-90.793.3170.6-169.2-11.5000110.1F91 R92 A95 D141 S143D89-F91 PolarHBondContact OD1-N 3.2Å; D89-R92 PolarHBondContact OD1-N 2.86Å; D89-R92 WeakPolarHBondContact OD2-CB 3.45Å; D89-A95 HydrophobicContact CB-CB 3.94Å; D89-D141 PolarHBondContact N-O 3.19Å; D89-S143 WeakPolarHBondContact OD1-CB 3.45Å
90T88.7Confident93.3Very high53 Ų5342.3 Ų42.333%0.32524%0.237SC..  trans-92.6-4.8176.257.60000113A88 M117 P119 I122A88-T90 PolarHBondContact O-N 3.35Å; T90-M117 VanDerWaalsContact CB-O 3.32Å; T90-M117 WeakPolarHBondContact CB-O 3.3Å; T90-M117 WeakPolarHBondContact CG2-O 3.38Å; T90-M117 PolarHBondContact OG1-O 3.25Å; T90-P119 HydrophobicContact CG2-CB 4.38Å; T90-I122 HydrophobicContact CG2-CD1 3.41Å; T90-I122 VanDerWaalsContact CG2-CD1 3.41Å
91F86.3Confident93.4Very high121 Ų12145.5 Ų45.553%0.53124%0.237SC..SBendtrans-96.6-41.1-173.5-173.3-98.9000112.7D89D89-F91 PolarHBondContact OD1-N 3.2Å
92R86.9Confident93.3Very high128 Ų12845.5 Ų45.548%0.48324%0.239SC..SBendtrans-83.5120.7-176.8177.6-177.1176.9-165.7-0.9111.2D89 G94 A95D89-R92 PolarHBondContact OD1-N 2.86Å; D89-R92 WeakPolarHBondContact OD2-CB 3.45Å; R92-G94 PolarHBondContact O-N 2.93Å; R92-A95 HydrophobicContact CB-CB 3.95Å; R92-A95 HydrophobicContact CG-CB 4.13Å; R92-A95 VanDerWaalsContact O-CB 3.31Å; R92-A95 WeakPolarHBondContact O-CB 3.44Å; R92-A95 PolarHBondContact O-N 2.8Å; R92-A95 VanDerWaalsContact O-N 3.14Å
93A87.2Confident93.2Very high100 Ų10041 Ų4183%0.82622%0.219SC*.THydrogen-bonded Turntrans-55.8127.7173.400000112A95A93-A95 VanDerWaalsContact C-N 3.27Å; A93-A95 PolarHBondContact O-N 3.09Å
94G90.1Very high93.1Very high41 Ų4145 Ų4542%0.42324%0.244SC..THydrogen-bonded Turntrans73.47.2178.900000115.5R92 F96 D97 Q98R92-G94 PolarHBondContact O-N 2.93Å; G94-F96 VanDerWaalsContact C-N 3.33Å; G94-F96 PolarHBondContact O-N 3.49Å; G94-D97 PolarHBondContact O-N 3.33Å; G94-Q98 PolarHBondContact O-N 2.86Å
95A90.8Very high92.9Very high1 Ų153 Ų531%0.00828%0.279CS..Hα-helixtrans-60.3-43.9176.900000112D89 R92 A93 D97 Q98 L99D89-A95 HydrophobicContact CB-CB 3.94Å; R92-A95 HydrophobicContact CB-CB 3.95Å; R92-A95 HydrophobicContact CG-CB 4.13Å; R92-A95 VanDerWaalsContact O-CB 3.31Å; R92-A95 WeakPolarHBondContact O-CB 3.44Å; R92-A95 PolarHBondContact O-N 2.8Å; R92-A95 VanDerWaalsContact O-N 3.14Å; A93-A95 VanDerWaalsContact C-N 3.27Å; A93-A95 PolarHBondContact O-N 3.09Å; A95-D97 PolarHBondContact O-N 2.81Å; A95-Q98 WeakPolarHBondContact O-CB 3.47Å; A95-Q98 PolarHBondContact O-N 2.98Å; A95-L99 PolarHBondContact O-N 3.5Å
96F92.6Very high92.6Very high21 Ų2153.3 Ų53.39%0.09228%0.282CS..Hα-helixtrans-62.6-42.5177-176.9-130.3000112.4C87 G94 Q98 L99 K100 F110 G112 Y114C87-F96 HydrophobicContact CB-CD2 3.58Å; C87-F96 HydrophobicContact CB-CE2 4.19Å; G94-F96 VanDerWaalsContact C-N 3.33Å; G94-F96 PolarHBondContact O-N 3.49Å; F96-Q98 VanDerWaalsContact C-N 3.35Å; F96-Q98 PolarHBondContact O-N 3.24Å; F96-L99 PolarHBondContact O-N 3.24Å; F96-K100 WeakPolarHBondContact O-CB 3.28Å; F96-K100 PolarHBondContact O-N 3.09Å; F96-F110 AromaticContact CE2-CD2 3.92Å; F96-F110 HydrophobicContact CE2-CD2 3.92Å; F96-F110 HydrophobicContact CE2-CE2 4.11Å; F96-F110 HydrophobicContact CZ-CD2 4.15Å; F96-F110 AromaticContact CZ-CE2 3.9Å; F96-F110 HydrophobicContact CZ-CE2 3.9Å; F96-G112 VanDerWaalsContact CE2-CA 3.43Å; F96-Y114 AromaticContact CD1-CD1 3.87Å; F96-Y114 HydrophobicContact CD1-CD1 3.87Å; F96-Y114 HydrophobicContact CD1-CD2 4.07Å; F96-Y114 AromaticContact CD1-CE1 3.57Å; F96-Y114 HydrophobicContact CD1-CE1 3.57Å; F96-Y114 AromaticContact CD1-CE2 3.79Å; F96-Y114 HydrophobicContact CD1-CE2 3.79Å; F96-Y114 HydrophobicContact CD1-CG 4.13Å; F96-Y114 AromaticContact CD1-CZ 3.52Å; F96-Y114 HydrophobicContact CE1-CD1 4.4Å; F96-Y114 AromaticContact CE1-CD2 3.77Å; F96-Y114 HydrophobicContact CE1-CD2 3.77Å; F96-Y114 HydrophobicContact CE1-CE1 4.09Å; F96-Y114 AromaticContact CE1-CE2 3.39Å; F96-Y114 HydrophobicContact CE1-CE2 3.39Å; F96-Y114 HydrophobicContact CE1-CG 4.27Å; F96-Y114 AromaticContact CE1-CZ 3.57Å
97D93.9Very high92.5Very high62 Ų6263.6 Ų63.633%0.33232%0.321SS..Hα-helixtrans-65.2-38.6177.2-67.3-51.3000111.9G94 A95 K100 Q101 Y114G94-D97 PolarHBondContact O-N 3.33Å; A95-D97 PolarHBondContact O-N 2.81Å; D97-K100 PolarHBondContact O-N 3.28Å; D97-Q101 WeakPolarHBondContact O-CB 3.36Å; D97-Q101 VanDerWaalsContact O-CG 3.23Å; D97-Q101 WeakPolarHBondContact O-CG 3.42Å; D97-Q101 PolarHBondContact O-N 3.35Å; D97-Y114 WeakPolarHBondContact OD1-CE1 3.39Å; D97-Y114 PolarHBondContact OD1-OH 3.29Å
98Q93.4Very high92.5Very high74 Ų7463.7 Ų63.735%0.34632%0.321SS..Hα-helixtrans-62-47173.9-176.563.963.100111.7T66 G94 A95 F96 Q101 N102T66-Q98 HydrophobicContact CG2-CG 4.24Å; G94-Q98 PolarHBondContact O-N 2.86Å; A95-Q98 WeakPolarHBondContact O-CB 3.47Å; A95-Q98 PolarHBondContact O-N 2.98Å; F96-Q98 VanDerWaalsContact C-N 3.35Å; F96-Q98 PolarHBondContact O-N 3.24Å; Q98-Q101 PolarHBondContact O-N 3.38Å; Q98-N102 PolarHBondContact NE2-OD1 3.11Å; Q98-N102 VanDerWaalsContact NE2-OD1 3.11Å; Q98-N102 VanDerWaalsContact O-CG 3.25Å; Q98-N102 PolarHBondContact O-N 3.11Å; Q98-N102 PolarHBondContact O-ND2 2.95Å
99L94.6Very high92.6Very high0 Ų066.3 Ų66.30%034%0.338CS..Hα-helixtrans-62.9-45.2177.1-171.677.4000110.6T66 L85 C87 A95 F96 Q101 N102 A103T66-L99 HydrophobicContact CG2-CB 4Å; T66-L99 HydrophobicContact CG2-CD1 3.85Å; L85-L99 HydrophobicContact CB-CD2 4.25Å; L85-L99 HydrophobicContact CD1-CD1 4.15Å; C87-L99 HydrophobicContact CB-CD2 3.52Å; A95-L99 PolarHBondContact O-N 3.5Å; F96-L99 PolarHBondContact O-N 3.24Å; L99-Q101 PolarHBondContact O-N 3.4Å; L99-N102 PolarHBondContact O-N 2.98Å; L99-A103 WeakPolarHBondContact O-CB 3.41Å; L99-A103 PolarHBondContact O-N 2.84Å
100K95Very high92.8Very high77 Ų7768.7 Ų68.734%0.33535%0.347SS..Hα-helixtrans-58.2-44.7177.5171.4172.2176.8-171.50112.1F96 D97 T104 F110 Y114F96-K100 WeakPolarHBondContact O-CB 3.28Å; F96-K100 PolarHBondContact O-N 3.09Å; D97-K100 PolarHBondContact O-N 3.28Å; K100-T104 VanDerWaalsContact O-CB 3.31Å; K100-T104 WeakPolarHBondContact O-CB 3.46Å; K100-T104 PolarHBondContact O-N 3.34Å; K100-T104 PolarHBondContact O-OG1 2.96Å; K100-F110 HydrophobicContact CB-CD2 4.38Å; K100-F110 HydrophobicContact CB-CE2 3.96Å; K100-F110 HydrophobicContact CB-CZ 4.13Å; K100-F110 HydrophobicContact CD-CE2 3.96Å; K100-F110 HydrophobicContact CD-CZ 3.84Å; K100-F110 HydrophobicContact CG-CE1 4.1Å; K100-F110 HydrophobicContact CG-CE2 3.79Å; K100-F110 HydrophobicContact CG-CZ 3.51Å; K100-Y114 PolarHBondContact NZ-OH 2.84Å
101Q94.9Very high93.2Very high124 Ų12467.9 Ų67.958%0.57934%0.339SS*.Hα-helixtrans-62.9-46.2176.2-73.6174.129.500111.6D97 Q98 L99 T104 K105D97-Q101 WeakPolarHBondContact O-CB 3.36Å; D97-Q101 VanDerWaalsContact O-CG 3.23Å; D97-Q101 WeakPolarHBondContact O-CG 3.42Å; D97-Q101 PolarHBondContact O-N 3.35Å; Q98-Q101 PolarHBondContact O-N 3.38Å; L99-Q101 PolarHBondContact O-N 3.4Å; Q101-T104 PolarHBondContact O-N 2.94Å; Q101-K105 WeakPolarHBondContact O-CB 3.44Å; Q101-K105 PolarHBondContact O-N 3.49Å
102N94.5Very high93.5Very high32 Ų3263 Ų6317%0.17132%0.323CS..Hα-helixtrans-63.6-45.6178.1-69.2-12000111.7S70 Q98 L99 K105 A106S70-N102 VanDerWaalsContact OG-CB 3.26Å; S70-N102 WeakPolarHBondContact OG-CB 3.48Å; Q98-N102 PolarHBondContact NE2-OD1 3.11Å; Q98-N102 VanDerWaalsContact NE2-OD1 3.11Å; Q98-N102 VanDerWaalsContact O-CG 3.25Å; Q98-N102 PolarHBondContact O-N 3.11Å; Q98-N102 PolarHBondContact O-ND2 2.95Å; L99-N102 PolarHBondContact O-N 2.98Å; N102-K105 PolarHBondContact O-N 2.92Å; N102-A106 WeakPolarHBondContact O-CB 3.32Å; N102-A106 PolarHBondContact O-N 2.88Å
103A95.2Very high93.7Very high0 Ų058.8 Ų58.80%031%0.312CS..Hα-helixtrans-61.3-44.1177.500000111.6L85 L99 A106 R107 I108 F110L85-A103 HydrophobicContact CD1-CB 3.85Å; L99-A103 WeakPolarHBondContact O-CB 3.41Å; L99-A103 PolarHBondContact O-N 2.84Å; A103-A106 CarbonylContact O-C 3.55Å; A103-A106 PolarHBondContact O-N 3.31Å; A103-R107 WeakPolarHBondContact O-CA 3.27Å; A103-R107 PolarHBondContact O-N 3.47Å; A103-I108 PolarHBondContact O-N 2.96Å; A103-F110 HydrophobicContact CB-CB 3.93Å; A103-F110 HydrophobicContact CB-CD1 3.79Å; A103-F110 HydrophobicContact CB-CG 4.09Å
104T95.1Very high93.8Very high89 Ų8960.6 Ų60.655%0.54630%0.299SS..Hα-helixtrans-63.2-45.7176.4-57.20000111.4K100 Q101 A106 R107K100-T104 VanDerWaalsContact O-CB 3.31Å; K100-T104 WeakPolarHBondContact O-CB 3.46Å; K100-T104 PolarHBondContact O-N 3.34Å; K100-T104 PolarHBondContact O-OG1 2.96Å; Q101-T104 PolarHBondContact O-N 2.94Å; T104-A106 VanDerWaalsContact C-N 3.25Å; T104-A106 PolarHBondContact O-N 3.15Å; T104-R107 PolarHBondContact O-N 2.99Å; T104-R107 VanDerWaalsContact O-N 3.12Å
105K92.2Very high93.8Very high167 Ų16764.6 Ų64.673%0.72632%0.315SS*.Hα-helixtrans-60-37.2177-174.5176.3179.91780112.1Q101 N102Q101-K105 WeakPolarHBondContact O-CB 3.44Å; Q101-K105 PolarHBondContact O-N 3.49Å; N102-K105 PolarHBondContact O-N 2.92Å
106A93.2Very high93.9Very high8 Ų867.9 Ų67.97%0.06633%0.33CS..Hα-helixtrans-86.5-5.9178.700000114.1Y74 Q77 N102 A103 T104 I108 I230Y74-A106 HydrophobicContact CD2-CB 4.21Å; Q77-A106 PolarHBondContact OE1-O 3.33Å; N102-A106 WeakPolarHBondContact O-CB 3.32Å; N102-A106 PolarHBondContact O-N 2.88Å; A103-A106 CarbonylContact O-C 3.55Å; A103-A106 PolarHBondContact O-N 3.31Å; T104-A106 VanDerWaalsContact C-N 3.25Å; T104-A106 PolarHBondContact O-N 3.15Å; A106-I108 HydrophobicContact CB-CD1 3.55Å; A106-I108 HydrophobicContact CB-CG1 3.75Å; A106-I230 HydrophobicContact CB-CD1 3.4Å
107R94.6Very high93.7Very high217 Ų21774.3 Ų74.382%0.81936%0.363SS*.THydrogen-bonded Turntrans55.646.5-172.8-53.5179.5-178.3-175.4-0.8112.8Q77 A103 T104Q77-R107 PolarHBondContact NE2-O 2.81Å; A103-R107 WeakPolarHBondContact O-CA 3.27Å; A103-R107 PolarHBondContact O-N 3.47Å; T104-R107 PolarHBondContact O-N 2.99Å; T104-R107 VanDerWaalsContact O-N 3.12Å
108I96.5Very high93.6Very high6 Ų674.4 Ų74.43%0.03136%0.363CS..  trans-110.9127.8-179.9-58.5174.6000108.6A73 L85 A103 A106A73-I108 HydrophobicContact CB-CD1 3.56Å; A73-I108 HydrophobicContact CB-CG2 4.18Å; L85-I108 HydrophobicContact CD1-CB 4.42Å; L85-I108 HydrophobicContact CD1-CG2 4.03Å; L85-I108 HydrophobicContact CG-CG2 3.93Å; A103-I108 PolarHBondContact O-N 2.96Å; A106-I108 HydrophobicContact CB-CD1 3.55Å; A106-I108 HydrophobicContact CB-CG1 3.75Å
109P97Very high93.6Very high57 Ų5771.2 Ų71.237%0.3735%0.349SS..  trans-57.8138.8172.7-26.937.3000111.6C84 L85 F130 F135C84-P109 WeakPolarHBondContact CA-O 3.38Å; C84-P109 HydrophobicContact CB-CB 4.42Å; L85-P109 PolarHBondContact N-O 2.91Å; P109-F130 HydrophobicContact CB-CE1 4.14Å; P109-F130 HydrophobicContact CB-CZ 4.45Å; P109-F135 HydrophobicContact CB-CE1 4.13Å; P109-F135 HydrophobicContact CB-CZ 3.96Å; P109-F135 HydrophobicContact CG-CE1 3.86Å; P109-F135 HydrophobicContact CG-CZ 3.79Å
110F96.4Very high93.6Very high64 Ų6472.5 Ų72.528%0.28136%0.356SS..EExtended strand (participates in β ladder)trans-134.5155.2-179.568.6-85.4000111.6L85 F96 K100 A103L85-F110 HydrophobicContact CB-CB 4.21Å; L85-F110 CarbonylContact O-C 3.52Å; L85-F110 WeakPolarHBondContact O-CA 3.36Å; F96-F110 AromaticContact CE2-CD2 3.92Å; F96-F110 HydrophobicContact CE2-CD2 3.92Å; F96-F110 HydrophobicContact CE2-CE2 4.11Å; F96-F110 HydrophobicContact CZ-CD2 4.15Å; F96-F110 AromaticContact CZ-CE2 3.9Å; F96-F110 HydrophobicContact CZ-CE2 3.9Å; K100-F110 HydrophobicContact CB-CD2 4.38Å; K100-F110 HydrophobicContact CB-CE2 3.96Å; K100-F110 HydrophobicContact CB-CZ 4.13Å; K100-F110 HydrophobicContact CD-CE2 3.96Å; K100-F110 HydrophobicContact CD-CZ 3.84Å; K100-F110 HydrophobicContact CG-CE1 4.1Å; K100-F110 HydrophobicContact CG-CE2 3.79Å; K100-F110 HydrophobicContact CG-CZ 3.51Å; A103-F110 HydrophobicContact CB-CB 3.93Å; A103-F110 HydrophobicContact CB-CD1 3.79Å; A103-F110 HydrophobicContact CB-CG 4.09Å
111Y96.5Very high93.6Very high37 Ų3771.8 Ų71.815%0.14536%0.356CS..EExtended strand (participates in β ladder)trans-134145.8174.2177.3-86.6000110.1L85 I86 C87 I122 E125 K129L85-Y111 PolarHBondContact O-N 3.37Å; I86-Y111 WeakPolarHBondContact CA-O 3.32Å; I86-Y111 HydrophobicContact CG2-CD1 4.33Å; C87-Y111 PolarHBondContact N-O 3.09Å; Y111-I122 HydrophobicContact CD1-CG2 4.22Å; Y111-I122 HydrophobicContact CE1-CG2 3.77Å; Y111-I122 VanDerWaalsContact CE1-O 3.22Å; Y111-I122 WeakPolarHBondContact CE1-O 3.36Å; Y111-E125 HydrophobicContact CE1-CB 4.37Å; Y111-E125 WeakPolarHBondContact OH-CB 3.35Å; Y111-E125 PolarHBondContact OH-OE2 3.01Å; Y111-K129 HydrophobicContact CD2-CD 3.79Å; Y111-K129 HydrophobicContact CE2-CD 4.21Å
112G92.6Very high93.6Very high19 Ų1966 Ų6620%0.19633%0.329CS..  trans171.7172.1175.800000110.1F96F96-G112 VanDerWaalsContact CE2-CA 3.43Å
113S91.3Very high93.7Very high38 Ų3864.5 Ų64.527%0.26632%0.321SS..  trans-129.3143.2-176.1-176.60000110.9T115 E116S113-T115 PolarHBondContact OG-N 3.26Å; S113-T115 PolarHBondContact OG-OG1 2.89Å; S113-E116 WeakPolarHBondContact OG-CB 3.44Å; S113-E116 PolarHBondContact OG-N 3.43Å
114Y89.7Confident93.7Very high138 Ų13866.4 Ų66.454%0.54133%0.334SS..SBendtrans-85.6-18.9171.4-70.4-80.3000112.6F96 D97 K100F96-Y114 AromaticContact CD1-CD1 3.87Å; F96-Y114 HydrophobicContact CD1-CD1 3.87Å; F96-Y114 HydrophobicContact CD1-CD2 4.07Å; F96-Y114 AromaticContact CD1-CE1 3.57Å; F96-Y114 HydrophobicContact CD1-CE1 3.57Å; F96-Y114 AromaticContact CD1-CE2 3.79Å; F96-Y114 HydrophobicContact CD1-CE2 3.79Å; F96-Y114 HydrophobicContact CD1-CG 4.13Å; F96-Y114 AromaticContact CD1-CZ 3.52Å; F96-Y114 HydrophobicContact CE1-CD1 4.4Å; F96-Y114 AromaticContact CE1-CD2 3.77Å; F96-Y114 HydrophobicContact CE1-CD2 3.77Å; F96-Y114 HydrophobicContact CE1-CE1 4.09Å; F96-Y114 AromaticContact CE1-CE2 3.39Å; F96-Y114 HydrophobicContact CE1-CE2 3.39Å; F96-Y114 HydrophobicContact CE1-CG 4.27Å; F96-Y114 AromaticContact CE1-CZ 3.57Å; D97-Y114 WeakPolarHBondContact OD1-CE1 3.39Å; D97-Y114 PolarHBondContact OD1-OH 3.29Å; K100-Y114 PolarHBondContact NZ-OH 2.84Å
115T90.4Very high93.8Very high125 Ų12566.9 Ų66.977%0.76733%0.33SS*.SBendtrans-114-27.1-169.653.80000113.3S113S113-T115 PolarHBondContact OG-N 3.26Å; S113-T115 PolarHBondContact OG-OG1 2.89Å
116E92Very high94Very high70 Ų7058.9 Ų58.933%0.32730%0.295SS..  trans-74.9130.8177.4-17551.6-101.800109.5S113 D118 I121 I122S113-E116 WeakPolarHBondContact OG-CB 3.44Å; S113-E116 PolarHBondContact OG-N 3.43Å; E116-D118 PolarHBondContact OE1-N 2.87Å; E116-I121 HydrophobicContact CG-CB 4.26Å; E116-I121 HydrophobicContact CG-CG2 4.28Å; E116-I122 HydrophobicContact CB-CD1 3.82Å; E116-I122 HydrophobicContact CB-CG1 3.7Å; E116-I122 HydrophobicContact CG-CD1 3.88Å; E116-I122 HydrophobicContact CG-CG1 3.42Å; E116-I122 VanDerWaalsContact CG-CG1 3.42Å
117M89.3Confident94.2Very high157 Ų15758.8 Ų58.877%0.77329%0.294SS*.  trans-102.4-22.1-177.6-64.9-170.1-62.500111.9T90 P119T90-M117 VanDerWaalsContact CB-O 3.32Å; T90-M117 WeakPolarHBondContact CB-O 3.3Å; T90-M117 WeakPolarHBondContact CG2-O 3.38Å; T90-M117 PolarHBondContact OG1-O 3.25Å; M117-P119 WeakPolarHBondContact O-CD 3.4Å
118D91.4Very high94.3Very high63 Ų6354.3 Ų54.334%0.33728%0.282SS..  trans-85111.6178.9-172.3-12.1000111E116 V120 I121 I122E116-D118 PolarHBondContact OE1-N 2.87Å; D118-V120 PolarHBondContact O-N 3.44Å; D118-V120 VanDerWaalsContact OD1-CB 3.25Å; D118-V120 WeakPolarHBondContact OD1-CB 3.36Å; D118-V120 WeakPolarHBondContact OD1-CG2 3.31Å; D118-V120 PolarHBondContact OD1-N 2.95Å; D118-I121 HydrophobicContact CB-CB 4.35Å; D118-I121 HydrophobicContact CB-CD1 3.88Å; D118-I121 HydrophobicContact CB-CG1 3.98Å; D118-I121 PolarHBondContact O-N 3.32Å; D118-I122 WeakPolarHBondContact O-CG1 3.49Å; D118-I122 PolarHBondContact O-N 3.13Å
119P92.8Very high94.3Very high7 Ų758.6 Ų58.65%0.04530%0.301CS..Hα-helixtrans-66.1-22.2178.630.8-37.5000113.2A88 T90 M117 A123 E155 V159A88-P119 HydrophobicContact CB-CB 4.11Å; A88-P119 VanDerWaalsContact O-CB 3.31Å; A88-P119 WeakPolarHBondContact O-CB 3.3Å; T90-P119 HydrophobicContact CG2-CB 4.38Å; M117-P119 WeakPolarHBondContact O-CD 3.4Å; P119-A123 WeakPolarHBondContact O-CB 3.32Å; P119-A123 PolarHBondContact O-N 3.47Å; P119-E155 HydrophobicContact CG-CG 3.83Å; P119-E155 WeakPolarHBondContact CG-OE1 3.41Å; P119-V159 HydrophobicContact CB-CG2 4.24Å; P119-V159 HydrophobicContact CG-CG2 4.22Å
120V94.5Very high94.2Very high27 Ų2756.1 Ų56.116%0.16428%0.284CS..Hα-helixtrans-66.8-43.4178.3-176.40000110.2D118 S124 Q158 V159 A162D118-V120 PolarHBondContact O-N 3.44Å; D118-V120 VanDerWaalsContact OD1-CB 3.25Å; D118-V120 WeakPolarHBondContact OD1-CB 3.36Å; D118-V120 WeakPolarHBondContact OD1-CG2 3.31Å; D118-V120 PolarHBondContact OD1-N 2.95Å; V120-S124 VanDerWaalsContact O-CB 3.28Å; V120-S124 WeakPolarHBondContact O-CB 3.16Å; V120-S124 PolarHBondContact O-N 3.11Å; V120-S124 PolarHBondContact O-OG 2.64Å; V120-Q158 HydrophobicContact CG2-CB 3.88Å; V120-V159 HydrophobicContact CG2-CG2 3.79Å; V120-A162 HydrophobicContact CG1-CB 3.63Å
121I95.1Very high94.1Very high62 Ų6256.4 Ų56.432%0.31829%0.285SS..Hα-helixtrans-64.2-51.6177.3-61.4178000109.6E116 D118 A123 S124 E125E116-I121 HydrophobicContact CG-CB 4.26Å; E116-I121 HydrophobicContact CG-CG2 4.28Å; D118-I121 HydrophobicContact CB-CB 4.35Å; D118-I121 HydrophobicContact CB-CD1 3.88Å; D118-I121 HydrophobicContact CB-CG1 3.98Å; D118-I121 PolarHBondContact O-N 3.32Å; I121-A123 VanDerWaalsContact C-N 3.33Å; I121-A123 PolarHBondContact O-N 3.33Å; I121-S124 PolarHBondContact O-N 3.15Å; I121-E125 HydrophobicContact CG2-CG 4.31Å; I121-E125 WeakPolarHBondContact CG2-OE1 3.34Å; I121-E125 WeakPolarHBondContact O-CB 3.3Å; I121-E125 WeakPolarHBondContact O-CG 3.2Å; I121-E125 PolarHBondContact O-N 3Å
122I95.2Very high94.1Very high3 Ų360.1 Ų60.12%0.01531%0.308CS..Hα-helixtrans-60-44-179.2-57.1172.6000111.3C87 T90 Y111 E116 D118 G126C87-I122 VanDerWaalsContact O-CG2 3.22Å; C87-I122 WeakPolarHBondContact O-CG2 3.49Å; T90-I122 HydrophobicContact CG2-CD1 3.41Å; T90-I122 VanDerWaalsContact CG2-CD1 3.41Å; Y111-I122 HydrophobicContact CD1-CG2 4.22Å; Y111-I122 HydrophobicContact CE1-CG2 3.77Å; Y111-I122 VanDerWaalsContact CE1-O 3.22Å; Y111-I122 WeakPolarHBondContact CE1-O 3.36Å; E116-I122 HydrophobicContact CB-CD1 3.82Å; E116-I122 HydrophobicContact CB-CG1 3.7Å; E116-I122 HydrophobicContact CG-CD1 3.88Å; E116-I122 HydrophobicContact CG-CG1 3.42Å; E116-I122 VanDerWaalsContact CG-CG1 3.42Å; D118-I122 WeakPolarHBondContact O-CG1 3.49Å; D118-I122 PolarHBondContact O-N 3.13Å; I122-G126 PolarHBondContact O-N 3.27Å
123A96.1Very high94.2Very high0 Ų063.3 Ų63.30%032%0.318CS..Hα-helixtrans-66-43.4179.900000111.5A88 P119 I121 V127 V140 V159 I163A88-A123 HydrophobicContact CB-CB 4.23Å; P119-A123 WeakPolarHBondContact O-CB 3.32Å; P119-A123 PolarHBondContact O-N 3.47Å; I121-A123 VanDerWaalsContact C-N 3.33Å; I121-A123 PolarHBondContact O-N 3.33Å; A123-V127 WeakPolarHBondContact O-CB 3.48Å; A123-V127 WeakPolarHBondContact O-CG2 3.46Å; A123-V127 PolarHBondContact O-N 3.35Å; A123-V140 HydrophobicContact CB-CG1 4.26Å; A123-V159 HydrophobicContact CB-CG1 3.95Å; A123-I163 HydrophobicContact CB-CG2 3.68Å
124S96.6Very high94.4Very high40 Ų4067.4 Ų67.428%0.2834%0.336SS..Hα-helixtrans-65.8-49.7-179.3-57.50000112V120 I121 G126 V127 E128V120-S124 VanDerWaalsContact O-CB 3.28Å; V120-S124 WeakPolarHBondContact O-CB 3.16Å; V120-S124 PolarHBondContact O-N 3.11Å; V120-S124 PolarHBondContact O-OG 2.64Å; I121-S124 PolarHBondContact O-N 3.15Å; S124-G126 PolarHBondContact O-N 2.91Å; S124-V127 PolarHBondContact O-N 2.89Å; S124-E128 WeakPolarHBondContact O-CB 3.47Å; S124-E128 PolarHBondContact O-N 3.36Å
125E96.7Very high94.7Very high99 Ų9961.2 Ų61.246%0.46331%0.312SS..Hα-helixtrans-62.8-41.7177.4-71.7-173.6-173.400111.9Y111 I121 E128 K129Y111-E125 HydrophobicContact CE1-CB 4.37Å; Y111-E125 WeakPolarHBondContact OH-CB 3.35Å; Y111-E125 PolarHBondContact OH-OE2 3.01Å; I121-E125 HydrophobicContact CG2-CG 4.31Å; I121-E125 WeakPolarHBondContact CG2-OE1 3.34Å; I121-E125 WeakPolarHBondContact O-CB 3.3Å; I121-E125 WeakPolarHBondContact O-CG 3.2Å; I121-E125 PolarHBondContact O-N 3Å; E125-E128 PolarHBondContact O-N 3.36Å; E125-K129 VanDerWaalsContact O-CB 3.28Å; E125-K129 WeakPolarHBondContact O-CB 3.31Å; E125-K129 PolarHBondContact O-N 3.44Å
126G96.2Very high95Very high0 Ų057 Ų570%028%0.284CS..Hα-helixtrans-62.5-43.7177.500000112.2I122 S124 F130I122-G126 PolarHBondContact O-N 3.27Å; S124-G126 PolarHBondContact O-N 2.91Å; G126-F130 WeakPolarHBondContact O-CD2 3.45Å; G126-F130 PolarHBondContact O-N 3.43Å; G126-F130 VanDerWaalsContact O-N 3.13Å
127V96.5Very high95.2Very high6 Ų653.6 Ų53.64%0.03627%0.268CS..Hα-helixtrans-64.7-48.8176.7169.30000109.8V54 I86 A123 S124 K129 F130 K131 I138 V140 I163V54-V127 HydrophobicContact CG1-CG2 4.22Å; V54-V127 HydrophobicContact CG2-CG1 4.2Å; I86-V127 HydrophobicContact CD1-CB 4.39Å; I86-V127 HydrophobicContact CD1-CG2 3.65Å; A123-V127 WeakPolarHBondContact O-CB 3.48Å; A123-V127 WeakPolarHBondContact O-CG2 3.46Å; A123-V127 PolarHBondContact O-N 3.35Å; S124-V127 PolarHBondContact O-N 2.89Å; V127-K129 PolarHBondContact O-N 2.97Å; V127-F130 PolarHBondContact O-N 3.49Å; V127-K131 HydrophobicContact CG1-CD 3.78Å; V127-K131 VanDerWaalsContact CG1-CE 3.43Å; V127-K131 HydrophobicContact CG1-CG 4.06Å; V127-K131 WeakPolarHBondContact O-CB 3.43Å; V127-K131 WeakPolarHBondContact O-CG 3.31Å; V127-K131 PolarHBondContact O-N 3.33Å; V127-I138 HydrophobicContact CG2-CG2 4.15Å; V127-V140 HydrophobicContact CG2-CG2 4.27Å; V127-I163 HydrophobicContact CG2-CB 4.16Å; V127-I163 HydrophobicContact CG2-CG2 4.08Å
128E96.8Very high95.7Very high123 Ų12346.1 Ų46.158%0.57523%0.231SC*.Hα-helixtrans-56.9-47.9178.4-173.6178.9-179.900112S124 E125 F130 K131 N132S124-E128 WeakPolarHBondContact O-CB 3.47Å; S124-E128 PolarHBondContact O-N 3.36Å; E125-E128 PolarHBondContact O-N 3.36Å; E128-F130 PolarHBondContact O-N 3.38Å; E128-K131 PolarHBondContact O-N 2.77Å; E128-N132 VanDerWaalsContact O-CG 3.24Å; E128-N132 PolarHBondContact O-N 2.98Å; E128-N132 PolarHBondContact O-ND2 3.23Å
129K96.6Very high96Very high95 Ų9543.1 Ų43.141%0.41322%0.215SC..Hα-helixtrans-55.3-51.1177.2-178.1-179-179.6178.90112.1Y111 E125 V127 N132 E133Y111-K129 HydrophobicContact CD2-CD 3.79Å; Y111-K129 HydrophobicContact CE2-CD 4.21Å; E125-K129 VanDerWaalsContact O-CB 3.28Å; E125-K129 WeakPolarHBondContact O-CB 3.31Å; E125-K129 PolarHBondContact O-N 3.44Å; V127-K129 PolarHBondContact O-N 2.97Å; K129-N132 WeakPolarHBondContact O-CB 3.39Å; K129-N132 PolarHBondContact O-N 3.4Å; K129-E133 WeakPolarHBondContact CE-OE1 3.49Å; K129-E133 PolarHBondContact O-N 3.48Å
130F96.4Very high96.2Very high5 Ų542.8 Ų42.82%0.02221%0.213CC..Hα-helixtrans-75.5-25.4-177.2-71.1-52.6000113.6C84 I86 P109 G126 V127 E128 E133 N134 F135 I138C84-F130 HydrophobicContact CB-CD1 3.81Å; C84-F130 HydrophobicContact CB-CD2 3.82Å; C84-F130 HydrophobicContact CB-CE1 3.71Å; C84-F130 HydrophobicContact CB-CE2 3.69Å; C84-F130 HydrophobicContact CB-CG 3.87Å; C84-F130 HydrophobicContact CB-CZ 3.65Å; C84-F130 WeakPolarHBondContact SG-CD2 3.36Å; C84-F130 WeakPolarHBondContact SG-CG 3.28Å; I86-F130 HydrophobicContact CD1-CD2 4.07Å; I86-F130 HydrophobicContact CG1-CD2 3.9Å; I86-F130 HydrophobicContact CG1-CE2 3.84Å; P109-F130 HydrophobicContact CB-CE1 4.14Å; P109-F130 HydrophobicContact CB-CZ 4.45Å; G126-F130 WeakPolarHBondContact O-CD2 3.45Å; G126-F130 PolarHBondContact O-N 3.43Å; G126-F130 VanDerWaalsContact O-N 3.13Å; V127-F130 PolarHBondContact O-N 3.49Å; E128-F130 PolarHBondContact O-N 3.38Å; F130-E133 PolarHBondContact O-N 3.16Å; F130-N134 PolarHBondContact O-N 3.19Å; F130-F135 HydrophobicContact CB-CB 4.17Å; F130-F135 HydrophobicContact CB-CD2 4.1Å; F130-F135 HydrophobicContact CB-CG 4.25Å; F130-F135 AromaticContact CD1-CD2 3.64Å; F130-F135 HydrophobicContact CD1-CD2 3.64Å; F130-F135 AromaticContact CD1-CE2 3.63Å; F130-F135 HydrophobicContact CD1-CE2 3.63Å; F130-F135 HydrophobicContact CD1-CG 4.13Å; F130-F135 HydrophobicContact CD1-CZ 4.11Å; F130-F135 HydrophobicContact CE1-CE2 4.15Å; F130-F135 HydrophobicContact CE1-CZ 4.24Å; F130-F135 HydrophobicContact CG-CD2 4.28Å; F130-F135 HydrophobicContact CG-CG 4.5Å; F130-F135 PolarHBondContact O-N 3.11Å; F130-I138 HydrophobicContact CB-CD1 3.95Å; F130-I138 HydrophobicContact CB-CG1 4.23Å
131K94.3Very high96.2Very high70 Ų7041.6 Ų41.630%0.30421%0.205SC..Hα-helixtrans-62.5-44.3168.5-76-173.4171.2170.50110.9Q52 V127 E128 E133 N134 I138Q52-K131 VanDerWaalsContact CD-CG 3.48Å; Q52-K131 HydrophobicContact CG-CG 4.37Å; Q52-K131 VanDerWaalsContact NE2-CA 3.35Å; Q52-K131 PolarHBondContact NE2-O 3.28Å; Q52-K131 VanDerWaalsContact OE1-CD 3.29Å; V127-K131 HydrophobicContact CG1-CD 3.78Å; V127-K131 VanDerWaalsContact CG1-CE 3.43Å; V127-K131 HydrophobicContact CG1-CG 4.06Å; V127-K131 WeakPolarHBondContact O-CB 3.43Å; V127-K131 WeakPolarHBondContact O-CG 3.31Å; V127-K131 PolarHBondContact O-N 3.33Å; E128-K131 PolarHBondContact O-N 2.77Å; K131-E133 VanDerWaalsContact C-N 3.29Å; K131-E133 PolarHBondContact O-N 2.83Å; K131-N134 PolarHBondContact O-N 3.22Å; K131-N134 VanDerWaalsContact O-N 3.08Å; K131-I138 HydrophobicContact CG-CD1 3.91Å
132N95.7Very high96.1Very high116 Ų11638.9 Ų38.962%0.6219%0.192SC*.Hα-helixtrans-64.3-32.2177.3-67.3-23.3000112.7E128 K129 N134E128-N132 VanDerWaalsContact O-CG 3.24Å; E128-N132 PolarHBondContact O-N 2.98Å; E128-N132 PolarHBondContact O-ND2 3.23Å; K129-N132 WeakPolarHBondContact O-CB 3.39Å; K129-N132 PolarHBondContact O-N 3.4Å; N132-N134 VanDerWaalsContact C-N 3.27Å; N132-N134 PolarHBondContact O-N 3.19Å
133E95.2Very high95.8Very high86 Ų8639 Ų3940%0.40219%0.193SC..THydrogen-bonded Turntrans-86.310.7175.2-65.8-179.4-150.100113.7K82 K129 F130 K131 F135K82-E133 PolarHBondContact NZ-O 3.33Å; K129-E133 WeakPolarHBondContact CE-OE1 3.49Å; K129-E133 PolarHBondContact O-N 3.48Å; F130-E133 PolarHBondContact O-N 3.16Å; K131-E133 VanDerWaalsContact C-N 3.29Å; K131-E133 PolarHBondContact O-N 2.83Å; E133-F135 VanDerWaalsContact C-N 3.34Å; E133-F135 HydrophobicContact CB-CD2 3.72Å; E133-F135 HydrophobicContact CB-CE2 3.69Å; E133-F135 PolarHBondContact O-N 3.02Å; E133-F135 WeakPolarHBondContact OE2-CE2 2.96Å
134N93.9Very high95.1Very high123 Ų12339.5 Ų39.566%0.65820%0.198SC*.THydrogen-bonded Turntrans54.141.8178.9-53.9101.7000114.1F130 K131 N132F130-N134 PolarHBondContact O-N 3.19Å; K131-N134 PolarHBondContact O-N 3.22Å; K131-N134 VanDerWaalsContact O-N 3.08Å; N132-N134 VanDerWaalsContact C-N 3.27Å; N132-N134 PolarHBondContact O-N 3.19Å
135F96.1Very high93.9Very high9 Ų939.2 Ų39.24%0.03919%0.191CC..  trans-70141.6169-80.3-102.9000111K82 T83 C84 P109 F130 E133 I138K82-F135 HydrophobicContact CB-CD1 4.48Å; K82-F135 HydrophobicContact CD-CD1 4.21Å; K82-F135 HydrophobicContact CD-CD2 4.39Å; K82-F135 HydrophobicContact CD-CE1 4.33Å; K82-F135 HydrophobicContact CD-CG 4.25Å; K82-F135 HydrophobicContact CD-CZ 4.48Å; K82-F135 HydrophobicContact CG-CD1 3.65Å; K82-F135 HydrophobicContact CG-CE1 3.77Å; K82-F135 HydrophobicContact CG-CG 4.14Å; K82-F135 HydrophobicContact CG-CZ 4.37Å; T83-F135 WeakPolarHBondContact O-CE1 3.44Å; C84-F135 HydrophobicContact CB-CD1 3.55Å; C84-F135 HydrophobicContact CB-CE1 3.72Å; C84-F135 HydrophobicContact CB-CG 4.17Å; C84-F135 HydrophobicContact CB-CZ 4.44Å; P109-F135 HydrophobicContact CB-CE1 4.13Å; P109-F135 HydrophobicContact CB-CZ 3.96Å; P109-F135 HydrophobicContact CG-CE1 3.86Å; P109-F135 HydrophobicContact CG-CZ 3.79Å; F130-F135 HydrophobicContact CB-CB 4.17Å; F130-F135 HydrophobicContact CB-CD2 4.1Å; F130-F135 HydrophobicContact CB-CG 4.25Å; F130-F135 AromaticContact CD1-CD2 3.64Å; F130-F135 HydrophobicContact CD1-CD2 3.64Å; F130-F135 AromaticContact CD1-CE2 3.63Å; F130-F135 HydrophobicContact CD1-CE2 3.63Å; F130-F135 HydrophobicContact CD1-CG 4.13Å; F130-F135 HydrophobicContact CD1-CZ 4.11Å; F130-F135 HydrophobicContact CE1-CE2 4.15Å; F130-F135 HydrophobicContact CE1-CZ 4.24Å; F130-F135 HydrophobicContact CG-CD2 4.28Å; F130-F135 HydrophobicContact CG-CG 4.5Å; F130-F135 PolarHBondContact O-N 3.11Å; E133-F135 VanDerWaalsContact C-N 3.34Å; E133-F135 HydrophobicContact CB-CD2 3.72Å; E133-F135 HydrophobicContact CB-CE2 3.69Å; E133-F135 PolarHBondContact O-N 3.02Å; E133-F135 WeakPolarHBondContact OE2-CE2 2.96Å; F135-I138 HydrophobicContact CB-CG1 4.19Å
136E96.6Very high92.6Very high35 Ų3538.9 Ų38.916%0.16419%0.189CC..SBendtrans-90.2-36.3-178.5-64.6-174.9132.900112G50 N53 W81 K82G50-E136 PolarHBondContact N-OE1 2.92Å; N53-E136 WeakPolarHBondContact CB-O 3.47Å; N53-E136 PolarHBondContact N-O 2.97Å; N53-E136 PolarHBondContact ND2-O 3.03Å; W81-E136 HydrophobicContact CE3-CB 3.9Å; W81-E136 HydrophobicContact CZ3-CB 4.42Å; K82-E136 HydrophobicContact CB-CG 4.45Å; K82-E136 PolarHBondContact N-OE2 3.07Å; K82-E136 PolarHBondContact O-N 3.24Å
137I97.9Very high90.9Very high0 Ų042.8 Ų42.80%021%0.206CC..EExtended strand (participates in β ladder)trans-122.5112.3-179-54.7-64000108.6P47 N53 I55 Y76 W81 K82 T83 C84 I139P47-I137 HydrophobicContact CB-CD1 3.59Å; P47-I137 HydrophobicContact CG-CD1 4Å; N53-I137 HydrophobicContact CB-CD1 4.08Å; I55-I137 HydrophobicContact CD1-CG2 4.18Å; Y76-I137 HydrophobicContact CD2-CG2 4.3Å; Y76-I137 HydrophobicContact CG-CG1 4.39Å; W81-I137 HydrophobicContact CB-CG1 4.12Å; W81-I137 HydrophobicContact CD2-CD1 4.34Å; W81-I137 HydrophobicContact CD2-CG1 4.22Å; W81-I137 HydrophobicContact CE3-CD1 3.68Å; W81-I137 HydrophobicContact CE3-CG1 3.76Å; W81-I137 HydrophobicContact CG-CG1 4.42Å; W81-I137 HydrophobicContact CZ3-CD1 3.88Å; W81-I137 HydrophobicContact CZ3-CG1 4.46Å; K82-I137 PolarHBondContact O-N 3.22Å; K82-I137 VanDerWaalsContact O-N 3.08Å; T83-I137 CarbonylContact C-O 3.56Å; T83-I137 WeakPolarHBondContact CA-O 3.41Å; T83-I137 HydrophobicContact CG2-CB 3.97Å; T83-I137 HydrophobicContact CG2-CG1 4.27Å; T83-I137 HydrophobicContact CG2-CG2 4.39Å; C84-I137 PolarHBondContact N-O 2.65Å; I137-I139 HydrophobicContact CG2-CD1 3.91Å; I137-I139 HydrophobicContact CG2-CG1 3.93Å
138I98.1Very high89.2Confident0 Ų050.4 Ų50.40%024%0.241CC..EExtended strand (participates in β ladder)trans-112.2112179.6-54.2178.1000107.8N53 V54 I55 I86 V127 F130 K131 F135N53-I138 PolarHBondContact O-N 2.89Å; V54-I138 CarbonylContact C-O 3.51Å; V54-I138 WeakPolarHBondContact CA-O 3.4Å; V54-I138 HydrophobicContact CG2-CB 4.34Å; V54-I138 HydrophobicContact CG2-CD1 4.32Å; I55-I138 PolarHBondContact N-O 3.28Å; I86-I138 HydrophobicContact CD1-CG2 3.42Å; I86-I138 VanDerWaalsContact CD1-CG2 3.42Å; I86-I138 HydrophobicContact CG1-CG2 4.29Å; V127-I138 HydrophobicContact CG2-CG2 4.15Å; F130-I138 HydrophobicContact CB-CD1 3.95Å; F130-I138 HydrophobicContact CB-CG1 4.23Å; K131-I138 HydrophobicContact CG-CD1 3.91Å; F135-I138 HydrophobicContact CB-CG1 4.19Å
139I98.2Very high87.9Confident0 Ų048 Ų480%023%0.23CC..EExtended strand (participates in β ladder)trans-106.6125.6-177.1-67.2157.3000109.9I55 F57 C69 L72 A73 C84 L85 I86 I137I55-I139 HydrophobicContact CB-CG1 4.41Å; I55-I139 WeakPolarHBondContact O-CA 3.29Å; F57-I139 HydrophobicContact CD2-CG2 3.78Å; F57-I139 HydrophobicContact CE2-CG2 3.73Å; C69-I139 HydrophobicContact CB-CG2 3.78Å; L72-I139 HydrophobicContact CB-CD1 4.17Å; L72-I139 HydrophobicContact CD2-CD1 3.97Å; L72-I139 HydrophobicContact CD2-CG1 4.35Å; L72-I139 HydrophobicContact CG-CD1 4.13Å; A73-I139 HydrophobicContact CB-CD1 3.72Å; C84-I139 PolarHBondContact O-N 3.15Å; C84-I139 VanDerWaalsContact O-N 3.1Å; L85-I139 CarbonylContact C-O 3.58Å; L85-I139 HydrophobicContact CD2-CB 4.03Å; L85-I139 HydrophobicContact CD2-CD1 4.46Å; L85-I139 HydrophobicContact CD2-CG2 4.05Å; I86-I139 PolarHBondContact N-O 2.83Å; I137-I139 HydrophobicContact CG2-CD1 3.91Å; I137-I139 HydrophobicContact CG2-CG1 3.93Å
140V97.3Very high87Confident0 Ų049 Ų490%024%0.24CC..EExtended strand (participates in β ladder)trans-106.5115.6179-174.60000109.9V54 I55 M56 F57 I86 A88 A123 V127 I163V54-V140 HydrophobicContact CG1-CG2 4.45Å; I55-V140 PolarHBondContact O-N 3.49Å; M56-V140 HydrophobicContact CG-CB 4.5Å; F57-V140 PolarHBondContact N-O 3.42Å; I86-V140 HydrophobicContact CB-CG2 4.2Å; I86-V140 HydrophobicContact CD1-CG2 4.05Å; I86-V140 HydrophobicContact CG2-CG1 4.38Å; A88-V140 HydrophobicContact CB-CG1 3.96Å; A123-V140 HydrophobicContact CB-CG1 4.26Å; V127-V140 HydrophobicContact CG2-CG2 4.27Å; V140-I163 HydrophobicContact CB-CD1 4.29Å; V140-I163 HydrophobicContact CG1-CD1 4.36Å; V140-I163 HydrophobicContact CG2-CD1 3.92Å
141D95.6Very high86.1Confident1 Ų152.2 Ų52.21%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-88.9112.7174.3-170.531.5000109.7K65 T66 C69 I86 A88 D89K65-D141 WeakPolarHBondContact CB-OD1 3.32Å; T66-D141 WeakPolarHBondContact CA-OD2 3.4Å; T66-D141 VanDerWaalsContact CB-OD2 3.23Å; T66-D141 WeakPolarHBondContact CB-OD2 3.42Å; T66-D141 WeakPolarHBondContact CG2-OD2 3.33Å; T66-D141 PolarHBondContact N-OD1 3.34Å; T66-D141 PolarHBondContact OG1-OD2 3.45Å; C69-D141 HydrophobicContact CB-CB 4.45Å; I86-D141 PolarHBondContact O-N 2.94Å; A88-D141 CarbonylContact C-O 3.6Å; A88-D141 WeakPolarHBondContact CA-O 3.5Å; A88-D141 PolarHBondContact N-O 3.47Å; D89-D141 PolarHBondContact N-O 3.19Å
142T93.1Very high85.2Confident6 Ų648.9 Ų48.94%0.03725%0.248CC..EExtended strand (participates in β ladder)trans-92.7163.417876.90000111.5M56 F57 K65M56-T142 HydrophobicContact CG-CG2 3.73Å; M56-T142 HydrophobicContact SD-CG2 4.05Å; F57-T142 WeakPolarHBondContact O-CG2 3.33Å; F57-T142 PolarHBondContact O-OG1 3.38Å; K65-T142 WeakPolarHBondContact CE-O 3.35Å
143S88.9Confident84.6Confident6 Ų643.7 Ų43.74%0.04222%0.22CC..  trans-60156.7168.970.10000111.9K65 D89K65-S143 WeakPolarHBondContact CE-O 3.49Å; D89-S143 WeakPolarHBondContact OD1-CB 3.45Å
144G81Confident84.2Confident9 Ų943.6 Ų43.69%0.09322%0.22CC..  trans-113.6124.4171.800000111.3G59 Q61G59-G144 WeakPolarHBondContact O-CA 3.32Å; Q61-G144 WeakPolarHBondContact CB-O 3.49Å
145R71.1Confident83.7Confident34 Ų3439.3 Ų39.313%0.12820%0.196CC..  trans-135173171.2-38.8-171.5-163.2-163.73111.5L60 E149 L152 E155L60-R145 WeakPolarHBondContact CD2-O 3.28Å; R145-E149 WeakPolarHBondContact CD-OE2 3.45Å; R145-E149 IonicContact CZ-OE2 3.89Å; R145-E149 IonicContact NE-OE2 3.83Å; R145-E149 IonicContact NH1-OE2 2.79Å; R145-E149 PolarHBondContact NH1-OE2 3.19Å; R145-L152 HydrophobicContact CB-CB 4.18Å; R145-L152 HydrophobicContact CB-CD1 4.3Å; R145-L152 HydrophobicContact CB-CD2 3.37Å; R145-L152 HydrophobicContact CB-CG 4.08Å; R145-L152 HydrophobicContact CG-CB 4.28Å; R145-L152 HydrophobicContact CG-CD1 3.7Å; R145-L152 HydrophobicContact CG-CD2 3.74Å; R145-L152 HydrophobicContact CG-CG 4.04Å; R145-E155 IonicContact CZ-OE2 3.84Å; R145-E155 IonicContact NE-OE2 2.93Å; R145-E155 IonicContact NH2-OE1 2.8Å; R145-E155 IonicContact NH2-OE2 3.54Å; R145-E155 PolarHBondContact NH2-OE2 3.04Å
146H69.2Low83.2Confident93 Ų9339.1 Ų39.143%0.43120%0.195SC..  trans-81.8151.3-176.4-158.8-100.9000111Q148 E149H146-Q148 PolarHBondContact O-N 2.89Å; H146-E149 PolarHBondContact O-N 3.32Å; H146-E149 VanDerWaalsContact O-N 3.09Å
147K60Low83Confident82 Ų8239.9 Ų39.936%0.35720%0.2SC..THydrogen-bonded Turntrans-55.3-19.9-179.5173178173.4175.20114E149 F153 A182 A186K147-E149 PolarHBondContact O-N 3.41Å; K147-F153 HydrophobicContact CB-CE2 4.47Å; K147-F153 HydrophobicContact CG-CE2 4.23Å; K147-F153 HydrophobicContact CG-CZ 4.38Å; K147-A182 PolarHBondContact NZ-O 2.81Å; K147-A186 HydrophobicContact CD-CB 3.53Å; K147-A186 HydrophobicContact CG-CB 3.95Å
148Q61.3Low82.7Confident166 Ų16645.2 Ų45.278%0.77623%0.225SC*.THydrogen-bonded Turntrans-76.5-8.4-177.8-71.3173.5-19.100113.4H146H146-Q148 PolarHBondContact O-N 2.89Å
149E69.2Low82.4Confident71 Ų7145.4 Ų45.433%0.33223%0.226SC..  trans-97.195.6175.8-72.6-178.1-143.400110.5R145 H146 K147 S151 L152R145-E149 WeakPolarHBondContact CD-OE2 3.45Å; R145-E149 IonicContact CZ-OE2 3.89Å; R145-E149 IonicContact NE-OE2 3.83Å; R145-E149 IonicContact NH1-OE2 2.79Å; R145-E149 PolarHBondContact NH1-OE2 3.19Å; H146-E149 PolarHBondContact O-N 3.32Å; H146-E149 VanDerWaalsContact O-N 3.09Å; K147-E149 PolarHBondContact O-N 3.41Å; E149-S151 PolarHBondContact O-N 2.84Å; E149-L152 HydrophobicContact CB-CB 4.3Å; E149-L152 PolarHBondContact O-N 2.81Å; E149-L152 VanDerWaalsContact O-N 3.11Å
150D77.8Confident82.2Confident118 Ų11845.9 Ų45.963%0.63123%0.23SC*.Hα-helixtrans-56.3-33172.6-72.6-28.3000111.7L152 F153 E154D150-L152 VanDerWaalsContact C-N 3.29Å; D150-L152 PolarHBondContact O-N 3.13Å; D150-F153 PolarHBondContact O-N 3.06Å; D150-F153 VanDerWaalsContact O-N 3.11Å; D150-E154 PolarHBondContact O-N 2.99Å; D150-E154 VanDerWaalsContact O-N 3.15Å
151S78.2Confident82.1Confident72 Ų7250.9 Ų50.950%0.50326%0.257SS..Hα-helixtrans-58-37176.4530000113.2E149 E154 E155E149-S151 PolarHBondContact O-N 2.84Å; S151-E154 PolarHBondContact O-N 3.46Å; S151-E155 WeakPolarHBondContact O-CB 3.18Å; S151-E155 PolarHBondContact O-N 2.94Å
152L75.3Confident82.1Confident0 Ų053.1 Ų53.10%028%0.275CS..Hα-helixtrans-65.4-42.5176.2179.165.3000111R145 E149 D150 E154 E155 M156R145-L152 HydrophobicContact CB-CB 4.18Å; R145-L152 HydrophobicContact CB-CD1 4.3Å; R145-L152 HydrophobicContact CB-CD2 3.37Å; R145-L152 HydrophobicContact CB-CG 4.08Å; R145-L152 HydrophobicContact CG-CB 4.28Å; R145-L152 HydrophobicContact CG-CD1 3.7Å; R145-L152 HydrophobicContact CG-CD2 3.74Å; R145-L152 HydrophobicContact CG-CG 4.04Å; E149-L152 HydrophobicContact CB-CB 4.3Å; E149-L152 PolarHBondContact O-N 2.81Å; E149-L152 VanDerWaalsContact O-N 3.11Å; D150-L152 VanDerWaalsContact C-N 3.29Å; D150-L152 PolarHBondContact O-N 3.13Å; L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 3.09Å; L152-E155 PolarHBondContact O-N 3.41Å; L152-M156 HydrophobicContact CD1-CG 4.1Å; L152-M156 HydrophobicContact CD1-SD 4.41Å; L152-M156 HydrophobicContact CD2-CE 4.07Å; L152-M156 HydrophobicContact CD2-SD 4.19Å; L152-M156 HydrophobicContact CG-CE 3.91Å; L152-M156 HydrophobicContact CG-CG 4.2Å; L152-M156 HydrophobicContact CG-SD 4.1Å; L152-M156 WeakPolarHBondContact O-CB 3.39Å; L152-M156 VanDerWaalsContact O-CG 3.32Å; L152-M156 WeakPolarHBondContact O-CG 3.4Å; L152-M156 PolarHBondContact O-N 3.5Å
153F82.6Confident82.2Confident6 Ų653 Ų533%0.02628%0.275CS..Hα-helixtrans-65.4-37.8-178.4-74.2-71.6000111.7K147 D150 M156 L157 A186 F187 K190K147-F153 HydrophobicContact CB-CE2 4.47Å; K147-F153 HydrophobicContact CG-CE2 4.23Å; K147-F153 HydrophobicContact CG-CZ 4.38Å; D150-F153 PolarHBondContact O-N 3.06Å; D150-F153 VanDerWaalsContact O-N 3.11Å; F153-M156 HydrophobicContact CB-CE 4.42Å; F153-M156 HydrophobicContact CD1-CE 3.31Å; F153-M156 HydrophobicContact CE1-CE 3.72Å; F153-M156 HydrophobicContact CG-CE 4Å; F153-L157 VanDerWaalsContact O-CB 3.27Å; F153-L157 WeakPolarHBondContact O-CB 3.33Å; F153-L157 PolarHBondContact O-N 2.87Å; F153-A186 HydrophobicContact CZ-CB 4.09Å; F153-F187 AromaticContact CE1-CD1 3.9Å; F153-F187 HydrophobicContact CE1-CD1 3.9Å; F153-F187 HydrophobicContact CE1-CD2 4.42Å; F153-F187 HydrophobicContact CE1-CE1 4.05Å; F153-F187 HydrophobicContact CE1-CG 4.09Å; F153-F187 HydrophobicContact CE1-CZ 4.35Å; F153-F187 HydrophobicContact CZ-CE2 4.47Å; F153-F187 HydrophobicContact CZ-CZ 4.49Å; F153-K190 HydrophobicContact CB-CB 4.45Å; F153-K190 HydrophobicContact CB-CD 4.05Å; F153-K190 HydrophobicContact CB-CG 3.97Å; F153-K190 HydrophobicContact CD1-CB 3.72Å; F153-K190 HydrophobicContact CD1-CG 3.64Å; F153-K190 HydrophobicContact CE1-CB 4.39Å; F153-K190 HydrophobicContact CE1-CG 4.33Å; F153-K190 HydrophobicContact CG-CB 4.39Å; F153-K190 HydrophobicContact CG-CD 4.49Å; F153-K190 HydrophobicContact CG-CG 3.9Å
154E86Confident82.5Confident84 Ų8460 Ų6039%0.39331%0.307SS..Hα-helixtrans-66.8-43.3173.5-61.7-53.2138.500111.6D150 S151 L152 L157 Q158 K190D150-E154 PolarHBondContact O-N 2.99Å; D150-E154 VanDerWaalsContact O-N 3.15Å; S151-E154 PolarHBondContact O-N 3.46Å; L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 3.09Å; E154-L157 PolarHBondContact O-N 3.3Å; E154-Q158 VanDerWaalsContact O-CG 3.3Å; E154-Q158 WeakPolarHBondContact O-CG 3.39Å; E154-Q158 PolarHBondContact O-N 3.19Å; E154-K190 IonicContact OE1-NZ 2.68Å; E154-K190 PolarHBondContact OE1-NZ 3.22Å
155E83.8Confident83.2Confident34 Ų3460.8 Ų60.816%0.15931%0.31CS..Hα-helixtrans-59.3-47.3174.8-179.1177.5-148.200111.7P119 R145 S151 L152 L157 Q158 V159P119-E155 HydrophobicContact CG-CG 3.83Å; P119-E155 WeakPolarHBondContact CG-OE1 3.41Å; R145-E155 IonicContact CZ-OE2 3.84Å; R145-E155 IonicContact NE-OE2 2.93Å; R145-E155 IonicContact NH2-OE1 2.8Å; R145-E155 IonicContact NH2-OE2 3.54Å; R145-E155 PolarHBondContact NH2-OE2 3.04Å; S151-E155 WeakPolarHBondContact O-CB 3.18Å; S151-E155 PolarHBondContact O-N 2.94Å; L152-E155 PolarHBondContact O-N 3.41Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 2.98Å; E155-Q158 WeakPolarHBondContact O-CB 3.3Å; E155-Q158 PolarHBondContact O-N 2.82Å; E155-V159 WeakPolarHBondContact O-CG2 3.46Å; E155-V159 PolarHBondContact O-N 3.06Å
156M86.9Confident84.4Confident4 Ų463 Ų632%0.0233%0.325CS..Hα-helixtrans-63.8-38176.4-72.1-174.5-5500112.5V58 L152 F153 V159 A160 F187V58-M156 HydrophobicContact CB-SD 4.33Å; V58-M156 HydrophobicContact CG1-SD 4.1Å; L152-M156 HydrophobicContact CD1-CG 4.1Å; L152-M156 HydrophobicContact CD1-SD 4.41Å; L152-M156 HydrophobicContact CD2-CE 4.07Å; L152-M156 HydrophobicContact CD2-SD 4.19Å; L152-M156 HydrophobicContact CG-CE 3.91Å; L152-M156 HydrophobicContact CG-CG 4.2Å; L152-M156 HydrophobicContact CG-SD 4.1Å; L152-M156 WeakPolarHBondContact O-CB 3.39Å; L152-M156 VanDerWaalsContact O-CG 3.32Å; L152-M156 WeakPolarHBondContact O-CG 3.4Å; L152-M156 PolarHBondContact O-N 3.5Å; F153-M156 HydrophobicContact CB-CE 4.42Å; F153-M156 HydrophobicContact CD1-CE 3.31Å; F153-M156 HydrophobicContact CE1-CE 3.72Å; F153-M156 HydrophobicContact CG-CE 4Å; M156-V159 PolarHBondContact O-N 3.02Å; M156-A160 VanDerWaalsContact O-CB 3.3Å; M156-A160 WeakPolarHBondContact O-CB 3.27Å; M156-A160 PolarHBondContact O-N 3.29Å; M156-F187 HydrophobicContact CE-CD1 4Å; M156-F187 HydrophobicContact CE-CE1 3.55Å; M156-F187 HydrophobicContact CE-CZ 4.47Å; M156-F187 HydrophobicContact SD-CD1 4.4Å; M156-F187 HydrophobicContact SD-CE1 3.75Å
157L90.9Very high85.7Confident51 Ų5158.8 Ų58.827%0.26731%0.305SS..Hα-helixtrans-65.7-41.1176.3-179.262.8000110.8F153 E154 E155 A160 N161F153-L157 VanDerWaalsContact O-CB 3.27Å; F153-L157 WeakPolarHBondContact O-CB 3.33Å; F153-L157 PolarHBondContact O-N 2.87Å; E154-L157 PolarHBondContact O-N 3.3Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 2.98Å; L157-A160 PolarHBondContact O-N 2.84Å; L157-N161 WeakPolarHBondContact O-CB 3.25Å; L157-N161 PolarHBondContact O-N 2.97Å; L157-N161 PolarHBondContact O-ND2 3.38Å
158Q91.8Very high87.4Confident112 Ų11255.5 Ų55.552%0.52329%0.291SS..Hα-helixtrans-61.5-46.8174.1-72174.54.700111.6V120 E154 E155 A160 N161 A162V120-Q158 HydrophobicContact CG2-CB 3.88Å; E154-Q158 VanDerWaalsContact O-CG 3.3Å; E154-Q158 WeakPolarHBondContact O-CG 3.39Å; E154-Q158 PolarHBondContact O-N 3.19Å; E155-Q158 WeakPolarHBondContact O-CB 3.3Å; E155-Q158 PolarHBondContact O-N 2.82Å; Q158-A160 PolarHBondContact O-N 2.85Å; Q158-N161 PolarHBondContact O-N 3.48Å; Q158-A162 WeakPolarHBondContact O-CB 3.41Å; Q158-A162 PolarHBondContact O-N 2.93Å
159V93Very high89.1Confident4 Ų447.6 Ų47.62%0.02425%0.254CS..Hα-helixtrans-59.6-47.6175.4174.60000110.7M56 P119 V120 A123 E155 M156 N161 A162 I163M56-V159 HydrophobicContact SD-CG1 3.97Å; P119-V159 HydrophobicContact CB-CG2 4.24Å; P119-V159 HydrophobicContact CG-CG2 4.22Å; V120-V159 HydrophobicContact CG2-CG2 3.79Å; A123-V159 HydrophobicContact CB-CG1 3.95Å; E155-V159 WeakPolarHBondContact O-CG2 3.46Å; E155-V159 PolarHBondContact O-N 3.06Å; M156-V159 PolarHBondContact O-N 3.02Å; V159-N161 PolarHBondContact O-N 3.27Å; V159-A162 PolarHBondContact O-N 2.85Å; V159-I163 HydrophobicContact CG1-CD1 4.08Å; V159-I163 WeakPolarHBondContact O-CG1 3.28Å; V159-I163 PolarHBondContact O-N 3.3Å
160A94.4Very high90.2Very high11 Ų1144.2 Ų44.29%0.09124%0.239CC..Hα-helixtrans-60.2-43.2179.200000112.3M56 M156 L157 Q158 A162 Q164 P165M56-A160 HydrophobicContact CE-CB 3.78Å; M56-A160 HydrophobicContact SD-CB 4.33Å; M156-A160 VanDerWaalsContact O-CB 3.3Å; M156-A160 WeakPolarHBondContact O-CB 3.27Å; M156-A160 PolarHBondContact O-N 3.29Å; L157-A160 PolarHBondContact O-N 2.84Å; Q158-A160 PolarHBondContact O-N 2.85Å; A160-A162 VanDerWaalsContact C-N 3.34Å; A160-Q164 VanDerWaalsContact O-CA 3.31Å; A160-Q164 WeakPolarHBondContact O-CA 3.41Å; A160-Q164 PolarHBondContact O-N 3.03Å; A160-P165 WeakPolarHBondContact O-CD 3.3Å
161N94.8Very high91Very high104 Ų10438.6 Ų38.656%0.55621%0.209SC*.Hα-helixtrans-66.9-35.6178.2-71-21.7000112.1L157 Q158 V159 Q164L157-N161 WeakPolarHBondContact O-CB 3.25Å; L157-N161 PolarHBondContact O-N 2.97Å; L157-N161 PolarHBondContact O-ND2 3.38Å; Q158-N161 PolarHBondContact O-N 3.48Å; V159-N161 PolarHBondContact O-N 3.27Å; N161-Q164 WeakPolarHBondContact O-CG 3.48Å
162A95.1Very high91.6Very high48 Ų4835.2 Ų35.240%0.39719%0.185SC..Hα-helixtrans-73.1-45.9-18000000112.6V120 Q158 V159 A160V120-A162 HydrophobicContact CG1-CB 3.63Å; Q158-A162 WeakPolarHBondContact O-CB 3.41Å; Q158-A162 PolarHBondContact O-N 2.93Å; V159-A162 PolarHBondContact O-N 2.85Å; A160-A162 VanDerWaalsContact C-N 3.34Å
163I95Very high92.3Very high5 Ų535.9 Ų35.93%0.02619%0.189CC..Hα-helixtrans-89-19.2-176.373.6-176.3000114.1V54 M56 A123 V127 V140 V159 P165V54-I163 HydrophobicContact CG1-CD1 4.33Å; V54-I163 HydrophobicContact CG1-CG1 4.48Å; M56-I163 HydrophobicContact CB-CD1 4.3Å; M56-I163 HydrophobicContact CG-CD1 4.33Å; M56-I163 HydrophobicContact SD-CD1 4.06Å; A123-I163 HydrophobicContact CB-CG2 3.68Å; V127-I163 HydrophobicContact CG2-CB 4.16Å; V127-I163 HydrophobicContact CG2-CG2 4.08Å; V140-I163 HydrophobicContact CB-CD1 4.29Å; V140-I163 HydrophobicContact CG1-CD1 4.36Å; V140-I163 HydrophobicContact CG2-CD1 3.92Å; V159-I163 HydrophobicContact CG1-CD1 4.08Å; V159-I163 WeakPolarHBondContact O-CG1 3.28Å; V159-I163 PolarHBondContact O-N 3.3Å; I163-P165 HydrophobicContact CD1-CB 4.42Å; I163-P165 HydrophobicContact CG1-CB 4.38Å; I163-P165 HydrophobicContact CG1-CG 4.34Å
164Q95Very high92.5Very high152 Ų15235.8 Ų35.871%0.7119%0.188SC*.  trans48.768.4-175.9-60.4-176.6-1400112.4A160 N161A160-Q164 VanDerWaalsContact O-CA 3.31Å; A160-Q164 WeakPolarHBondContact O-CA 3.41Å; A160-Q164 PolarHBondContact O-N 3.03Å; N161-Q164 WeakPolarHBondContact O-CG 3.48Å
165P96.4Very high92.4Very high25 Ų2535.4 Ų35.416%0.16220%0.195CC..  trans-67.9137.9-175.229.9-33.1000111.4V54 M56 A160 I163 N167 I168V54-P165 HydrophobicContact CG1-CB 4.31Å; V54-P165 CarbonylContact O-C 3.57Å; M56-P165 HydrophobicContact CB-CB 3.87Å; M56-P165 HydrophobicContact CB-CG 4.1Å; M56-P165 HydrophobicContact CE-CG 4.39Å; A160-P165 WeakPolarHBondContact O-CD 3.3Å; I163-P165 HydrophobicContact CD1-CB 4.42Å; I163-P165 HydrophobicContact CG1-CB 4.38Å; I163-P165 HydrophobicContact CG1-CG 4.34Å; P165-N167 VanDerWaalsContact C-N 3.25Å; P165-N167 PolarHBondContact O-N 2.87Å; P165-I168 HydrophobicContact CB-CG1 4.3Å; P165-I168 HydrophobicContact CG-CD1 3.94Å; P165-I168 HydrophobicContact CG-CG1 3.67Å
166D96.4Very high92.2Very high81 Ų8135.2 Ų35.243%0.43320%0.195SC..SBendtrans-69.7-25.2175.2-61.4-75.8000112.4W45 N53 V54W45-D166 HydrophobicContact CZ2-CB 3.65Å; W45-D166 PolarHBondContact NE1-O 3.46Å; N53-D166 WeakPolarHBondContact CA-OD2 3.39Å; V54-D166 PolarHBondContact N-OD2 3.43Å; V54-D166 PolarHBondContact O-N 3.03Å
167N96.1Very high91.7Very high5 Ų536.9 Ų36.93%0.02721%0.213CC..EExtended strand (participates in β ladder)trans-149135.2176.6-172.218.9000110.7W45 V54 I55 M56 P165 A194 S195W45-N167 HydrophobicContact CD2-CB 3.65Å; W45-N167 HydrophobicContact CE3-CB 3.67Å; W45-N167 VanDerWaalsContact CE3-ND2 3.27Å; W45-N167 HydrophobicContact CG-CB 4.07Å; W45-N167 HydrophobicContact CH2-CB 4.29Å; W45-N167 HydrophobicContact CZ2-CB 4.32Å; W45-N167 HydrophobicContact CZ3-CB 3.99Å; V54-N167 PolarHBondContact O-N 3.46Å; I55-N167 WeakPolarHBondContact CA-O 3.42Å; I55-N167 HydrophobicContact CG2-CB 4.48Å; M56-N167 PolarHBondContact N-O 2.97Å; P165-N167 VanDerWaalsContact C-N 3.25Å; P165-N167 PolarHBondContact O-N 2.87Å; N167-A194 WeakPolarHBondContact OD1-CB 3.45Å; N167-S195 PolarHBondContact ND2-OG 3.1Å; N167-S195 PolarHBondContact OD1-OG 3.24Å; N167-S195 VanDerWaalsContact OD1-OG 3.09Å
168I95.7Very high91.1Very high12 Ų1242.1 Ų42.16%0.06224%0.236CC..EExtended strand (participates in β ladder)trans-108.4120.9172-57.4178.9000108.5M56 V58 P165 V191 V193 A194 S195M56-I168 HydrophobicContact CB-CG1 4.46Å; M56-I168 HydrophobicContact CE-CD1 3.67Å; M56-I168 HydrophobicContact CE-CG1 3.93Å; M56-I168 HydrophobicContact CE-CG2 4.04Å; M56-I168 WeakPolarHBondContact O-CA 3.21Å; V58-I168 HydrophobicContact CG1-CG2 4.12Å; V58-I168 HydrophobicContact CG2-CG2 3.65Å; P165-I168 HydrophobicContact CB-CG1 4.3Å; P165-I168 HydrophobicContact CG-CD1 3.94Å; P165-I168 HydrophobicContact CG-CG1 3.67Å; I168-V191 HydrophobicContact CD1-CB 3.89Å; I168-V191 HydrophobicContact CD1-CG2 4.44Å; I168-V191 HydrophobicContact CG2-CG2 4.22Å; I168-V193 HydrophobicContact CG2-CG2 4.21Å; I168-A194 PolarHBondContact O-N 3.4Å; I168-A194 VanDerWaalsContact O-N 3.13Å; I168-S195 PolarHBondContact O-N 3.06Å
169V95.8Very high90.6Very high0 Ų039.4 Ų39.40%023%0.233CC..EExtended strand (participates in β ladder)trans-103.5117-177.8-178.10000109.4I55 M56 F57 V58 V171 S195 I197 I222I55-V169 HydrophobicContact CG2-CG2 3.51Å; M56-V169 PolarHBondContact O-N 3.16Å; F57-V169 HydrophobicContact CD2-CB 4.31Å; F57-V169 HydrophobicContact CE1-CG1 4.23Å; F57-V169 HydrophobicContact CE2-CB 4.27Å; F57-V169 HydrophobicContact CE2-CG2 4.21Å; F57-V169 HydrophobicContact CG-CB 4.47Å; F57-V169 HydrophobicContact CZ-CB 4.38Å; F57-V169 HydrophobicContact CZ-CG1 4.32Å; F57-V169 HydrophobicContact CZ-CG2 4.46Å; V58-V169 PolarHBondContact N-O 3.32Å; V169-V171 HydrophobicContact CG1-CG2 4.44Å; V169-S195 WeakPolarHBondContact CA-O 3.43Å; V169-I197 HydrophobicContact CG1-CB 4.23Å; V169-I197 HydrophobicContact CG1-CD1 3.58Å; V169-I197 HydrophobicContact CG1-CG1 3.6Å; V169-I222 HydrophobicContact CG2-CD1 4.29Å
170Y93.8Very high90.2Very high1 Ų139.2 Ų39.20%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-85.9118.3171.2176.8-116.5000110.5V58 M172 A184 F187 V193 S195 V196 I197V58-Y170 HydrophobicContact CG2-CD2 4.4Å; V58-Y170 WeakPolarHBondContact O-CA 3.18Å; Y170-M172 HydrophobicContact CD1-CB 4.38Å; Y170-M172 HydrophobicContact CE1-CB 3.82Å; Y170-A184 HydrophobicContact CD1-CB 4.44Å; Y170-A184 HydrophobicContact CE1-CB 3.8Å; Y170-F187 HydrophobicContact CD2-CB 4.28Å; Y170-F187 HydrophobicContact CD2-CD2 4.05Å; Y170-F187 HydrophobicContact CD2-CG 4.03Å; Y170-F187 HydrophobicContact CE2-CB 4.41Å; Y170-F187 AromaticContact CE2-CD2 3.45Å; Y170-F187 HydrophobicContact CE2-CD2 3.45Å; Y170-F187 VanDerWaalsContact CE2-CD2 3.45Å; Y170-F187 AromaticContact CE2-CE2 3.8Å; Y170-F187 HydrophobicContact CE2-CE2 3.8Å; Y170-F187 AromaticContact CE2-CG 3.92Å; Y170-F187 HydrophobicContact CE2-CG 3.92Å; Y170-V193 VanDerWaalsContact CB-CG1 3.47Å; Y170-S195 PolarHBondContact N-O 2.92Å; Y170-V196 HydrophobicContact CD1-CG1 4.38Å; Y170-V196 WeakPolarHBondContact O-CA 3.41Å; Y170-I197 PolarHBondContact O-N 3Å
171V93.7Very high89.8Confident0 Ų042.1 Ų42.10%024%0.244CC..EExtended strand (participates in β ladder)trans-97.6122.7177.7-174.20000109.8F57 V58 S63 K65 V169 I197 T199F57-V171 HydrophobicContact CD1-CG2 3.49Å; F57-V171 VanDerWaalsContact CD1-CG2 3.49Å; F57-V171 HydrophobicContact CE1-CG2 3.99Å; F57-V171 HydrophobicContact CG-CG2 4.46Å; V58-V171 PolarHBondContact O-N 3.35Å; S63-V171 VanDerWaalsContact CB-O 3.31Å; S63-V171 WeakPolarHBondContact CB-O 3.31Å; S63-V171 WeakPolarHBondContact O-CG1 3.38Å; S63-V171 PolarHBondContact OG-O 3.3Å; S63-V171 VanDerWaalsContact OG-O 3.13Å; K65-V171 HydrophobicContact CG-CB 3.95Å; K65-V171 HydrophobicContact CG-CG1 4.46Å; K65-V171 HydrophobicContact CG-CG2 4.1Å; V169-V171 HydrophobicContact CG1-CG2 4.44Å; V171-I197 WeakPolarHBondContact CA-O 3.3Å; V171-T199 HydrophobicContact CG1-CG2 3.58Å
172M90.4Very high89.4Confident0 Ų039.6 Ų39.60%024%0.238CC..EExtended strand (participates in β ladder)trans-125.2147.9179.566.9168.2-72.100112Y170 C180 V196 I197 V198 T199 A210 A213Y170-M172 HydrophobicContact CD1-CB 4.38Å; Y170-M172 HydrophobicContact CE1-CB 3.82Å; M172-C180 WeakPolarHBondContact CE-SG 3.29Å; M172-V196 HydrophobicContact CG-CG1 4.07Å; M172-V196 HydrophobicContact SD-CG1 4.05Å; M172-I197 PolarHBondContact N-O 2.95Å; M172-V198 HydrophobicContact CG-CB 4.45Å; M172-V198 HydrophobicContact CG-CG2 4.07Å; M172-V198 CarbonylContact O-C 3.43Å; M172-V198 WeakPolarHBondContact O-CA 3.49Å; M172-V198 HydrophobicContact SD-CG2 4.14Å; M172-T199 PolarHBondContact O-N 2.69Å; M172-T199 PolarHBondContact O-OG1 2.9Å; M172-A210 HydrophobicContact CE-CB 4.23Å; M172-A210 HydrophobicContact SD-CB 4.27Å; M172-A213 HydrophobicContact CE-CB 4.31Å; M172-A213 HydrophobicContact SD-CB 3.33Å; M172-A213 WeakPolarHBondContact SD-CB 3.32Å
173D89.8Confident89Confident15 Ų1538.4 Ų38.48%0.0822%0.224CC..EExtended strand (participates in β ladder)trans-87.2130.5174.8178.9-22.9000109.5S175 I176 K200D173-S175 PolarHBondContact O-N 3.23Å; D173-S175 VanDerWaalsContact O-N 3.15Å; D173-S175 VanDerWaalsContact OD1-CB 3.3Å; D173-S175 WeakPolarHBondContact OD1-CB 3.48Å; D173-S175 PolarHBondContact OD1-N 3.35Å; D173-S175 PolarHBondContact OD1-OG 3.36Å; D173-S175 PolarHBondContact OD2-OG 2.91Å; D173-I176 HydrophobicContact CB-CD1 3.89Å; D173-I176 HydrophobicContact CB-CG1 3.97Å; D173-I176 WeakPolarHBondContact O-CB 3.46Å; D173-I176 PolarHBondContact O-N 3.05Å; D173-I176 VanDerWaalsContact O-N 3.07Å; D173-K200 VanDerWaalsContact OD2-CD 3.27Å; D173-K200 WeakPolarHBondContact OD2-CD 2.96Å; D173-K200 VanDerWaalsContact OD2-CE 3.24Å; D173-K200 WeakPolarHBondContact OD2-CE 3.23Å; D173-K200 IonicContact OD2-NZ 2.99Å; D173-K200 PolarHBondContact OD2-NZ 3.03Å
174A86.9Confident88.6Confident3 Ų338.1 Ų38.13%0.02522%0.222CC..THydrogen-bonded Turntrans-58.6-24.1179.600000113.9I176 V198 T199 L201 A205A174-I176 VanDerWaalsContact C-N 3.3Å; A174-V198 HydrophobicContact CB-CG1 3.87Å; A174-T199 WeakPolarHBondContact CB-O 3.46Å; A174-T199 PolarHBondContact N-O 2.95Å; A174-L201 HydrophobicContact CB-CD2 3.7Å; A174-L201 HydrophobicContact CB-CG 3.95Å; A174-A205 HydrophobicContact CB-CB 4.3Å; A174-A205 WeakPolarHBondContact O-CB 3.46Å
175S84.1Confident88.4Confident76 Ų7636.4 Ų36.453%0.53121%0.212SC..THydrogen-bonded Turntrans-75-16.717867.70000113.9D173 G177D173-S175 PolarHBondContact O-N 3.23Å; D173-S175 VanDerWaalsContact O-N 3.15Å; D173-S175 VanDerWaalsContact OD1-CB 3.3Å; D173-S175 WeakPolarHBondContact OD1-CB 3.48Å; D173-S175 PolarHBondContact OD1-N 3.35Å; D173-S175 PolarHBondContact OD1-OG 3.36Å; D173-S175 PolarHBondContact OD2-OG 2.91Å; S175-G177 PolarHBondContact O-N 3.04Å
176I80.8Confident88Confident30 Ų3035.7 Ų35.715%0.15421%0.209CC..  trans-70109177-58.7172.2000107.8L60 D173 A174 A179 C180 G209L60-I176 HydrophobicContact CD1-CD1 4.11Å; D173-I176 HydrophobicContact CB-CD1 3.89Å; D173-I176 HydrophobicContact CB-CG1 3.97Å; D173-I176 WeakPolarHBondContact O-CB 3.46Å; D173-I176 PolarHBondContact O-N 3.05Å; D173-I176 VanDerWaalsContact O-N 3.07Å; A174-I176 VanDerWaalsContact C-N 3.3Å; I176-A179 HydrophobicContact CG2-CB 4.47Å; I176-C180 HydrophobicContact CB-CB 4.5Å; I176-C180 HydrophobicContact CG2-CB 3.76Å; I176-G209 VanDerWaalsContact O-CA 3.24Å; I176-G209 WeakPolarHBondContact O-CA 3.38Å
177G76Confident87.6Confident39 Ų3931.9 Ų31.940%0.40219%0.188SC..  trans-78-124.4179.200000112.9S175 A179 C180S175-G177 PolarHBondContact O-N 3.04Å; G177-A179 PolarHBondContact O-N 3.04Å; G177-C180 VanDerWaalsContact O-CB 3.25Å; G177-C180 WeakPolarHBondContact O-CB 3.24Å; G177-C180 PolarHBondContact O-N 3.04Å; G177-C180 VanDerWaalsContact O-N 3.14Å
178Q77.7Confident87.3Confident161 Ų16134.4 Ų34.475%0.75220%0.199SC*.THydrogen-bonded Turntrans-62.9-26.6-172.3-62-59.2-43.700114.2C180Q178-C180 PolarHBondContact O-N 3.08Å; Q178-C180 VanDerWaalsContact O-N 3.14Å
179A82.5Confident87Confident56 Ų5639.4 Ų39.446%0.46323%0.226SC..THydrogen-bonded Turntrans-64.9-15.9178.200000113.6I176 G177 E181 Q183I176-A179 HydrophobicContact CG2-CB 4.47Å; G177-A179 PolarHBondContact O-N 3.04Å; A179-E181 VanDerWaalsContact C-N 3.33Å; A179-E181 PolarHBondContact O-N 3.43Å; A179-Q183 WeakPolarHBondContact O-CG 3.44Å; A179-Q183 PolarHBondContact O-N 2.71Å
180C84.1Confident86.6Confident0 Ų043.2 Ų43.20%024%0.242CC..Hα-helixtrans-60.2-40.2-177.1-170.40000112.7M172 I176 G177 Q178 A182 Q183 A184 G209M172-C180 WeakPolarHBondContact CE-SG 3.29Å; I176-C180 HydrophobicContact CB-CB 4.5Å; I176-C180 HydrophobicContact CG2-CB 3.76Å; G177-C180 VanDerWaalsContact O-CB 3.25Å; G177-C180 WeakPolarHBondContact O-CB 3.24Å; G177-C180 PolarHBondContact O-N 3.04Å; G177-C180 VanDerWaalsContact O-N 3.14Å; Q178-C180 PolarHBondContact O-N 3.08Å; Q178-C180 VanDerWaalsContact O-N 3.14Å; C180-A182 PolarHBondContact O-N 2.89Å; C180-Q183 PolarHBondContact O-N 2.85Å; C180-A184 VanDerWaalsContact O-CB 3.29Å; C180-A184 WeakPolarHBondContact O-CB 3.27Å; C180-A184 PolarHBondContact O-N 3.42Å; C180-G209 PolarHBondContact SG-O 2.65Å; C180-G209 VanDerWaalsContact SG-O 3.35Å
181E86.1Confident86.4Confident71 Ų7143.6 Ų43.633%0.33225%0.245SC..Hα-helixtrans-59-51-177.1-171.6-177.6170.100111.7A179 Q183 K185 A216A179-E181 VanDerWaalsContact C-N 3.33Å; A179-E181 PolarHBondContact O-N 3.43Å; E181-Q183 VanDerWaalsContact C-N 3.27Å; E181-Q183 PolarHBondContact O-N 3.26Å; E181-K185 VanDerWaalsContact O-CB 3.29Å; E181-K185 WeakPolarHBondContact O-CB 3.14Å; E181-K185 PolarHBondContact O-N 2.89Å; E181-A216 HydrophobicContact CG-CB 4.03Å
182A86.6Confident86.3Confident52 Ų5249 Ų4943%0.4327%0.274SS..Hα-helixtrans-66.4-29.6-17800000112.9K147 C180 A186K147-A182 PolarHBondContact NZ-O 2.81Å; C180-A182 PolarHBondContact O-N 2.89Å; A182-A186 PolarHBondContact O-N 2.99Å
183Q85.8Confident86.4Confident22 Ų2249 Ų4910%0.10327%0.274CS..Hα-helixtrans-77.5-52.4178.1-67.7166.8-2.500110.7L60 A179 C180 E181 K185 A186 F187L60-Q183 HydrophobicContact CD1-CG 4.32Å; A179-Q183 WeakPolarHBondContact O-CG 3.44Å; A179-Q183 PolarHBondContact O-N 2.71Å; C180-Q183 PolarHBondContact O-N 2.85Å; E181-Q183 VanDerWaalsContact C-N 3.27Å; E181-Q183 PolarHBondContact O-N 3.26Å; Q183-K185 VanDerWaalsContact C-N 3.25Å; Q183-K185 PolarHBondContact O-N 2.78Å; Q183-A186 WeakPolarHBondContact O-CB 3.41Å; Q183-A186 PolarHBondContact O-N 3Å; Q183-F187 WeakPolarHBondContact O-CD2 3.48Å; Q183-F187 PolarHBondContact O-N 2.89Å; Q183-F187 VanDerWaalsContact O-N 3.08Å
184A87.6Confident86.5Confident0 Ų049.8 Ų49.80%028%0.282CS..Hα-helixtrans-58.1-40.2179.200000111.4Y170 C180 F187 K188 A213 A216 T217Y170-A184 HydrophobicContact CD1-CB 4.44Å; Y170-A184 HydrophobicContact CE1-CB 3.8Å; C180-A184 VanDerWaalsContact O-CB 3.29Å; C180-A184 WeakPolarHBondContact O-CB 3.27Å; C180-A184 PolarHBondContact O-N 3.42Å; A184-F187 PolarHBondContact O-N 3.41Å; A184-K188 WeakPolarHBondContact O-CB 3.35Å; A184-K188 PolarHBondContact O-N 3.11Å; A184-A213 HydrophobicContact CB-CB 4.2Å; A184-A216 HydrophobicContact CB-CB 4.3Å; A184-T217 HydrophobicContact CB-CG2 3.8Å
185K89.1Confident86.9Confident115 Ų11549.7 Ų49.750%0.528%0.281SS..Hα-helixtrans-60.9-44.8173.3-172.5174-179.3-179.60112.6E181 Q183 F187 K188 D189 A216E181-K185 VanDerWaalsContact O-CB 3.29Å; E181-K185 WeakPolarHBondContact O-CB 3.14Å; E181-K185 PolarHBondContact O-N 2.89Å; Q183-K185 VanDerWaalsContact C-N 3.25Å; Q183-K185 PolarHBondContact O-N 2.78Å; K185-F187 PolarHBondContact O-N 2.89Å; K185-K188 PolarHBondContact O-N 3.3Å; K185-D189 WeakPolarHBondContact O-CB 3.44Å; K185-D189 PolarHBondContact O-N 3.04Å; K185-A216 HydrophobicContact CB-CB 4.48Å
186A88.1Confident87.3Confident10 Ų1046 Ų468%0.08326%0.256CS..Hα-helixtrans-64.3-38.5-179.900000113.2K147 F153 A182 Q183 K190K147-A186 HydrophobicContact CD-CB 3.53Å; K147-A186 HydrophobicContact CG-CB 3.95Å; F153-A186 HydrophobicContact CZ-CB 4.09Å; A182-A186 PolarHBondContact O-N 2.99Å; Q183-A186 WeakPolarHBondContact O-CB 3.41Å; Q183-A186 PolarHBondContact O-N 3Å; A186-K190 PolarHBondContact O-N 2.97Å
187F88.6Confident87.9Confident1 Ų144.6 Ų44.60%0.00425%0.249CC..Hα-helixtrans-64.8-44.7172.4-81.2-82.8000111.3V58 L60 F153 M156 Y170 Q183 A184 K185 D189 K190 V191 V193V58-F187 HydrophobicContact CB-CD1 4.19Å; V58-F187 HydrophobicContact CB-CE1 4.2Å; V58-F187 HydrophobicContact CG2-CD1 4.13Å; L60-F187 HydrophobicContact CD2-CE2 4.07Å; L60-F187 HydrophobicContact CD2-CZ 4.47Å; F153-F187 AromaticContact CE1-CD1 3.9Å; F153-F187 HydrophobicContact CE1-CD1 3.9Å; F153-F187 HydrophobicContact CE1-CD2 4.42Å; F153-F187 HydrophobicContact CE1-CE1 4.05Å; F153-F187 HydrophobicContact CE1-CG 4.09Å; F153-F187 HydrophobicContact CE1-CZ 4.35Å; F153-F187 HydrophobicContact CZ-CE2 4.47Å; F153-F187 HydrophobicContact CZ-CZ 4.49Å; M156-F187 HydrophobicContact CE-CD1 4Å; M156-F187 HydrophobicContact CE-CE1 3.55Å; M156-F187 HydrophobicContact CE-CZ 4.47Å; M156-F187 HydrophobicContact SD-CD1 4.4Å; M156-F187 HydrophobicContact SD-CE1 3.75Å; Y170-F187 HydrophobicContact CD2-CB 4.28Å; Y170-F187 HydrophobicContact CD2-CD2 4.05Å; Y170-F187 HydrophobicContact CD2-CG 4.03Å; Y170-F187 HydrophobicContact CE2-CB 4.41Å; Y170-F187 AromaticContact CE2-CD2 3.45Å; Y170-F187 HydrophobicContact CE2-CD2 3.45Å; Y170-F187 VanDerWaalsContact CE2-CD2 3.45Å; Y170-F187 AromaticContact CE2-CE2 3.8Å; Y170-F187 HydrophobicContact CE2-CE2 3.8Å; Y170-F187 AromaticContact CE2-CG 3.92Å; Y170-F187 HydrophobicContact CE2-CG 3.92Å; Q183-F187 WeakPolarHBondContact O-CD2 3.48Å; Q183-F187 PolarHBondContact O-N 2.89Å; Q183-F187 VanDerWaalsContact O-N 3.08Å; A184-F187 PolarHBondContact O-N 3.41Å; K185-F187 PolarHBondContact O-N 2.89Å; F187-D189 VanDerWaalsContact C-N 3.32Å; F187-D189 PolarHBondContact O-N 3.33Å; F187-K190 PolarHBondContact O-N 2.91Å; F187-V191 VanDerWaalsContact O-CG2 3.3Å; F187-V191 WeakPolarHBondContact O-CG2 3.49Å; F187-V191 PolarHBondContact O-N 3.05Å; F187-V191 VanDerWaalsContact O-O 3.07Å; F187-V193 HydrophobicContact CB-CG2 4.31Å
188K89.5Confident88.7Confident59 Ų5942.9 Ų42.926%0.25723%0.23SC..Hα-helixtrans-64.1-34.3178.6-175.460174.8177.50113.2A184 K185 K190 V191 D192 V193 T217A184-K188 WeakPolarHBondContact O-CB 3.35Å; A184-K188 PolarHBondContact O-N 3.11Å; K185-K188 PolarHBondContact O-N 3.3Å; K188-K190 VanDerWaalsContact C-N 3.29Å; K188-K190 PolarHBondContact O-N 3.31Å; K188-V191 CarbonylContact C-O 3.5Å; K188-V191 WeakPolarHBondContact CA-O 3.45Å; K188-V191 VanDerWaalsContact O-O 3.12Å; K188-D192 IonicContact NZ-OD1 2.61Å; K188-D192 PolarHBondContact NZ-OD1 3.12Å; K188-V193 HydrophobicContact CD-CB 4.08Å; K188-V193 PolarHBondContact NZ-O 3.09Å; K188-T217 HydrophobicContact CB-CG2 4.39Å
189D89.7Confident89.4Confident116 Ų11635.6 Ų35.662%0.6220%0.197SC*.Hα-helixtrans-71.6-23.8178.5-68.5-17.1000112.3K185 F187K185-D189 WeakPolarHBondContact O-CB 3.44Å; K185-D189 PolarHBondContact O-N 3.04Å; F187-D189 VanDerWaalsContact C-N 3.32Å; F187-D189 PolarHBondContact O-N 3.33Å
190K88.4Confident89.6Confident81 Ų8137.2 Ų37.235%0.35219%0.193SC..Hα-helixtrans-101-36.3-177.6-74.1-73-167168.50113.8F153 E154 A186 F187 K188F153-K190 HydrophobicContact CB-CB 4.45Å; F153-K190 HydrophobicContact CB-CD 4.05Å; F153-K190 HydrophobicContact CB-CG 3.97Å; F153-K190 HydrophobicContact CD1-CB 3.72Å; F153-K190 HydrophobicContact CD1-CG 3.64Å; F153-K190 HydrophobicContact CE1-CB 4.39Å; F153-K190 HydrophobicContact CE1-CG 4.33Å; F153-K190 HydrophobicContact CG-CB 4.39Å; F153-K190 HydrophobicContact CG-CD 4.49Å; F153-K190 HydrophobicContact CG-CG 3.9Å; E154-K190 IonicContact OE1-NZ 2.68Å; E154-K190 PolarHBondContact OE1-NZ 3.22Å; A186-K190 PolarHBondContact O-N 2.97Å; F187-K190 PolarHBondContact O-N 2.91Å; K188-K190 VanDerWaalsContact C-N 3.29Å; K188-K190 PolarHBondContact O-N 3.31Å
191V89Confident89.6Confident8 Ų839 Ų395%0.04820%0.202CC..SBendtrans-135.4147.6178.9-64.90000110.5I168 F187 K188 V193I168-V191 HydrophobicContact CD1-CB 3.89Å; I168-V191 HydrophobicContact CD1-CG2 4.44Å; I168-V191 HydrophobicContact CG2-CG2 4.22Å; F187-V191 VanDerWaalsContact O-CG2 3.3Å; F187-V191 WeakPolarHBondContact O-CG2 3.49Å; F187-V191 PolarHBondContact O-N 3.05Å; F187-V191 VanDerWaalsContact O-O 3.07Å; K188-V191 CarbonylContact C-O 3.5Å; K188-V191 WeakPolarHBondContact CA-O 3.45Å; K188-V191 VanDerWaalsContact O-O 3.12Å; V191-V193 VanDerWaalsContact C-N 3.29Å; V191-V193 HydrophobicContact CG2-CG2 3.97Å; V191-V193 PolarHBondContact O-N 3.35Å
192D91.1Very high89.2Confident114 Ų11439.2 Ų39.261%0.6121%0.206SC*.  trans-76.477.5-176.5-169.722.6000112.6K188 A194K188-D192 IonicContact NZ-OD1 2.61Å; K188-D192 PolarHBondContact NZ-OD1 3.12Å; D192-A194 PolarHBondContact O-N 3.17Å; D192-A194 VanDerWaalsContact O-N 3.14Å
193V92.3Very high88.5Confident0 Ų038.8 Ų38.80%021%0.207CC..EExtended strand (participates in β ladder)trans-67110.9176.61790000109.7V58 I168 Y170 F187 K188 V191 S195 S219V58-V193 HydrophobicContact CG2-CG2 4.38Å; I168-V193 HydrophobicContact CG2-CG2 4.21Å; Y170-V193 VanDerWaalsContact CB-CG1 3.47Å; F187-V193 HydrophobicContact CB-CG2 4.31Å; K188-V193 HydrophobicContact CD-CB 4.08Å; K188-V193 PolarHBondContact NZ-O 3.09Å; V191-V193 VanDerWaalsContact C-N 3.29Å; V191-V193 HydrophobicContact CG2-CG2 3.97Å; V191-V193 PolarHBondContact O-N 3.35Å; V193-S195 WeakPolarHBondContact CG1-O 3.45Å; V193-S219 PolarHBondContact O-OG 2.79Å
194A92.8Very high87.6Confident32 Ų3247.3 Ų47.326%0.26425%0.246SC..EExtended strand (participates in β ladder)trans-101.5-15179.100000113.3N167 I168 D192N167-A194 WeakPolarHBondContact OD1-CB 3.45Å; I168-A194 PolarHBondContact O-N 3.4Å; I168-A194 VanDerWaalsContact O-N 3.13Å; D192-A194 PolarHBondContact O-N 3.17Å; D192-A194 VanDerWaalsContact O-N 3.14Å
195S94.2Very high86.6Confident0 Ų048.7 Ų48.70%026%0.257CS..EExtended strand (participates in β ladder)trans-140.4149.2-178.4-580000112.3N167 I168 V169 Y170 V193N167-S195 PolarHBondContact ND2-OG 3.1Å; N167-S195 PolarHBondContact OD1-OG 3.24Å; N167-S195 VanDerWaalsContact OD1-OG 3.09Å; I168-S195 PolarHBondContact O-N 3.06Å; V169-S195 WeakPolarHBondContact CA-O 3.43Å; Y170-S195 PolarHBondContact N-O 2.92Å; V193-S195 WeakPolarHBondContact CG1-O 3.45Å
196V93.3Very high85.5Confident0 Ų052.4 Ų52.40%027%0.274CS..EExtended strand (participates in β ladder)trans-120140.6174.8-178.60000110.4Y170 M172 V198 P220 I221 I222Y170-V196 HydrophobicContact CD1-CG1 4.38Å; Y170-V196 WeakPolarHBondContact O-CA 3.41Å; M172-V196 HydrophobicContact CG-CG1 4.07Å; M172-V196 HydrophobicContact SD-CG1 4.05Å; V196-V198 HydrophobicContact CG1-CG2 4.5Å; V196-P220 PolarHBondContact N-O 3.21Å; V196-I221 HydrophobicContact CB-CG1 4.19Å; V196-I221 HydrophobicContact CG1-CG1 4.28Å; V196-I221 CarbonylContact O-C 3.56Å; V196-I221 VanDerWaalsContact O-CA 3.28Å; V196-I221 WeakPolarHBondContact O-CA 3.22Å; V196-I222 WeakPolarHBondContact O-CG1 3.41Å; V196-I222 PolarHBondContact O-N 3.15Å
197I94.3Very high84.7Confident0 Ų052.3 Ų52.30%027%0.273CS..EExtended strand (participates in β ladder)trans-121.1132.4167.4-65.4178000109F57 T68 V169 Y170 V171 M172 T199 I222 F223 F233F57-I197 HydrophobicContact CE1-CD1 4Å; F57-I197 HydrophobicContact CZ-CD1 4.14Å; T68-I197 HydrophobicContact CG2-CB 4.41Å; T68-I197 HydrophobicContact CG2-CD1 3.77Å; T68-I197 HydrophobicContact CG2-CG2 3.73Å; V169-I197 HydrophobicContact CG1-CB 4.23Å; V169-I197 HydrophobicContact CG1-CD1 3.58Å; V169-I197 HydrophobicContact CG1-CG1 3.6Å; Y170-I197 PolarHBondContact O-N 3Å; V171-I197 WeakPolarHBondContact CA-O 3.3Å; M172-I197 PolarHBondContact N-O 2.95Å; I197-T199 HydrophobicContact CG2-CG2 4.29Å; I197-I222 HydrophobicContact CD1-CD1 4.21Å; I197-I222 HydrophobicContact CD1-CG1 4.36Å; I197-I222 HydrophobicContact CG1-CD1 4.1Å; I197-I222 HydrophobicContact CG1-CG1 3.76Å; I197-F223 HydrophobicContact CD1-CB 4.27Å; I197-F223 HydrophobicContact CD1-CD2 4.42Å; I197-F223 HydrophobicContact CG1-CB 4.13Å; I197-F223 HydrophobicContact CG2-CB 4.39Å; I197-F233 HydrophobicContact CD1-CE2 4.39Å; I197-F233 HydrophobicContact CD1-CZ 4.04Å; I197-F233 HydrophobicContact CG2-CE2 4.16Å
198V91.8Very high83.9Confident2 Ų254.3 Ų54.31%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-104.7124.4177.5-172.70000109.3M172 A174 V196 L201 A210 I221 F223 I224 G225M172-V198 HydrophobicContact CG-CB 4.45Å; M172-V198 HydrophobicContact CG-CG2 4.07Å; M172-V198 CarbonylContact O-C 3.43Å; M172-V198 WeakPolarHBondContact O-CA 3.49Å; M172-V198 HydrophobicContact SD-CG2 4.14Å; A174-V198 HydrophobicContact CB-CG1 3.87Å; V196-V198 HydrophobicContact CG1-CG2 4.5Å; V198-L201 HydrophobicContact CB-CD1 4.19Å; V198-L201 HydrophobicContact CG1-CD1 3.95Å; V198-L201 HydrophobicContact CG1-CD2 4.3Å; V198-L201 HydrophobicContact CG1-CG 4.01Å; V198-A210 HydrophobicContact CG1-CB 4.22Å; V198-A210 HydrophobicContact CG2-CB 3.55Å; V198-I221 HydrophobicContact CG2-CD1 3.96Å; V198-I221 HydrophobicContact CG2-CG1 4.25Å; V198-I221 HydrophobicContact CG2-CG2 4.02Å; V198-F223 PolarHBondContact N-O 3.19Å; V198-I224 HydrophobicContact CB-CG2 4.28Å; V198-I224 CarbonylContact O-C 3.55Å; V198-I224 VanDerWaalsContact O-CA 3.28Å; V198-I224 WeakPolarHBondContact O-CA 3.35Å; V198-G225 PolarHBondContact O-N 3.32Å
199T92.2Very high83.3Confident9 Ų951.6 Ų51.66%0.05528%0.283CS..EExtended strand (participates in β ladder)trans-109169.1-179.4670000111.3S63 T68 V171 M172 A174 I197 L201S63-T199 WeakPolarHBondContact O-CG2 3.4Å; S63-T199 PolarHBondContact O-OG1 2.88Å; T68-T199 WeakPolarHBondContact OG1-CG2 3.37Å; V171-T199 HydrophobicContact CG1-CG2 3.58Å; M172-T199 PolarHBondContact O-N 2.69Å; M172-T199 PolarHBondContact O-OG1 2.9Å; A174-T199 WeakPolarHBondContact CB-O 3.46Å; A174-T199 PolarHBondContact N-O 2.95Å; I197-T199 HydrophobicContact CG2-CG2 4.29Å; T199-L201 VanDerWaalsContact C-N 3.29Å; T199-L201 PolarHBondContact O-N 2.93Å
200K87.3Confident82.8Confident90 Ų9046.5 Ų46.539%0.39126%0.257SS..  trans58.435.3175.7-48.7-170.1-161.11630114.3G62 D173 D202 G203 G225G62-K200 WeakPolarHBondContact O-CE 3.35Å; G62-K200 PolarHBondContact O-NZ 3.24Å; D173-K200 VanDerWaalsContact OD2-CD 3.27Å; D173-K200 WeakPolarHBondContact OD2-CD 2.96Å; D173-K200 VanDerWaalsContact OD2-CE 3.24Å; D173-K200 WeakPolarHBondContact OD2-CE 3.23Å; D173-K200 IonicContact OD2-NZ 2.99Å; D173-K200 PolarHBondContact OD2-NZ 3.03Å; K200-D202 WeakPolarHBondContact CA-OD1 3.36Å; K200-D202 PolarHBondContact O-N 3.2Å; K200-G203 PolarHBondContact O-N 3.26Å; K200-G225 PolarHBondContact N-O 3.37Å
201L83.2Confident82.3Confident36 Ų3645.2 Ų45.219%0.18825%0.254CS..THydrogen-bonded Turntrans-73.4-2.5176.6-83.4165.9000113.9A174 V198 T199 I224 G225A174-L201 HydrophobicContact CB-CD2 3.7Å; A174-L201 HydrophobicContact CB-CG 3.95Å; V198-L201 HydrophobicContact CB-CD1 4.19Å; V198-L201 HydrophobicContact CG1-CD1 3.95Å; V198-L201 HydrophobicContact CG1-CD2 4.3Å; V198-L201 HydrophobicContact CG1-CG 4.01Å; T199-L201 VanDerWaalsContact C-N 3.29Å; T199-L201 PolarHBondContact O-N 2.93Å; L201-I224 HydrophobicContact CD1-CB 3.56Å; L201-I224 HydrophobicContact CD1-CD1 4.31Å; L201-I224 HydrophobicContact CD1-CG2 3.42Å; L201-I224 VanDerWaalsContact CD1-CG2 3.42Å; L201-G225 PolarHBondContact N-O 2.92Å; L201-G225 VanDerWaalsContact N-O 3.15Å
202D78.6Confident81.9Confident76 Ų7645.6 Ų45.641%0.40626%0.257SS..THydrogen-bonded Turntrans-86.4-7169.958.3-33.3000114.8K200 T226 G227 K313K200-D202 WeakPolarHBondContact CA-OD1 3.36Å; K200-D202 PolarHBondContact O-N 3.2Å; D202-T226 VanDerWaalsContact CB-O 3.29Å; D202-T226 WeakPolarHBondContact CB-O 3.46Å; D202-G227 WeakPolarHBondContact OD2-CA 3.35Å; D202-K313 VanDerWaalsContact CG-NZ 3.33Å; D202-K313 IonicContact OD2-NZ 3.72Å; D202-K313 PolarHBondContact OD2-NZ 3.41Å
203G71.2Confident81.5Confident43 Ų4340.2 Ų40.244%0.44323%0.228SC..SBendtrans-70.9-180168.500000112.4K200 A205K200-G203 PolarHBondContact O-N 3.26Å; G203-A205 PolarHBondContact O-N 3.16Å; G203-A205 VanDerWaalsContact O-N 3.09Å
204H67.9Low81.1Confident202 Ų20240.3 Ų40.394%0.93523%0.229SC*.SBendtrans-68.3-5.4174.6-61.8-62.7000113.9
205A66.3Low80.7Confident28 Ų2840.2 Ų40.223%0.23123%0.228CC..  trans-82.2120.8-175.400000111.3A174 G203 G207A174-A205 HydrophobicContact CB-CB 4.3Å; A174-A205 WeakPolarHBondContact O-CB 3.46Å; G203-A205 PolarHBondContact O-N 3.16Å; G203-A205 VanDerWaalsContact O-N 3.09Å; A205-G207 PolarHBondContact O-N 3.47Å
206K66.4Low80.2Confident194 Ų19441.5 Ų41.584%0.84324%0.238SC*.  trans-78.120.8-179.6-61.5-170.8175.8-174.20114.3G208K206-G208 VanDerWaalsContact C-N 3.29Å; K206-G208 PolarHBondContact O-N 2.89Å
207G71Confident79.8Confident7 Ų741.7 Ų41.77%0.07224%0.239CC..SBendtrans67.721.7-179.600000115A205 G209 A210A205-G207 PolarHBondContact O-N 3.47Å; G207-G209 PolarHBondContact O-N 3.21Å; G207-A210 VanDerWaalsContact O-CB 3.23Å; G207-A210 WeakPolarHBondContact O-CB 3.49Å; G207-A210 PolarHBondContact O-N 3.01Å
208G71.7Confident79.5Confident43 Ų4348 Ų4844%0.44327%0.267SS..Hα-helixtrans-57.2-33.6-179.500000113.5K206 A210 L211K206-G208 VanDerWaalsContact C-N 3.29Å; K206-G208 PolarHBondContact O-N 2.89Å; G208-A210 VanDerWaalsContact C-N 3.29Å; G208-A210 PolarHBondContact O-N 3.18Å; G208-L211 WeakPolarHBondContact O-CB 3.31Å; G208-L211 PolarHBondContact O-N 3.14Å
209G76.1Confident79.4Confident2 Ų248.1 Ų48.12%0.02127%0.268CS..Hα-helixtrans-64.4-31.3173.400000113.7I176 C180 G207 L211 S212 A213I176-G209 VanDerWaalsContact O-CA 3.24Å; I176-G209 WeakPolarHBondContact O-CA 3.38Å; C180-G209 PolarHBondContact SG-O 2.65Å; C180-G209 VanDerWaalsContact SG-O 3.35Å; G207-G209 PolarHBondContact O-N 3.21Å; G209-L211 VanDerWaalsContact C-N 3.27Å; G209-L211 PolarHBondContact O-N 2.9Å; G209-S212 CarbonylContact O-C 3.4Å; G209-S212 WeakPolarHBondContact O-CA 3.36Å; G209-S212 WeakPolarHBondContact O-CB 3.46Å; G209-S212 PolarHBondContact O-N 2.91Å; G209-S212 VanDerWaalsContact O-N 3.08Å; G209-A213 PolarHBondContact O-N 3.28Å
210A79.4Confident79.4Confident9 Ų948.3 Ų48.37%0.07427%0.269CS..Hα-helixtrans-64.2-36.4-178.900000111.6M172 V198 G207 G208 S212 A213 V214 I221M172-A210 HydrophobicContact CE-CB 4.23Å; M172-A210 HydrophobicContact SD-CB 4.27Å; V198-A210 HydrophobicContact CG1-CB 4.22Å; V198-A210 HydrophobicContact CG2-CB 3.55Å; G207-A210 VanDerWaalsContact O-CB 3.23Å; G207-A210 WeakPolarHBondContact O-CB 3.49Å; G207-A210 PolarHBondContact O-N 3.01Å; G208-A210 VanDerWaalsContact C-N 3.29Å; G208-A210 PolarHBondContact O-N 3.18Å; A210-S212 VanDerWaalsContact C-N 3.34Å; A210-A213 PolarHBondContact O-N 3.44Å; A210-V214 WeakPolarHBondContact O-CG2 3.48Å; A210-V214 PolarHBondContact O-N 2.88Å; A210-I221 HydrophobicContact CB-CD1 3.95Å
211L78.1Confident79.7Confident55 Ų5544.7 Ų44.729%0.28825%0.254SS..Hα-helixtrans-59.5-46.6171.7-63.6170.8000111L37 V38 G208 G209 A213 V214 A215L37-L211 HydrophobicContact CB-CD2 4.47Å; L37-L211 HydrophobicContact CD2-CD1 3.84Å; L37-L211 HydrophobicContact CD2-CD2 3.89Å; L37-L211 HydrophobicContact CD2-CG 4.33Å; L37-L211 HydrophobicContact CG-CD2 4.05Å; V38-L211 HydrophobicContact CB-CD2 4.16Å; V38-L211 HydrophobicContact CG2-CD2 3.2Å; G208-L211 WeakPolarHBondContact O-CB 3.31Å; G208-L211 PolarHBondContact O-N 3.14Å; G209-L211 VanDerWaalsContact C-N 3.27Å; G209-L211 PolarHBondContact O-N 2.9Å; L211-A213 VanDerWaalsContact C-N 3.33Å; L211-A213 PolarHBondContact O-N 3.46Å; L211-V214 PolarHBondContact O-N 3.47Å; L211-A215 VanDerWaalsContact O-CB 3.25Å; L211-A215 WeakPolarHBondContact O-CB 3.17Å; L211-A215 PolarHBondContact O-N 3.46Å
212S80.9Confident80.2Confident16 Ų1644.2 Ų44.211%0.11225%0.251CS..Hα-helixtrans-64.3-38177.6-590000112.1G209 A210 A215 A216G209-S212 CarbonylContact O-C 3.4Å; G209-S212 WeakPolarHBondContact O-CA 3.36Å; G209-S212 WeakPolarHBondContact O-CB 3.46Å; G209-S212 PolarHBondContact O-N 2.91Å; G209-S212 VanDerWaalsContact O-N 3.08Å; A210-S212 VanDerWaalsContact C-N 3.34Å; S212-A215 PolarHBondContact O-N 2.95Å; S212-A216 VanDerWaalsContact O-CB 3.29Å; S212-A216 WeakPolarHBondContact O-CB 3.15Å; S212-A216 PolarHBondContact O-N 2.89Å
213A82.3Confident80.9Confident0 Ų041.1 Ų41.10%023%0.234CC..Hα-helixtrans-64.6-50.4176.600000111.7M172 A184 G209 A210 L211 A215 A216 T217M172-A213 HydrophobicContact CE-CB 4.31Å; M172-A213 HydrophobicContact SD-CB 3.33Å; M172-A213 WeakPolarHBondContact SD-CB 3.32Å; A184-A213 HydrophobicContact CB-CB 4.2Å; G209-A213 PolarHBondContact O-N 3.28Å; A210-A213 PolarHBondContact O-N 3.44Å; L211-A213 VanDerWaalsContact C-N 3.33Å; L211-A213 PolarHBondContact O-N 3.46Å; A213-A215 VanDerWaalsContact C-N 3.29Å; A213-A215 PolarHBondContact O-N 2.66Å; A213-A216 PolarHBondContact O-N 3.35Å; A213-A216 VanDerWaalsContact O-N 3.15Å; A213-T217 WeakPolarHBondContact O-CG2 3.49Å; A213-T217 PolarHBondContact O-N 3.29Å; A213-T217 PolarHBondContact O-OG1 3.5Å
214V85.3Confident81.9Confident3 Ų339.7 Ų39.72%0.01822%0.216CC..Hα-helixtrans-61.8-41.1177.7176.10000110.9V38 P40 A210 L211 A216 K218 I221V38-V214 WeakPolarHBondContact O-CG1 3.45Å; P40-V214 HydrophobicContact CB-CG1 3.85Å; P40-V214 HydrophobicContact CG-CG1 3.94Å; A210-V214 WeakPolarHBondContact O-CG2 3.48Å; A210-V214 PolarHBondContact O-N 2.88Å; L211-V214 PolarHBondContact O-N 3.47Å; V214-A216 VanDerWaalsContact C-N 3.26Å; V214-A216 PolarHBondContact O-N 3.17Å; V214-K218 WeakPolarHBondContact O-CA 3.44Å; V214-K218 PolarHBondContact O-N 2.79Å; V214-I221 HydrophobicContact CG2-CD1 3.63Å; V214-I221 HydrophobicContact CG2-CG1 3.55Å
215A82.5Confident82.9Confident30 Ų3030.2 Ų30.225%0.24817%0.173CC..Hα-helixtrans-60.7-37.2177.400000112.2M1 L211 S212 A213 K218M1-A215 HydrophobicContact CE-CB 4.29Å; L211-A215 VanDerWaalsContact O-CB 3.25Å; L211-A215 WeakPolarHBondContact O-CB 3.17Å; L211-A215 PolarHBondContact O-N 3.46Å; S212-A215 PolarHBondContact O-N 2.95Å; A213-A215 VanDerWaalsContact C-N 3.29Å; A213-A215 PolarHBondContact O-N 2.66Å; A215-K218 VanDerWaalsContact O-CE 3.26Å; A215-K218 WeakPolarHBondContact O-CE 3.41Å; A215-K218 PolarHBondContact O-NZ 3.24Å
216A84.1Confident83.9Confident26 Ų2630.3 Ų30.322%0.21517%0.171CC..Hα-helixtrans-79.9-46-179.800000113.7E181 A184 K185 S212 A213 V214E181-A216 HydrophobicContact CG-CB 4.03Å; A184-A216 HydrophobicContact CB-CB 4.3Å; K185-A216 HydrophobicContact CB-CB 4.48Å; S212-A216 VanDerWaalsContact O-CB 3.29Å; S212-A216 WeakPolarHBondContact O-CB 3.15Å; S212-A216 PolarHBondContact O-N 2.89Å; A213-A216 PolarHBondContact O-N 3.35Å; A213-A216 VanDerWaalsContact O-N 3.15Å; V214-A216 VanDerWaalsContact C-N 3.26Å; V214-A216 PolarHBondContact O-N 3.17Å
217T85.4Confident84.8Confident4 Ų421.5 Ų21.53%0.02514%0.135CC..Hα-helixtrans-84.5-24.4-174.861.40000113.1A184 K188 A213 S219A184-T217 HydrophobicContact CB-CG2 3.8Å; K188-T217 HydrophobicContact CB-CG2 4.39Å; A213-T217 WeakPolarHBondContact O-CG2 3.49Å; A213-T217 PolarHBondContact O-N 3.29Å; A213-T217 PolarHBondContact O-OG1 3.5Å; T217-S219 PolarHBondContact O-N 3.35Å; T217-S219 PolarHBondContact O-OG 3.2Å; T217-S219 PolarHBondContact OG1-N 2.88Å; T217-S219 VanDerWaalsContact OG1-N 3.15Å
218K88Confident85.5Confident133 Ų13329.1 Ų29.158%0.57817%0.169SC*.  trans5723.9-166.9-54.1-57-173.3-163.10113.3P40 V214 A215P40-K218 WeakPolarHBondContact CB-O 3.29Å; V214-K218 WeakPolarHBondContact O-CA 3.44Å; V214-K218 PolarHBondContact O-N 2.79Å; A215-K218 VanDerWaalsContact O-CE 3.26Å; A215-K218 WeakPolarHBondContact O-CE 3.41Å; A215-K218 PolarHBondContact O-NZ 3.24Å
219S90.2Very high86.2Confident5 Ų531.8 Ų31.84%0.03517%0.169CC..  trans-108.9139.4-178.4-57.30000110.6V193 T217V193-S219 PolarHBondContact O-OG 2.79Å; T217-S219 PolarHBondContact O-N 3.35Å; T217-S219 PolarHBondContact O-OG 3.2Å; T217-S219 PolarHBondContact OG1-N 2.88Å; T217-S219 VanDerWaalsContact OG1-N 3.15Å
220P92.2Very high86.8Confident13 Ų1333.5 Ų33.58%0.08418%0.178CC..  trans-71.4148.7-177.627.8-34.3000112.1P40 A44 V196P40-P220 HydrophobicContact CG-CB 3.96Å; A44-P220 HydrophobicContact CB-CB 4.3Å; A44-P220 HydrophobicContact CB-CG 3.62Å; V196-P220 PolarHBondContact N-O 3.21Å
221I92.5Very high87Confident14 Ų1437 Ų377%0.07220%0.195CC..EExtended strand (participates in β ladder)trans-78.5124.5167.5-58.6164.5000107.7V196 V198 A210 V214 I224 F236V196-I221 HydrophobicContact CB-CG1 4.19Å; V196-I221 HydrophobicContact CG1-CG1 4.28Å; V196-I221 CarbonylContact O-C 3.56Å; V196-I221 VanDerWaalsContact O-CA 3.28Å; V196-I221 WeakPolarHBondContact O-CA 3.22Å; V198-I221 HydrophobicContact CG2-CD1 3.96Å; V198-I221 HydrophobicContact CG2-CG1 4.25Å; V198-I221 HydrophobicContact CG2-CG2 4.02Å; A210-I221 HydrophobicContact CB-CD1 3.95Å; V214-I221 HydrophobicContact CG2-CD1 3.63Å; V214-I221 HydrophobicContact CG2-CG1 3.55Å; I221-I224 HydrophobicContact CG2-CG2 4.35Å; I221-F236 HydrophobicContact CB-CB 4.39Å; I221-F236 HydrophobicContact CB-CD1 3.63Å; I221-F236 HydrophobicContact CB-CE1 3.99Å; I221-F236 HydrophobicContact CB-CG 3.98Å; I221-F236 HydrophobicContact CD1-CE1 4.22Å; I221-F236 HydrophobicContact CD1-CZ 4.2Å; I221-F236 HydrophobicContact CG2-CB 3.78Å; I221-F236 HydrophobicContact CG2-CD1 3.86Å; I221-F236 HydrophobicContact CG2-CD2 4.09Å; I221-F236 HydrophobicContact CG2-CE1 4.44Å; I221-F236 HydrophobicContact CG2-CG 3.63Å; I221-F236 WeakPolarHBondContact O-CD1 3.47Å
222I93.7Very high87.5Confident25 Ų2535.7 Ų35.713%0.12819%0.189CC..EExtended strand (participates in β ladder)trans-99.1-34.5-176.753164.7000112.9A44 V169 V196 I197 F236A44-I222 HydrophobicContact CB-CG2 3.68Å; V169-I222 HydrophobicContact CG2-CD1 4.29Å; V196-I222 WeakPolarHBondContact O-CG1 3.41Å; V196-I222 PolarHBondContact O-N 3.15Å; I197-I222 HydrophobicContact CD1-CD1 4.21Å; I197-I222 HydrophobicContact CD1-CG1 4.36Å; I197-I222 HydrophobicContact CG1-CD1 4.1Å; I197-I222 HydrophobicContact CG1-CG1 3.76Å; I222-F236 PolarHBondContact O-N 2.82Å
223F94.1Very high88Confident12 Ų1235.7 Ų35.75%0.05319%0.187CC..EExtended strand (participates in β ladder)trans-144.8158.9-179.7-68.4-89.5000111.4L72 Y75 I197 V198 F233 E234 P235L72-F223 HydrophobicContact CD1-CD2 3.96Å; L72-F223 HydrophobicContact CD1-CE2 3.61Å; L72-F223 HydrophobicContact CD1-CZ 4.04Å; Y75-F223 AromaticContact CD1-CE1 3.9Å; Y75-F223 HydrophobicContact CD1-CE1 3.9Å; Y75-F223 AromaticContact CD1-CZ 3.82Å; Y75-F223 HydrophobicContact CD1-CZ 3.82Å; Y75-F223 HydrophobicContact CD2-CE1 4.24Å; Y75-F223 AromaticContact CE1-CE1 3.66Å; Y75-F223 HydrophobicContact CE1-CE1 3.66Å; Y75-F223 AromaticContact CE1-CZ 3.51Å; Y75-F223 HydrophobicContact CE1-CZ 3.51Å; Y75-F223 HydrophobicContact CE2-CE1 4.03Å; Y75-F223 HydrophobicContact CG-CE1 4.18Å; Y75-F223 AromaticContact CZ-CE1 3.72Å; Y75-F223 AromaticContact CZ-CZ 3.97Å; I197-F223 HydrophobicContact CD1-CB 4.27Å; I197-F223 HydrophobicContact CD1-CD2 4.42Å; I197-F223 HydrophobicContact CG1-CB 4.13Å; I197-F223 HydrophobicContact CG2-CB 4.39Å; V198-F223 PolarHBondContact N-O 3.19Å; F223-F233 HydrophobicContact CB-CD2 4.34Å; F223-F233 HydrophobicContact CB-CE1 3.88Å; F223-F233 HydrophobicContact CB-CE2 3.52Å; F223-F233 HydrophobicContact CB-CZ 3.26Å; F223-F233 AromaticContact CD1-CD1 3.82Å; F223-F233 HydrophobicContact CD1-CD1 3.82Å; F223-F233 AromaticContact CD1-CE1 3.31Å; F223-F233 HydrophobicContact CD1-CE1 3.31Å; F223-F233 HydrophobicContact CD1-CE2 4.43Å; F223-F233 AromaticContact CD1-CZ 3.68Å; F223-F233 HydrophobicContact CD1-CZ 3.68Å; F223-F233 HydrophobicContact CD2-CE1 4.04Å; F223-F233 AromaticContact CD2-CZ 3.87Å; F223-F233 HydrophobicContact CD2-CZ 3.87Å; F223-F233 HydrophobicContact CE1-CD1 4.28Å; F223-F233 AromaticContact CE1-CE1 3.78Å; F223-F233 HydrophobicContact CE1-CE1 3.78Å; F223-F233 HydrophobicContact CE1-CZ 4.48Å; F223-F233 HydrophobicContact CE2-CE1 4.45Å; F223-F233 HydrophobicContact CG-CD1 4.35Å; F223-F233 AromaticContact CG-CE1 3.48Å; F223-F233 HydrophobicContact CG-CE1 3.48Å; F223-F233 VanDerWaalsContact CG-CE1 3.48Å; F223-F233 HydrophobicContact CG-CE2 4.09Å; F223-F233 AromaticContact CG-CZ 3.33Å; F223-F233 HydrophobicContact CG-CZ 3.33Å; F223-F233 HydrophobicContact CZ-CE1 4.34Å; F223-E234 CarbonylContact C-O 3.49Å; F223-E234 WeakPolarHBondContact CA-O 3.46Å; F223-P235 HydrophobicContact CD1-CB 4.4Å; F223-P235 HydrophobicContact CD1-CG 4.38Å; F223-P235 HydrophobicContact CE1-CB 4.22Å; F223-P235 HydrophobicContact CE1-CG 3.98Å
224I91.4Very high88.1Confident13 Ų1337.1 Ų37.17%0.06719%0.193CC..EExtended strand (participates in β ladder)trans-125.6137.2171.553.6171.2000111V198 L201 I221 T226 E234 F236 F241V198-I224 HydrophobicContact CB-CG2 4.28Å; V198-I224 CarbonylContact O-C 3.55Å; V198-I224 VanDerWaalsContact O-CA 3.28Å; V198-I224 WeakPolarHBondContact O-CA 3.35Å; L201-I224 HydrophobicContact CD1-CB 3.56Å; L201-I224 HydrophobicContact CD1-CD1 4.31Å; L201-I224 HydrophobicContact CD1-CG2 3.42Å; L201-I224 VanDerWaalsContact CD1-CG2 3.42Å; I221-I224 HydrophobicContact CG2-CG2 4.35Å; I224-T226 HydrophobicContact CD1-CG2 4.13Å; I224-T226 HydrophobicContact CG1-CG2 4.37Å; I224-E234 HydrophobicContact CD1-CB 4.42Å; I224-E234 HydrophobicContact CG1-CB 3.94Å; I224-E234 WeakPolarHBondContact CG1-O 3.41Å; I224-E234 PolarHBondContact N-O 2.96Å; I224-E234 PolarHBondContact O-N 3.24Å; I224-F236 HydrophobicContact CD1-CD2 4.5Å; I224-F236 HydrophobicContact CG2-CB 4.26Å; I224-F236 HydrophobicContact CG2-CD2 3.52Å; I224-F236 HydrophobicContact CG2-CE2 4.26Å; I224-F236 HydrophobicContact CG2-CG 4.27Å; I224-F241 HydrophobicContact CD1-CD2 4.47Å
225G90.2Very high88.3Confident2 Ų239.8 Ų39.82%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-95.8112.9170.700000110.3V198 K200 L201V198-G225 PolarHBondContact O-N 3.32Å; K200-G225 PolarHBondContact N-O 3.37Å; L201-G225 PolarHBondContact N-O 2.92Å; L201-G225 VanDerWaalsContact N-O 3.15Å
226T85.6Confident88.6Confident31 Ų3139.3 Ų39.319%0.1920%0.203CC..  trans-100.413.2-175.651.50000113.2D202 I224 D232 K313D202-T226 VanDerWaalsContact CB-O 3.29Å; D202-T226 WeakPolarHBondContact CB-O 3.46Å; I224-T226 HydrophobicContact CD1-CG2 4.13Å; I224-T226 HydrophobicContact CG1-CG2 4.37Å; T226-D232 PolarHBondContact N-O 3.01Å; T226-K313 PolarHBondContact O-NZ 2.98Å
227G85.6Confident88.7Confident9 Ų943.4 Ų43.49%0.09322%0.216CC..SBendtrans173-173.2179.500000112.4K71 D202 D232K71-G227 PolarHBondContact NZ-O 3.15Å; D202-G227 WeakPolarHBondContact OD2-CA 3.35Å; G227-D232 VanDerWaalsContact CA-OD2 3.31Å; G227-D232 WeakPolarHBondContact CA-OD2 3.34Å
228E86.5Confident88.7Confident167 Ų16744.3 Ų44.378%0.7822%0.221SC*.SBendtrans-89.9-23.8-177-62.4-169.8159.800113.2D232E228-D232 PolarHBondContact N-OD2 2.86Å
229H86.7Confident88.6Confident98 Ų9843.6 Ų43.645%0.45422%0.22SC..SBendtrans-73.7154.5-176.9-57.8-55000111.4K71 D231 D232K71-H229 WeakPolarHBondContact CE-O 3.4Å; K71-H229 PolarHBondContact NZ-O 3.01Å; K71-H229 VanDerWaalsContact NZ-O 3.17Å; H229-D231 PolarHBondContact O-N 3.01Å; H229-D232 WeakPolarHBondContact CB-OD2 3.36Å; H229-D232 IonicContact CD2-OD2 3.61Å; H229-D232 IonicContact CG-OD2 3.62Å; H229-D232 PolarHBondContact N-OD2 3.42Å; H229-D232 WeakPolarHBondContact O-CB 3.28Å; H229-D232 PolarHBondContact O-N 3.34Å
230I87.5Confident88.2Confident39 Ų3944.4 Ų44.420%0.223%0.225CC..THydrogen-bonded Turntrans-62.1-25.9-176.9-159.9168.3000113.1K71 Y74 A106K71-I230 HydrophobicContact CG-CG1 4.33Å; Y74-I230 HydrophobicContact CD1-CD1 4.26Å; Y74-I230 HydrophobicContact CD1-CG1 4Å; Y74-I230 HydrophobicContact CD1-CG2 4.27Å; Y74-I230 HydrophobicContact CD2-CD1 4.26Å; Y74-I230 HydrophobicContact CE1-CG2 4.36Å; Y74-I230 HydrophobicContact CG-CD1 3.79Å; Y74-I230 HydrophobicContact CG-CG1 4Å; A106-I230 HydrophobicContact CB-CD1 3.4Å
231D85.1Confident87.7Confident82 Ų8246.2 Ų46.244%0.43923%0.232SC..THydrogen-bonded Turntrans-82.1-14.8178.4-60.5-53.1000113.2Y74 H229 F233Y74-D231 VanDerWaalsContact CE1-OD1 3.23Å; Y74-D231 WeakPolarHBondContact CE1-OD1 3.17Å; H229-D231 PolarHBondContact O-N 3.01Å; D231-F233 PolarHBondContact O-N 2.84Å
232D87.6Confident87.3Confident28 Ų2845.7 Ų45.715%0.1523%0.229CC..  trans-81.757.7-179.1-56.6-28.1000110.6K71 T226 G227 E228 H229K71-D232 PolarHBondContact NZ-O 3.08Å; T226-D232 PolarHBondContact N-O 3.01Å; G227-D232 VanDerWaalsContact CA-OD2 3.31Å; G227-D232 WeakPolarHBondContact CA-OD2 3.34Å; E228-D232 PolarHBondContact N-OD2 2.86Å; H229-D232 WeakPolarHBondContact CB-OD2 3.36Å; H229-D232 IonicContact CD2-OD2 3.61Å; H229-D232 IonicContact CG-OD2 3.62Å; H229-D232 PolarHBondContact N-OD2 3.42Å; H229-D232 WeakPolarHBondContact O-CB 3.28Å; H229-D232 PolarHBondContact O-N 3.34Å
233F90.6Very high86.8Confident16 Ų1645.5 Ų45.57%0.0723%0.23CC..EExtended strand (participates in β ladder)trans-140.9114.2-175.7-164.5-118.5000110.9T68 K71 L72 Y75 I197 F223 D231T68-F233 HydrophobicContact CG2-CE2 3.87Å; T68-F233 HydrophobicContact CG2-CZ 4.31Å; K71-F233 HydrophobicContact CB-CB 3.96Å; K71-F233 HydrophobicContact CB-CD1 4.06Å; K71-F233 HydrophobicContact CB-CD2 3.85Å; K71-F233 HydrophobicContact CB-CE1 4.5Å; K71-F233 HydrophobicContact CB-CE2 4.31Å; K71-F233 HydrophobicContact CB-CG 3.7Å; K71-F233 HydrophobicContact CD-CB 4.07Å; K71-F233 HydrophobicContact CD-CD2 3.89Å; K71-F233 HydrophobicContact CD-CG 4.22Å; K71-F233 HydrophobicContact CG-CB 4.2Å; K71-F233 HydrophobicContact CG-CD2 4.44Å; K71-F233 HydrophobicContact CG-CG 4.38Å; L72-F233 HydrophobicContact CB-CE1 4.18Å; L72-F233 HydrophobicContact CB-CZ 4.27Å; L72-F233 HydrophobicContact CD1-CE1 3.77Å; L72-F233 HydrophobicContact CD1-CZ 4.06Å; Y75-F233 HydrophobicContact CG-CD1 4.45Å; I197-F233 HydrophobicContact CD1-CE2 4.39Å; I197-F233 HydrophobicContact CD1-CZ 4.04Å; I197-F233 HydrophobicContact CG2-CE2 4.16Å; F223-F233 HydrophobicContact CB-CD2 4.34Å; F223-F233 HydrophobicContact CB-CE1 3.88Å; F223-F233 HydrophobicContact CB-CE2 3.52Å; F223-F233 HydrophobicContact CB-CZ 3.26Å; F223-F233 AromaticContact CD1-CD1 3.82Å; F223-F233 HydrophobicContact CD1-CD1 3.82Å; F223-F233 AromaticContact CD1-CE1 3.31Å; F223-F233 HydrophobicContact CD1-CE1 3.31Å; F223-F233 HydrophobicContact CD1-CE2 4.43Å; F223-F233 AromaticContact CD1-CZ 3.68Å; F223-F233 HydrophobicContact CD1-CZ 3.68Å; F223-F233 HydrophobicContact CD2-CE1 4.04Å; F223-F233 AromaticContact CD2-CZ 3.87Å; F223-F233 HydrophobicContact CD2-CZ 3.87Å; F223-F233 HydrophobicContact CE1-CD1 4.28Å; F223-F233 AromaticContact CE1-CE1 3.78Å; F223-F233 HydrophobicContact CE1-CE1 3.78Å; F223-F233 HydrophobicContact CE1-CZ 4.48Å; F223-F233 HydrophobicContact CE2-CE1 4.45Å; F223-F233 HydrophobicContact CG-CD1 4.35Å; F223-F233 AromaticContact CG-CE1 3.48Å; F223-F233 HydrophobicContact CG-CE1 3.48Å; F223-F233 VanDerWaalsContact CG-CE1 3.48Å; F223-F233 HydrophobicContact CG-CE2 4.09Å; F223-F233 AromaticContact CG-CZ 3.33Å; F223-F233 HydrophobicContact CG-CZ 3.33Å; F223-F233 HydrophobicContact CZ-CE1 4.34Å; D231-F233 PolarHBondContact O-N 2.84Å
234E86.4Confident86Confident29 Ų2947.5 Ų47.514%0.13624%0.239CC..EExtended strand (participates in β ladder)trans-122.8138.9-171.7-55.2-176.7-156.500111.4F223 I224 F236 Q298F223-E234 CarbonylContact C-O 3.49Å; F223-E234 WeakPolarHBondContact CA-O 3.46Å; I224-E234 HydrophobicContact CD1-CB 4.42Å; I224-E234 HydrophobicContact CG1-CB 3.94Å; I224-E234 WeakPolarHBondContact CG1-O 3.41Å; I224-E234 PolarHBondContact N-O 2.96Å; I224-E234 PolarHBondContact O-N 3.24Å; E234-F236 PolarHBondContact O-N 3.49Å; E234-Q298 WeakPolarHBondContact OE2-CG 3.22Å; E234-Q298 PolarHBondContact OE2-NE2 2.94Å
235P89.3Confident85.3Confident59 Ų5951.8 Ų51.838%0.38326%0.261SS..EExtended strand (participates in β ladder)trans-58.8135.1169.1-21.232.1000110.9Y75 F223Y75-P235 HydrophobicContact CE2-CG 4.02Å; F223-P235 HydrophobicContact CD1-CB 4.4Å; F223-P235 HydrophobicContact CD1-CG 4.38Å; F223-P235 HydrophobicContact CE1-CB 4.22Å; F223-P235 HydrophobicContact CE1-CG 3.98Å
236F88.7Confident84.8Confident20 Ų2055.1 Ų55.19%0.08828%0.278CS..  trans-89.5120.4175.6-172.8-95.7000110.2V38 I221 I222 I224 E234 F241V38-F236 HydrophobicContact CG1-CE1 3.7Å; V38-F236 HydrophobicContact CG1-CZ 3.59Å; I221-F236 HydrophobicContact CB-CB 4.39Å; I221-F236 HydrophobicContact CB-CD1 3.63Å; I221-F236 HydrophobicContact CB-CE1 3.99Å; I221-F236 HydrophobicContact CB-CG 3.98Å; I221-F236 HydrophobicContact CD1-CE1 4.22Å; I221-F236 HydrophobicContact CD1-CZ 4.2Å; I221-F236 HydrophobicContact CG2-CB 3.78Å; I221-F236 HydrophobicContact CG2-CD1 3.86Å; I221-F236 HydrophobicContact CG2-CD2 4.09Å; I221-F236 HydrophobicContact CG2-CE1 4.44Å; I221-F236 HydrophobicContact CG2-CG 3.63Å; I221-F236 WeakPolarHBondContact O-CD1 3.47Å; I222-F236 PolarHBondContact O-N 2.82Å; I224-F236 HydrophobicContact CD1-CD2 4.5Å; I224-F236 HydrophobicContact CG2-CB 4.26Å; I224-F236 HydrophobicContact CG2-CD2 3.52Å; I224-F236 HydrophobicContact CG2-CE2 4.26Å; I224-F236 HydrophobicContact CG2-CG 4.27Å; E234-F236 PolarHBondContact O-N 3.49Å; F236-F241 HydrophobicContact CD2-CB 4.35Å; F236-F241 HydrophobicContact CD2-CD2 4.29Å; F236-F241 HydrophobicContact CD2-CG 4.23Å; F236-F241 HydrophobicContact CE2-CB 3.72Å; F236-F241 AromaticContact CE2-CD1 3.55Å; F236-F241 HydrophobicContact CE2-CD1 3.55Å; F236-F241 AromaticContact CE2-CD2 3.72Å; F236-F241 HydrophobicContact CE2-CD2 3.72Å; F236-F241 HydrophobicContact CE2-CE1 4.03Å; F236-F241 HydrophobicContact CE2-CE2 4.2Å; F236-F241 AromaticContact CE2-CG 3.37Å; F236-F241 HydrophobicContact CE2-CG 3.37Å; F236-F241 HydrophobicContact CE2-CZ 4.34Å; F236-F241 HydrophobicContact CZ-CB 4.04Å; F236-F241 AromaticContact CZ-CD1 3.77Å; F236-F241 HydrophobicContact CZ-CD1 3.77Å; F236-F241 HydrophobicContact CZ-CE1 4.39Å; F236-F241 AromaticContact CZ-CG 3.92Å; F236-F241 HydrophobicContact CZ-CG 3.92Å
237K84.8Confident84.3Confident112 Ų11256.2 Ų56.249%0.48730%0.295SS..  trans-119.4120.6167.4-65.1-177.8179.9178.50107.7Q239 P240 F241 D256K237-Q239 PolarHBondContact O-N 2.86Å; K237-P240 HydrophobicContact CB-CB 4.16Å; K237-P240 HydrophobicContact CB-CG 3.64Å; K237-P240 HydrophobicContact CD-CG 4.1Å; K237-P240 WeakPolarHBondContact O-CD 3.33Å; K237-F241 WeakPolarHBondContact O-CB 3.5Å; K237-F241 PolarHBondContact O-N 2.97Å; K237-D256 IonicContact NZ-OD2 3.83Å; K237-D256 PolarHBondContact NZ-OD2 3.46Å
238T85.6Confident83.8Confident23 Ų2360.9 Ų60.914%0.14132%0.316CS..Hα-helixtrans-55.8-49.6-172.7-54.50000112.8V35 V38 D39 F241 I242V35-T238 HydrophobicContact CB-CG2 4.44Å; V35-T238 HydrophobicContact CG1-CG2 4.09Å; V35-T238 HydrophobicContact CG2-CG2 4.48Å; V38-T238 HydrophobicContact CB-CG2 3.6Å; V38-T238 HydrophobicContact CG1-CG2 3.51Å; D39-T238 HydrophobicContact CB-CG2 4.07Å; T238-F241 PolarHBondContact O-N 3.27Å; T238-I242 HydrophobicContact CG2-CG1 4.44Å; T238-I242 WeakPolarHBondContact O-CG1 3.31Å; T238-I242 PolarHBondContact O-N 2.86Å
239Q85.6Confident83.3Confident118 Ų11853.3 Ų53.355%0.55128%0.283SS*.Hα-helixtrans-63.3-54.3-178.5-72.9-176.421.400112.3F31 V35 K237 F241 I242 S243F31-Q239 HydrophobicContact CZ-CB 4.26Å; F31-Q239 HydrophobicContact CZ-CG 4.31Å; V35-Q239 HydrophobicContact CG1-CG 4.3Å; V35-Q239 HydrophobicContact CG2-CG 4.21Å; K237-Q239 PolarHBondContact O-N 2.86Å; Q239-F241 VanDerWaalsContact C-N 3.28Å; Q239-F241 PolarHBondContact O-N 3.47Å; Q239-I242 PolarHBondContact O-N 3.31Å; Q239-S243 WeakPolarHBondContact O-CB 3.43Å; Q239-S243 PolarHBondContact O-N 3.37Å; Q239-S243 PolarHBondContact O-OG 3.28Å; Q239-S243 VanDerWaalsContact O-OG 3.09Å
240P82.9Confident83.1Confident22 Ų2249.5 Ų49.514%0.14327%0.266CS..Hα-helixtrans-51.8-42172-35.139.5000114.7K237 S243 K244 D250K237-P240 HydrophobicContact CB-CB 4.16Å; K237-P240 HydrophobicContact CB-CG 3.64Å; K237-P240 HydrophobicContact CD-CG 4.1Å; K237-P240 WeakPolarHBondContact O-CD 3.33Å; P240-S243 PolarHBondContact O-N 2.88Å; P240-K244 WeakPolarHBondContact O-CB 3.44Å; P240-K244 VanDerWaalsContact O-CG 3.28Å; P240-K244 WeakPolarHBondContact O-CG 3.48Å; P240-K244 PolarHBondContact O-N 2.97Å; P240-D250 HydrophobicContact CB-CB 4.25Å; P240-D250 WeakPolarHBondContact CB-OD2 3.45Å
241F82Confident82.6Confident51 Ų5148.7 Ų48.722%0.22426%0.262CS..Hα-helixtrans-64-47.2179.5-177.4-102.8000111.8I224 F236 K237 T238 Q239 S243 K244 L245I224-F241 HydrophobicContact CD1-CD2 4.47Å; F236-F241 HydrophobicContact CD2-CB 4.35Å; F236-F241 HydrophobicContact CD2-CD2 4.29Å; F236-F241 HydrophobicContact CD2-CG 4.23Å; F236-F241 HydrophobicContact CE2-CB 3.72Å; F236-F241 AromaticContact CE2-CD1 3.55Å; F236-F241 HydrophobicContact CE2-CD1 3.55Å; F236-F241 AromaticContact CE2-CD2 3.72Å; F236-F241 HydrophobicContact CE2-CD2 3.72Å; F236-F241 HydrophobicContact CE2-CE1 4.03Å; F236-F241 HydrophobicContact CE2-CE2 4.2Å; F236-F241 AromaticContact CE2-CG 3.37Å; F236-F241 HydrophobicContact CE2-CG 3.37Å; F236-F241 HydrophobicContact CE2-CZ 4.34Å; F236-F241 HydrophobicContact CZ-CB 4.04Å; F236-F241 AromaticContact CZ-CD1 3.77Å; F236-F241 HydrophobicContact CZ-CD1 3.77Å; F236-F241 HydrophobicContact CZ-CE1 4.39Å; F236-F241 AromaticContact CZ-CG 3.92Å; F236-F241 HydrophobicContact CZ-CG 3.92Å; K237-F241 WeakPolarHBondContact O-CB 3.5Å; K237-F241 PolarHBondContact O-N 2.97Å; T238-F241 PolarHBondContact O-N 3.27Å; Q239-F241 VanDerWaalsContact C-N 3.28Å; Q239-F241 PolarHBondContact O-N 3.47Å; F241-S243 VanDerWaalsContact C-N 3.34Å; F241-S243 PolarHBondContact O-N 3.32Å; F241-K244 PolarHBondContact O-N 3.36Å; F241-L245 HydrophobicContact CD1-CD1 3.74Å; F241-L245 HydrophobicContact CD1-CG 4.48Å; F241-L245 HydrophobicContact CE1-CD1 3.36Å; F241-L245 HydrophobicContact CE1-CG 4.21Å; F241-L245 HydrophobicContact CZ-CD1 3.92Å; F241-L245 HydrophobicContact CZ-CG 4.38Å; F241-L245 WeakPolarHBondContact O-CG 3.38Å; F241-L245 PolarHBondContact O-N 3.43Å
242I83.3Confident82.4Confident4 Ų451.4 Ų51.42%0.02127%0.272CS..Hα-helixtrans-65.1-38.7175-62.3-52.9000111.2F31 L34 V35 V38 T238 Q239 K244 L245 L246F31-I242 HydrophobicContact CD2-CB 4.27Å; F31-I242 HydrophobicContact CD2-CG2 3.45Å; F31-I242 VanDerWaalsContact CD2-CG2 3.45Å; F31-I242 HydrophobicContact CE2-CB 3.94Å; F31-I242 HydrophobicContact CE2-CG2 3.64Å; F31-I242 HydrophobicContact CG-CG2 4.29Å; L34-I242 HydrophobicContact CB-CD1 4.02Å; L34-I242 HydrophobicContact CB-CG1 4.3Å; L34-I242 HydrophobicContact CB-CG2 3.85Å; L34-I242 HydrophobicContact CD1-CG2 4.17Å; V35-I242 HydrophobicContact CG2-CB 4.13Å; V35-I242 HydrophobicContact CG2-CG1 4.02Å; V35-I242 HydrophobicContact CG2-CG2 4.27Å; V38-I242 HydrophobicContact CG2-CD1 3.86Å; V38-I242 HydrophobicContact CG2-CG1 4.48Å; T238-I242 HydrophobicContact CG2-CG1 4.44Å; T238-I242 WeakPolarHBondContact O-CG1 3.31Å; T238-I242 PolarHBondContact O-N 2.86Å; Q239-I242 PolarHBondContact O-N 3.31Å; I242-K244 PolarHBondContact O-N 3.18Å; I242-L245 HydrophobicContact CD1-CD1 3.98Å; I242-L245 WeakPolarHBondContact O-CB 3.45Å; I242-L245 PolarHBondContact O-N 3.04Å; I242-L246 HydrophobicContact CG2-CD1 4.29Å; I242-L246 HydrophobicContact CG2-CG 4.38Å; I242-L246 WeakPolarHBondContact O-CG 3.38Å; I242-L246 PolarHBondContact O-N 3.48Å
243S83.1Confident82Confident20 Ų2050.4 Ų50.414%0.1427%0.268CS..Hα-helixtrans-62.1-43.7176.8-67.80000111.6F31 Q239 P240 F241 L246 G247 M248 G249F31-S243 VanDerWaalsContact CE2-OG 3.28Å; F31-S243 WeakPolarHBondContact CE2-OG 3.29Å; Q239-S243 WeakPolarHBondContact O-CB 3.43Å; Q239-S243 PolarHBondContact O-N 3.37Å; Q239-S243 PolarHBondContact O-OG 3.28Å; Q239-S243 VanDerWaalsContact O-OG 3.09Å; P240-S243 PolarHBondContact O-N 2.88Å; F241-S243 VanDerWaalsContact C-N 3.34Å; F241-S243 PolarHBondContact O-N 3.32Å; S243-L246 CarbonylContact O-C 3.47Å; S243-L246 PolarHBondContact O-N 3.37Å; S243-G247 PolarHBondContact O-N 2.8Å; S243-G247 VanDerWaalsContact O-N 3.11Å; S243-M248 PolarHBondContact O-N 2.9Å; S243-G249 WeakPolarHBondContact CB-O 3.29Å
244K77.4Confident81.6Confident54 Ų5450.1 Ų50.124%0.23527%0.267CS..Hα-helixtrans-62-44.2173.7-72.2178.8-175179.70111.4P240 F241 I242 L246 G247 D250P240-K244 WeakPolarHBondContact O-CB 3.44Å; P240-K244 VanDerWaalsContact O-CG 3.28Å; P240-K244 WeakPolarHBondContact O-CG 3.48Å; P240-K244 PolarHBondContact O-N 2.97Å; F241-K244 PolarHBondContact O-N 3.36Å; I242-K244 PolarHBondContact O-N 3.18Å; K244-L246 VanDerWaalsContact C-N 3.28Å; K244-L246 PolarHBondContact O-N 3.35Å; K244-G247 PolarHBondContact O-N 3.1Å; K244-D250 HydrophobicContact CG-CB 4.4Å; K244-D250 IonicContact NZ-OD2 3.41Å
245L77.1Confident81.3Confident103 Ų10349.6 Ų49.654%0.53927%0.265SS..Hα-helixtrans-60.6-34.7176.1-77.2173.3000113.3F241 I242 G247F241-L245 HydrophobicContact CD1-CD1 3.74Å; F241-L245 HydrophobicContact CD1-CG 4.48Å; F241-L245 HydrophobicContact CE1-CD1 3.36Å; F241-L245 HydrophobicContact CE1-CG 4.21Å; F241-L245 HydrophobicContact CZ-CD1 3.92Å; F241-L245 HydrophobicContact CZ-CG 4.38Å; F241-L245 WeakPolarHBondContact O-CG 3.38Å; F241-L245 PolarHBondContact O-N 3.43Å; I242-L245 HydrophobicContact CD1-CD1 3.98Å; I242-L245 WeakPolarHBondContact O-CB 3.45Å; I242-L245 PolarHBondContact O-N 3.04Å; L245-G247 VanDerWaalsContact C-N 3.32Å
246L78.6Confident80.9Confident73 Ų7349.6 Ų49.638%0.38226%0.262SS..THydrogen-bonded Turntrans-86.41.1175.7-63.3-173.4000113.6F31 L34 I242 S243 K244 M248F31-L246 HydrophobicContact CB-CD1 3.81Å; F31-L246 HydrophobicContact CD2-CD1 3.77Å; F31-L246 HydrophobicContact CG-CD1 4.3Å; L34-L246 HydrophobicContact CD1-CD2 4.18Å; I242-L246 HydrophobicContact CG2-CD1 4.29Å; I242-L246 HydrophobicContact CG2-CG 4.38Å; I242-L246 WeakPolarHBondContact O-CG 3.38Å; I242-L246 PolarHBondContact O-N 3.48Å; S243-L246 CarbonylContact O-C 3.47Å; S243-L246 PolarHBondContact O-N 3.37Å; K244-L246 VanDerWaalsContact C-N 3.28Å; K244-L246 PolarHBondContact O-N 3.35Å; L246-M248 VanDerWaalsContact C-N 3.3Å; L246-M248 HydrophobicContact CB-CG 4.21Å; L246-M248 HydrophobicContact CB-SD 4.4Å; L246-M248 HydrophobicContact CD1-SD 4.48Å; L246-M248 PolarHBondContact O-N 3.49Å
247G75.9Confident80.4Confident53 Ų5350 Ų5055%0.54626%0.264SS..THydrogen-bonded Turntrans7317.6-178.600000114.7S243 K244 L245S243-G247 PolarHBondContact O-N 2.8Å; S243-G247 VanDerWaalsContact O-N 3.11Å; K244-G247 PolarHBondContact O-N 3.1Å; L245-G247 VanDerWaalsContact C-N 3.32Å
248M75.3Confident80Confident108 Ų10847.2 Ų47.253%0.53226%0.256SS..  trans-82.9-13.4179.2-64.5-179.86200113.4S243 L246 P304S243-M248 PolarHBondContact O-N 2.9Å; L246-M248 VanDerWaalsContact C-N 3.3Å; L246-M248 HydrophobicContact CB-CG 4.21Å; L246-M248 HydrophobicContact CB-SD 4.4Å; L246-M248 HydrophobicContact CD1-SD 4.48Å; L246-M248 PolarHBondContact O-N 3.49Å; M248-P304 WeakPolarHBondContact O-CG 3.43Å
249G76Confident79.6Confident8 Ų849.4 Ų49.48%0.08227%0.266CS..  trans75.2-175.1-177.200000113.8S243S243-G249 WeakPolarHBondContact CB-O 3.29Å
250D81.6Confident79.2Confident17 Ų1750 Ų509%0.09127%0.269CS..  trans-144.575.4-178176.322.5000109.6P240 K244 E252 G253 L254 M302P240-D250 HydrophobicContact CB-CB 4.25Å; P240-D250 WeakPolarHBondContact CB-OD2 3.45Å; K244-D250 HydrophobicContact CG-CB 4.4Å; K244-D250 IonicContact NZ-OD2 3.41Å; D250-E252 VanDerWaalsContact C-N 3.32Å; D250-G253 PolarHBondContact OD1-N 3.33Å; D250-L254 PolarHBondContact O-N 2.98Å; D250-M302 CarbonylContact C-O 3.45Å; D250-M302 HydrophobicContact CB-CB 4.34Å; D250-M302 HydrophobicContact CB-CG 4.15Å; D250-M302 PolarHBondContact N-O 3.36Å
251I78.7Confident78.7Confident22 Ų2250.5 Ų50.511%0.11327%0.271CS..Hα-helixtrans-66.3-36.2-178.4-60.3-64.4000111.2L254 I255 P304 Q437 F438I251-L254 PolarHBondContact O-N 3.33Å; I251-I255 HydrophobicContact CG2-CD1 3.83Å; I251-I255 HydrophobicContact CG2-CG1 4.44Å; I251-I255 VanDerWaalsContact O-CG1 3.3Å; I251-I255 WeakPolarHBondContact O-CG1 3.1Å; I251-I255 PolarHBondContact O-N 3.18Å; I251-P304 VanDerWaalsContact CD1-CD 3.45Å; I251-P304 HydrophobicContact CD1-CG 3.89Å; I251-P304 HydrophobicContact CG1-CG 4.17Å; I251-Q437 HydrophobicContact CG1-CB 4.29Å; I251-F438 HydrophobicContact CD1-CD2 4.19Å; I251-F438 HydrophobicContact CD1-CE1 4.38Å; I251-F438 HydrophobicContact CD1-CE2 3.82Å; I251-F438 HydrophobicContact CD1-CZ 3.94Å; I251-F438 HydrophobicContact CG2-CD1 4.11Å; I251-F438 HydrophobicContact CG2-CE1 4.43Å; I251-F438 HydrophobicContact CG2-CG 4.36Å
252E79.2Confident78.2Confident139 Ų13955 Ų5565%0.6529%0.29SS*.Hα-helixtrans-63.3-49.2178.5-67.2179.1-177.500111D250 L254 I255 D256D250-E252 VanDerWaalsContact C-N 3.32Å; E252-L254 VanDerWaalsContact C-N 3.27Å; E252-L254 PolarHBondContact O-N 2.99Å; E252-I255 PolarHBondContact O-N 2.95Å; E252-I255 VanDerWaalsContact O-N 3.16Å; E252-D256 PolarHBondContact O-N 3.08Å
253G80.7Confident77.3Confident7 Ų757.3 Ų57.37%0.07230%0.302CS..Hα-helixtrans-62.8-32.1176.800000113.6D250 K257D250-G253 PolarHBondContact OD1-N 3.33Å; G253-K257 PolarHBondContact O-N 3.33Å; G253-K257 VanDerWaalsContact O-N 3.08Å
254L81.1Confident76.1Confident11 Ų1161.9 Ų61.96%0.05833%0.325CS..Hα-helixtrans-69.2-41.2174.1-177.855.3000112D250 I251 E252 K257 V258 I299 M302 I303 F438D250-L254 PolarHBondContact O-N 2.98Å; I251-L254 PolarHBondContact O-N 3.33Å; E252-L254 VanDerWaalsContact C-N 3.27Å; E252-L254 PolarHBondContact O-N 2.99Å; L254-K257 PolarHBondContact O-N 2.96Å; L254-V258 WeakPolarHBondContact O-CG2 3.32Å; L254-V258 PolarHBondContact O-N 3.13Å; L254-I299 HydrophobicContact CD1-CG2 4.01Å; L254-M302 HydrophobicContact CB-CB 4.13Å; L254-M302 HydrophobicContact CB-SD 4.18Å; L254-M302 HydrophobicContact CD1-SD 4.46Å; L254-I303 HydrophobicContact CD2-CG1 3.87Å; L254-F438 HydrophobicContact CD2-CE1 3.5Å; L254-F438 HydrophobicContact CD2-CZ 3.35Å; L254-F438 HydrophobicContact CG-CE1 4.06Å; L254-F438 HydrophobicContact CG-CZ 4.38Å
255I80.7Confident75.2Confident18 Ų1865.3 Ų65.39%0.09235%0.346CS..Hα-helixtrans-64.2-43.5175.1-68164.8000110.3I251 E252 K257 V258 N259 F438 G441I251-I255 HydrophobicContact CG2-CD1 3.83Å; I251-I255 HydrophobicContact CG2-CG1 4.44Å; I251-I255 VanDerWaalsContact O-CG1 3.3Å; I251-I255 WeakPolarHBondContact O-CG1 3.1Å; I251-I255 PolarHBondContact O-N 3.18Å; E252-I255 PolarHBondContact O-N 2.95Å; E252-I255 VanDerWaalsContact O-N 3.16Å; I255-K257 VanDerWaalsContact C-N 3.3Å; I255-K257 PolarHBondContact O-N 3.46Å; I255-V258 PolarHBondContact O-N 2.89Å; I255-N259 WeakPolarHBondContact O-CB 3.31Å; I255-N259 VanDerWaalsContact O-CG 3.25Å; I255-N259 PolarHBondContact O-N 2.92Å; I255-F438 HydrophobicContact CG1-CD1 4.49Å; I255-G441 VanDerWaalsContact CD1-C 3.41Å
256D81.4Confident74.6Confident58 Ų5862.9 Ų62.931%0.3133%0.334SS..Hα-helixtrans-56.2-45175.3-74.9-14.3000111.2K237 E252 N259 E260K237-D256 IonicContact NZ-OD2 3.83Å; K237-D256 PolarHBondContact NZ-OD2 3.46Å; E252-D256 PolarHBondContact O-N 3.08Å; D256-N259 PolarHBondContact O-N 2.92Å; D256-E260 WeakPolarHBondContact O-CG 3.41Å; D256-E260 PolarHBondContact O-N 3.42Å
257K77.5Confident74.4Confident30 Ų3067.1 Ų67.113%0.1335%0.351CS..Hα-helixtrans-63.5-41.5176.3-82.8-167.6166.9-154.40113.3G253 L254 I255 N259 E260 L261 M293 M302G253-K257 PolarHBondContact O-N 3.33Å; G253-K257 VanDerWaalsContact O-N 3.08Å; L254-K257 PolarHBondContact O-N 2.96Å; I255-K257 VanDerWaalsContact C-N 3.3Å; I255-K257 PolarHBondContact O-N 3.46Å; K257-N259 VanDerWaalsContact C-N 3.31Å; K257-E260 PolarHBondContact O-N 2.9Å; K257-L261 PolarHBondContact O-N 3.03Å; K257-M293 PolarHBondContact NZ-O 3.43Å; K257-M302 HydrophobicContact CD-CE 4.07Å; K257-M302 HydrophobicContact CD-SD 4.13Å
258V77Confident74.5Confident53 Ų5367.1 Ų67.132%0.32135%0.347SS..Hα-helixtrans-65.2-39176.6171.90000110.5L254 I255 L261 L263L254-V258 WeakPolarHBondContact O-CG2 3.32Å; L254-V258 PolarHBondContact O-N 3.13Å; I255-V258 PolarHBondContact O-N 2.89Å; V258-L261 WeakPolarHBondContact O-CB 3.49Å; V258-L261 PolarHBondContact O-N 3.41Å; V258-L263 HydrophobicContact CG1-CD1 4.42Å
259N77Confident74.6Confident68 Ų6863 Ų6336%0.36433%0.327SS..Hα-helixtrans-66.7-37.5174.7-69.6-11.8000111.9I255 D256 K257 L261 K262 N445I255-N259 WeakPolarHBondContact O-CB 3.31Å; I255-N259 VanDerWaalsContact O-CG 3.25Å; I255-N259 PolarHBondContact O-N 2.92Å; D256-N259 PolarHBondContact O-N 2.92Å; K257-N259 VanDerWaalsContact C-N 3.31Å; N259-L261 PolarHBondContact O-N 3.32Å; N259-K262 PolarHBondContact O-N 3.24Å; N259-N445 PolarHBondContact ND2-ND2 3.47Å
260E76Confident74.6Confident130 Ų13065.1 Ų65.161%0.60734%0.335SS*.Hα-helixtrans-61.6-26.7174.5-79.2-172.2163.700112.6K79 D256 K257 K262K79-E260 IonicContact NZ-OE1 2.73Å; K79-E260 PolarHBondContact NZ-OE1 2.99Å; D256-E260 WeakPolarHBondContact O-CG 3.41Å; D256-E260 PolarHBondContact O-N 3.42Å; K257-E260 PolarHBondContact O-N 2.9Å; E260-K262 PolarHBondContact O-N 3.4Å
261L73Confident74.5Confident33 Ų3369.9 Ų69.917%0.17336%0.357CS..THydrogen-bonded Turntrans-73.2-14.5173.8-68.8176000113.8K257 V258 N259 L263 N289 K292 M293K257-L261 PolarHBondContact O-N 3.03Å; V258-L261 WeakPolarHBondContact O-CB 3.49Å; V258-L261 PolarHBondContact O-N 3.41Å; N259-L261 PolarHBondContact O-N 3.32Å; L261-L263 HydrophobicContact CB-CD1 4.49Å; L261-L263 HydrophobicContact CB-CD2 4.16Å; L261-L263 HydrophobicContact CB-CG 3.83Å; L261-L263 HydrophobicContact CD1-CD1 4.08Å; L261-L263 HydrophobicContact CD1-CG 4.25Å; L261-L263 PolarHBondContact O-N 3.28Å; L261-N289 HydrophobicContact CD1-CB 4.45Å; L261-K292 HydrophobicContact CD2-CB 3.85Å; L261-M293 HydrophobicContact CD1-CE 4.18Å; L261-M293 HydrophobicContact CD1-CG 3.28Å; L261-M293 HydrophobicContact CD1-SD 3.52Å; L261-M293 VanDerWaalsContact CD1-SD 3.52Å; L261-M293 HydrophobicContact CD2-CG 3.91Å; L261-M293 HydrophobicContact CG-CG 3.87Å
262K71.5Confident74.6Confident145 Ų14571.9 Ų71.963%0.6337%0.365SS*.THydrogen-bonded Turntrans51.439.3-176.9-57.3-174.9176.8-171.90113.5N259 E260 D264 D265N259-K262 PolarHBondContact O-N 3.24Å; E260-K262 PolarHBondContact O-N 3.4Å; K262-D264 PolarHBondContact O-N 3.41Å; K262-D265 PolarHBondContact O-N 3.31Å
263L64.9Low74.7Confident53 Ų5366.7 Ų66.728%0.27734%0.342SS..G310 helixtrans-63.6-29.1179.4-63.6-179.7000112.4V258 L261 D265 N266 N289V258-L263 HydrophobicContact CG1-CD1 4.42Å; L261-L263 HydrophobicContact CB-CD1 4.49Å; L261-L263 HydrophobicContact CB-CD2 4.16Å; L261-L263 HydrophobicContact CB-CG 3.83Å; L261-L263 HydrophobicContact CD1-CD1 4.08Å; L261-L263 HydrophobicContact CD1-CG 4.25Å; L261-L263 PolarHBondContact O-N 3.28Å; L263-D265 PolarHBondContact O-N 2.85Å; L263-N266 WeakPolarHBondContact O-CB 3.29Å; L263-N266 PolarHBondContact O-N 3.41Å; L263-N289 HydrophobicContact CD2-CB 4.19Å; L263-N289 WeakPolarHBondContact CD2-ND2 3.34Å
264D58Low74.6Confident116 Ų11671.2 Ų71.262%0.6236%0.359SS*.G310 helixtrans-63-21-179.7-65.7-18.6000112.7K262 N266K262-D264 PolarHBondContact O-N 3.41Å; D264-N266 PolarHBondContact O-N 3Å
265D57.6Low74.7Confident127 Ų12776.7 Ų76.768%0.67938%0.384SS*.G310 helixtrans-72.1-10.1176.1-66.4-17.2000112.3K262 L263 E267K262-D265 PolarHBondContact O-N 3.31Å; L263-D265 PolarHBondContact O-N 2.85Å; D265-E267 PolarHBondContact O-N 3.08Å
266N66Low74.8Confident52 Ų5276.4 Ų76.428%0.27839%0.385SS..  trans-94.364.4-178.1-156.3-14.6000112.1L263 D264 A268 L269 I270L263-N266 WeakPolarHBondContact O-CB 3.29Å; L263-N266 PolarHBondContact O-N 3.41Å; D264-N266 PolarHBondContact O-N 3Å; N266-A268 PolarHBondContact O-N 3.28Å; N266-L269 HydrophobicContact CB-CB 4.08Å; N266-L269 WeakPolarHBondContact O-CB 3.45Å; N266-L269 PolarHBondContact O-N 3.3Å; N266-L269 PolarHBondContact OD1-N 3.45Å; N266-I270 PolarHBondContact O-N 3.09Å
267E74Confident74.9Confident161 Ų16177.6 Ų77.675%0.75239%0.389SS*.Hα-helixtrans-53.1-35.8176.1-68.5-167.5159.300112.4D265 L269 I270 E271D265-E267 PolarHBondContact O-N 3.08Å; E267-L269 VanDerWaalsContact C-N 3.33Å; E267-L269 PolarHBondContact O-N 3.4Å; E267-I270 PolarHBondContact O-N 3.38Å; E267-I270 VanDerWaalsContact O-N 3.16Å; E267-E271 PolarHBondContact O-N 3.24Å
268A78Confident75.5Confident54 Ų5476.9 Ų76.945%0.44639%0.386SS..Hα-helixtrans-61.4-39.3177.500000112.3N266 E271 K272N266-A268 PolarHBondContact O-N 3.28Å; A268-E271 PolarHBondContact O-N 3.06Å; A268-K272 WeakPolarHBondContact O-CB 3.49Å; A268-K272 VanDerWaalsContact O-CG 3.29Å; A268-K272 WeakPolarHBondContact O-CG 3.41Å; A268-K272 PolarHBondContact O-N 3.34Å
269L76.5Confident76.2Confident21 Ų2174.8 Ų74.811%0.1137%0.374CS..Hα-helixtrans-64.9-45.3174.2-176.869000110.6N266 E267 E271 K272 L273 D282N266-L269 HydrophobicContact CB-CB 4.08Å; N266-L269 WeakPolarHBondContact O-CB 3.45Å; N266-L269 PolarHBondContact O-N 3.3Å; N266-L269 PolarHBondContact OD1-N 3.45Å; E267-L269 VanDerWaalsContact C-N 3.33Å; E267-L269 PolarHBondContact O-N 3.4Å; L269-E271 VanDerWaalsContact C-N 3.28Å; L269-E271 PolarHBondContact O-N 3.23Å; L269-K272 PolarHBondContact O-N 3.04Å; L269-L273 HydrophobicContact CD1-CG 4.5Å; L269-L273 HydrophobicContact CG-CD1 4.16Å; L269-L273 HydrophobicContact CG-CG 4.34Å; L269-L273 WeakPolarHBondContact O-CB 3.42Å; L269-L273 WeakPolarHBondContact O-CG 2.92Å; L269-L273 PolarHBondContact O-N 2.83Å; L269-D282 HydrophobicContact CD1-CB 4.11Å
270I75.6Confident76.9Confident52 Ų5271.6 Ų71.627%0.26736%0.356SS..Hα-helixtrans-59.8-41.2178.7-62.9178.5000110.8N266 E267 L273 K274 F392N266-I270 PolarHBondContact O-N 3.09Å; E267-I270 PolarHBondContact O-N 3.38Å; E267-I270 VanDerWaalsContact O-N 3.16Å; I270-L273 PolarHBondContact O-N 3.31Å; I270-K274 WeakPolarHBondContact O-CG 3.43Å; I270-K274 PolarHBondContact O-N 3.39Å; I270-F392 HydrophobicContact CG2-CB 3.83Å; I270-F392 HydrophobicContact CG2-CD1 4.37Å; I270-F392 HydrophobicContact CG2-CG 4.34Å
271E79.9Confident77.7Confident118 Ų11869 Ų6955%0.55134%0.341SS*.Hα-helixtrans-64.9-47.2176.3-168.8175.2-173.400112.2E267 A268 L269 L273 K274 H275E267-E271 PolarHBondContact O-N 3.24Å; A268-E271 PolarHBondContact O-N 3.06Å; L269-E271 VanDerWaalsContact C-N 3.28Å; L269-E271 PolarHBondContact O-N 3.23Å; E271-L273 VanDerWaalsContact C-N 3.32Å; E271-L273 PolarHBondContact O-N 3.35Å; E271-K274 WeakPolarHBondContact O-CB 3.3Å; E271-K274 PolarHBondContact O-N 2.97Å; E271-H275 PolarHBondContact O-CD2 2.91Å; E271-H275 PolarHBondContact O-N 3.4Å
272K81.3Confident78.5Confident63 Ų6367.4 Ų67.427%0.27433%0.333SS..Hα-helixtrans-56.8-44.9174-74.9171.1173179.70112A268 L269 K274 H275 G276 Q277 D282A268-K272 WeakPolarHBondContact O-CB 3.49Å; A268-K272 VanDerWaalsContact O-CG 3.29Å; A268-K272 WeakPolarHBondContact O-CG 3.41Å; A268-K272 PolarHBondContact O-N 3.34Å; L269-K272 PolarHBondContact O-N 3.04Å; K272-K274 PolarHBondContact O-N 3.48Å; K272-H275 CarbonylContact O-C 3.42Å; K272-H275 PolarHBondContact O-N 3.45Å; K272-H275 VanDerWaalsContact O-N 3.12Å; K272-G276 PolarHBondContact O-N 3.38Å; K272-G276 VanDerWaalsContact O-N 3.11Å; K272-Q277 CarbonylContact C-O 3.59Å; K272-Q277 HydrophobicContact CB-CB 4.31Å; K272-Q277 PolarHBondContact O-N 2.85Å; K272-D282 IonicContact NZ-OD1 3.95Å; K272-D282 PolarHBondContact NZ-OD1 2.76Å; K272-D282 IonicContact NZ-OD2 3.92Å
273L80.7Confident79.4Confident31 Ų3160.6 Ų60.616%0.16230%0.303CS..Hα-helixtrans-61.5-40.7177.9-69.6176.4000111.8L269 I270 E271 H275 G276 V382 G386 F392L269-L273 HydrophobicContact CD1-CG 4.5Å; L269-L273 HydrophobicContact CG-CD1 4.16Å; L269-L273 HydrophobicContact CG-CG 4.34Å; L269-L273 WeakPolarHBondContact O-CB 3.42Å; L269-L273 WeakPolarHBondContact O-CG 2.92Å; L269-L273 PolarHBondContact O-N 2.83Å; I270-L273 PolarHBondContact O-N 3.31Å; E271-L273 VanDerWaalsContact C-N 3.32Å; E271-L273 PolarHBondContact O-N 3.35Å; L273-H275 VanDerWaalsContact C-N 3.26Å; L273-H275 PolarHBondContact O-N 3Å; L273-G276 PolarHBondContact O-N 3.25Å; L273-V382 HydrophobicContact CD2-CB 4.11Å; L273-V382 HydrophobicContact CD2-CG1 3.36Å; L273-V382 HydrophobicContact CD2-CG2 3.66Å; L273-G386 WeakPolarHBondContact O-CA 3.49Å; L273-F392 HydrophobicContact CB-CE1 4.45Å; L273-F392 HydrophobicContact CB-CE2 4.36Å; L273-F392 HydrophobicContact CB-CZ 4.09Å; L273-F392 HydrophobicContact CD1-CE1 4.06Å; L273-F392 HydrophobicContact CD1-CZ 4.29Å
274K78.9Confident80.7Confident101 Ų10160.6 Ų60.644%0.43930%0.3SS..Hα-helixtrans-59.6-37.3174.4-74.7168.4-177.7165.20111.9I270 E271 K272 G276 F392I270-K274 WeakPolarHBondContact O-CG 3.43Å; I270-K274 PolarHBondContact O-N 3.39Å; E271-K274 WeakPolarHBondContact O-CB 3.3Å; E271-K274 PolarHBondContact O-N 2.97Å; K272-K274 PolarHBondContact O-N 3.48Å; K274-G276 VanDerWaalsContact C-N 3.27Å; K274-G276 PolarHBondContact O-N 3.45Å; K274-F392 HydrophobicContact CD-CB 4.44Å; K274-F392 WeakPolarHBondContact CE-O 3.41Å; K274-F392 HydrophobicContact CG-CB 4.07Å; K274-F392 HydrophobicContact CG-CD2 4.03Å; K274-F392 HydrophobicContact CG-CG 4.35Å
275H82.8Confident82.1Confident127 Ų12757.9 Ų57.959%0.58828%0.284SS*.THydrogen-bonded Turntrans-83.11.3175.9-67.5-62.7000113.9E271 K272 L273 Q277E271-H275 PolarHBondContact O-CD2 2.91Å; E271-H275 PolarHBondContact O-N 3.4Å; K272-H275 CarbonylContact O-C 3.42Å; K272-H275 PolarHBondContact O-N 3.45Å; K272-H275 VanDerWaalsContact O-N 3.12Å; L273-H275 VanDerWaalsContact C-N 3.26Å; L273-H275 PolarHBondContact O-N 3Å; H275-Q277 HydrophobicContact CB-CG 4.08Å; H275-Q277 PolarHBondContact O-N 3.21Å
276G82.5Confident83.5Confident11 Ų1154.4 Ų54.411%0.11326%0.263CS..THydrogen-bonded Turntrans65.823.5-177.200000113.2K272 L273 K274 K383K272-G276 PolarHBondContact O-N 3.38Å; K272-G276 VanDerWaalsContact O-N 3.11Å; L273-G276 PolarHBondContact O-N 3.25Å; K274-G276 VanDerWaalsContact C-N 3.27Å; K274-G276 PolarHBondContact O-N 3.45Å; G276-K383 WeakPolarHBondContact O-CG 3.41Å
277Q84.7Confident84.6Confident84 Ų8452.5 Ų52.539%0.39325%0.253SS..  trans-92.1130.6175.7-61.5-177.29.800108.9K272 H275K272-Q277 CarbonylContact C-O 3.59Å; K272-Q277 HydrophobicContact CB-CB 4.31Å; K272-Q277 PolarHBondContact O-N 2.85Å; H275-Q277 HydrophobicContact CB-CG 4.08Å; H275-Q277 PolarHBondContact O-N 3.21Å
278F88.9Confident85.2Confident15 Ų1548.1 Ų48.17%0.06623%0.232CC..  trans-145.2108.1177.3-174-111.3000108D282 M283 Y375 F378 A379 V382F278-D282 HydrophobicContact CD2-CB 3.88Å; F278-D282 HydrophobicContact CE2-CB 3.84Å; F278-M283 HydrophobicContact CE1-CB 3.72Å; F278-M283 HydrophobicContact CE1-CG 4.19Å; F278-M283 HydrophobicContact CE1-SD 4.44Å; F278-M283 HydrophobicContact CZ-CB 3.62Å; F278-M283 HydrophobicContact CZ-CG 4.16Å; F278-Y375 HydrophobicContact CD1-CD2 4.06Å; F278-Y375 AromaticContact CD1-CE2 3.77Å; F278-Y375 HydrophobicContact CD1-CE2 3.77Å; F278-Y375 HydrophobicContact CE1-CD2 4.13Å; F278-Y375 HydrophobicContact CE1-CE2 4.25Å; F278-Y375 VanDerWaalsContact O-CE2 3.3Å; F278-Y375 WeakPolarHBondContact O-CE2 3.48Å; F278-Y375 PolarHBondContact O-OH 2.67Å; F278-F378 HydrophobicContact CD1-CB 4.26Å; F278-F378 HydrophobicContact CE1-CB 3.7Å; F278-F378 HydrophobicContact CZ-CB 4.34Å; F278-A379 HydrophobicContact CB-CB 4.44Å; F278-A379 HydrophobicContact CD1-CB 4.31Å; F278-V382 HydrophobicContact CB-CB 4.09Å; F278-V382 HydrophobicContact CB-CG1 4.01Å; F278-V382 HydrophobicContact CB-CG2 4.11Å; F278-V382 HydrophobicContact CD2-CG2 3.82Å; F278-V382 HydrophobicContact CE2-CG2 4.38Å; F278-V382 HydrophobicContact CG-CB 4.46Å; F278-V382 HydrophobicContact CG-CG2 3.94Å
279T91.9Very high85.5Confident9 Ų946.6 Ų46.66%0.05522%0.217CC..  trans-89.3168-17975.50000110.8R281 D282 M283 L338T279-R281 PolarHBondContact O-N 3.35Å; T279-R281 PolarHBondContact OG1-N 3.41Å; T279-D282 PolarHBondContact N-OD2 3.07Å; T279-D282 PolarHBondContact O-N 2.89Å; T279-D282 VanDerWaalsContact OG1-CG 3.22Å; T279-D282 PolarHBondContact OG1-N 3.02Å; T279-D282 VanDerWaalsContact OG1-N 3.09Å; T279-D282 PolarHBondContact OG1-OD1 2.97Å; T279-D282 PolarHBondContact OG1-OD2 3.34Å; T279-M283 PolarHBondContact O-N 2.74Å; T279-M283 VanDerWaalsContact O-N 3.17Å; T279-L338 VanDerWaalsContact CB-O 3.26Å; T279-L338 WeakPolarHBondContact CB-O 3.23Å; T279-L338 PolarHBondContact OG1-O 3.35Å
280L92.6Very high85.9Confident0 Ų048 Ų480%022%0.223CC..Hα-helixtrans-68.6-28.2172.8-79.1164.2000111M283 Y284 M333 L338 F347 L371 Y375L280-M283 HydrophobicContact CD2-SD 4.43Å; L280-M283 WeakPolarHBondContact O-CB 3.37Å; L280-M283 PolarHBondContact O-N 3.29Å; L280-Y284 WeakPolarHBondContact O-CB 3.18Å; L280-Y284 PolarHBondContact O-N 2.63Å; L280-M333 HydrophobicContact CD1-SD 3.74Å; L280-L338 HydrophobicContact CB-CD2 3.95Å; L280-L338 PolarHBondContact N-O 3.46Å; L280-L338 VanDerWaalsContact N-O 3.08Å; L280-F347 HydrophobicContact CD1-CE2 4.2Å; L280-L371 HydrophobicContact CD2-CD2 4.01Å; L280-Y375 HydrophobicContact CD2-CD1 4.44Å; L280-Y375 HydrophobicContact CD2-CD2 3.55Å; L280-Y375 HydrophobicContact CD2-CE2 4.13Å; L280-Y375 HydrophobicContact CD2-CG 3.73Å; L280-Y375 HydrophobicContact CG-CD2 3.98Å; L280-Y375 HydrophobicContact CG-CE2 4.03Å; L280-Y375 HydrophobicContact CG-CG 4.34Å
281R92Very high86.1Confident75 Ų7549.2 Ų49.228%0.28323%0.229SC..Hα-helixtrans-63.4-44.5170.3-167.7176.1-57.3-83.52.1111.9T279 M283 Y284 E285 D335 L338 D339T279-R281 PolarHBondContact O-N 3.35Å; T279-R281 PolarHBondContact OG1-N 3.41Å; R281-M283 VanDerWaalsContact C-N 3.27Å; R281-M283 PolarHBondContact O-N 3.14Å; R281-Y284 WeakPolarHBondContact O-CB 3.31Å; R281-Y284 PolarHBondContact O-N 2.89Å; R281-Y284 VanDerWaalsContact O-N 3.13Å; R281-E285 WeakPolarHBondContact O-CG 3.48Å; R281-E285 PolarHBondContact O-N 3.24Å; R281-D335 IonicContact CZ-OD1 3.3Å; R281-D335 IonicContact NH2-OD1 2.69Å; R281-D335 PolarHBondContact NH2-OD1 3.4Å; R281-L338 HydrophobicContact CB-CB 4.39Å; R281-L338 PolarHBondContact N-O 2.93Å; R281-D339 WeakPolarHBondContact CD-OD1 3.46Å; R281-D339 IonicContact CZ-OD1 3.86Å; R281-D339 IonicContact CZ-OD2 3.92Å; R281-D339 IonicContact NE-OD1 3.68Å; R281-D339 PolarHBondContact NE-OD1 3.3Å; R281-D339 IonicContact NE-OD2 2.82Å; R281-D339 PolarHBondContact NE-OD2 3.01Å; R281-D339 IonicContact NH2-OD1 3.9Å; R281-D339 IonicContact NH2-OD2 2.77Å; R281-D339 PolarHBondContact NH2-OD2 3.17Å
282D89.9Confident86.2Confident1 Ų149.5 Ų49.51%0.00523%0.228CC..Hα-helixtrans-60.1-41.9176.3-56-32.3000110.2L269 K272 F278 T279 Y284 E285 Q286L269-D282 HydrophobicContact CD1-CB 4.11Å; K272-D282 IonicContact NZ-OD1 3.95Å; K272-D282 PolarHBondContact NZ-OD1 2.76Å; K272-D282 IonicContact NZ-OD2 3.92Å; F278-D282 HydrophobicContact CD2-CB 3.88Å; F278-D282 HydrophobicContact CE2-CB 3.84Å; T279-D282 PolarHBondContact N-OD2 3.07Å; T279-D282 PolarHBondContact O-N 2.89Å; T279-D282 VanDerWaalsContact OG1-CG 3.22Å; T279-D282 PolarHBondContact OG1-N 3.02Å; T279-D282 VanDerWaalsContact OG1-N 3.09Å; T279-D282 PolarHBondContact OG1-OD1 2.97Å; T279-D282 PolarHBondContact OG1-OD2 3.34Å; D282-Y284 PolarHBondContact O-N 2.8Å; D282-E285 PolarHBondContact O-N 3.17Å; D282-Q286 VanDerWaalsContact O-CG 3.32Å; D282-Q286 WeakPolarHBondContact O-CG 3.3Å; D282-Q286 PolarHBondContact O-N 3.17Å
283M90.8Very high85.9Confident2 Ų248.4 Ų48.41%0.0123%0.225CC..Hα-helixtrans-61.9-41.9174.7-171.9173.413000112.8F278 T279 L280 R281 Q286 F287 M330 L371 Y375 F378F278-M283 HydrophobicContact CE1-CB 3.72Å; F278-M283 HydrophobicContact CE1-CG 4.19Å; F278-M283 HydrophobicContact CE1-SD 4.44Å; F278-M283 HydrophobicContact CZ-CB 3.62Å; F278-M283 HydrophobicContact CZ-CG 4.16Å; T279-M283 PolarHBondContact O-N 2.74Å; T279-M283 VanDerWaalsContact O-N 3.17Å; L280-M283 HydrophobicContact CD2-SD 4.43Å; L280-M283 WeakPolarHBondContact O-CB 3.37Å; L280-M283 PolarHBondContact O-N 3.29Å; R281-M283 VanDerWaalsContact C-N 3.27Å; R281-M283 PolarHBondContact O-N 3.14Å; M283-Q286 PolarHBondContact O-N 2.95Å; M283-F287 HydrophobicContact CE-CE2 3.44Å; M283-F287 VanDerWaalsContact CE-CE2 3.44Å; M283-F287 HydrophobicContact CE-CZ 3.53Å; M283-F287 HydrophobicContact CG-CE1 4.35Å; M283-F287 HydrophobicContact CG-CE2 4.21Å; M283-F287 HydrophobicContact CG-CZ 4.05Å; M283-F287 PolarHBondContact O-N 3.32Å; M283-F287 HydrophobicContact SD-CZ 4.43Å; M283-M330 HydrophobicContact CE-CE 4.29Å; M283-M330 HydrophobicContact CE-SD 4.07Å; M283-L371 HydrophobicContact CE-CD2 4.13Å; M283-L371 HydrophobicContact CE-CG 4.09Å; M283-Y375 HydrophobicContact SD-CD2 4.01Å; M283-Y375 HydrophobicContact SD-CG 4.45Å; M283-F378 HydrophobicContact SD-CD2 4.46Å
284Y91.8Very high85.5Confident52 Ų5248 Ų4820%0.20423%0.228CC..Hα-helixtrans-61.9-45.9176.3-175.1-91000111.7L280 R281 D282 Q286 F287 Q288 M327 M330 D331L280-Y284 WeakPolarHBondContact O-CB 3.18Å; L280-Y284 PolarHBondContact O-N 2.63Å; R281-Y284 WeakPolarHBondContact O-CB 3.31Å; R281-Y284 PolarHBondContact O-N 2.89Å; R281-Y284 VanDerWaalsContact O-N 3.13Å; D282-Y284 PolarHBondContact O-N 2.8Å; Y284-Q286 VanDerWaalsContact C-N 3.33Å; Y284-Q286 PolarHBondContact O-N 3.36Å; Y284-F287 PolarHBondContact O-N 2.95Å; Y284-Q288 HydrophobicContact CD1-CG 4.19Å; Y284-Q288 HydrophobicContact CE1-CG 3.95Å; Y284-Q288 PolarHBondContact O-N 2.86Å; Y284-M327 HydrophobicContact CD2-CB 4.44Å; Y284-M327 HydrophobicContact CD2-CG 4.32Å; Y284-M327 HydrophobicContact CE1-CE 4.28Å; Y284-M327 HydrophobicContact CE2-CB 3.93Å; Y284-M327 HydrophobicContact CE2-CE 3.86Å; Y284-M327 HydrophobicContact CE2-CG 4.15Å; Y284-M330 HydrophobicContact CD2-CB 3.9Å; Y284-M330 HydrophobicContact CD2-CE 3.83Å; Y284-M330 HydrophobicContact CD2-SD 4.34Å; Y284-M330 HydrophobicContact CE2-CB 4.44Å; Y284-M330 HydrophobicContact CG-CE 4.48Å; Y284-D331 WeakPolarHBondContact CE2-OD1 3.19Å; Y284-D331 PolarHBondContact OH-OD1 3.31Å
285E88.1Confident85.3Confident60 Ų6044.8 Ų44.828%0.2822%0.217SC..Hα-helixtrans-60.3-42.2174.8-72.2178.5-167.500111.6R281 D282 F287 Q288 N289R281-E285 WeakPolarHBondContact O-CG 3.48Å; R281-E285 PolarHBondContact O-N 3.24Å; D282-E285 PolarHBondContact O-N 3.17Å; E285-F287 VanDerWaalsContact C-N 3.33Å; E285-F287 PolarHBondContact O-N 3.33Å; E285-Q288 WeakPolarHBondContact O-CB 3.26Å; E285-Q288 PolarHBondContact O-N 3.38Å; E285-N289 PolarHBondContact O-N 2.88Å; E285-N289 PolarHBondContact O-ND2 3.24Å
286Q86.3Confident85Confident54 Ų5442.1 Ų42.125%0.25220%0.204SC..Hα-helixtrans-61.7-40.4175.1-66.2-42.4-63.200112.1D282 M283 Y284 N289 I290D282-Q286 VanDerWaalsContact O-CG 3.32Å; D282-Q286 WeakPolarHBondContact O-CG 3.3Å; D282-Q286 PolarHBondContact O-N 3.17Å; M283-Q286 PolarHBondContact O-N 2.95Å; Y284-Q286 VanDerWaalsContact C-N 3.33Å; Y284-Q286 PolarHBondContact O-N 3.36Å; Q286-N289 PolarHBondContact O-N 3.45Å; Q286-I290 VanDerWaalsContact O-CG1 3.27Å; Q286-I290 WeakPolarHBondContact O-CG1 3.4Å; Q286-I290 PolarHBondContact O-N 3.25Å
287F89Confident84.6Confident12 Ų1243.2 Ų43.25%0.05321%0.21CC..Hα-helixtrans-65.3-40.3174.8-70.7-9000112.4M283 Y284 E285 N289 I290 M291 L323 L326 M327 M330M283-F287 HydrophobicContact CE-CE2 3.44Å; M283-F287 VanDerWaalsContact CE-CE2 3.44Å; M283-F287 HydrophobicContact CE-CZ 3.53Å; M283-F287 HydrophobicContact CG-CE1 4.35Å; M283-F287 HydrophobicContact CG-CE2 4.21Å; M283-F287 HydrophobicContact CG-CZ 4.05Å; M283-F287 PolarHBondContact O-N 3.32Å; M283-F287 HydrophobicContact SD-CZ 4.43Å; Y284-F287 PolarHBondContact O-N 2.95Å; E285-F287 VanDerWaalsContact C-N 3.33Å; E285-F287 PolarHBondContact O-N 3.33Å; F287-N289 VanDerWaalsContact C-N 3.33Å; F287-N289 PolarHBondContact O-N 3Å; F287-I290 HydrophobicContact CD1-CD1 4.4Å; F287-I290 PolarHBondContact O-N 3.28Å; F287-M291 WeakPolarHBondContact O-CG 3.44Å; F287-M291 PolarHBondContact O-N 3.27Å; F287-L323 HydrophobicContact CD1-CD2 4.02Å; F287-L323 HydrophobicContact CE1-CD2 3.97Å; F287-L323 HydrophobicContact CE2-CD2 4.48Å; F287-L323 HydrophobicContact CG-CD2 4.3Å; F287-L323 HydrophobicContact CZ-CD2 4.21Å; F287-L326 HydrophobicContact CD2-CB 4.4Å; F287-L326 HydrophobicContact CE2-CB 3.91Å; F287-L326 HydrophobicContact CE2-CD1 3.89Å; F287-L326 HydrophobicContact CZ-CD1 4.08Å; F287-M327 HydrophobicContact CB-CG 4Å; F287-M327 HydrophobicContact CB-SD 4Å; F287-M327 HydrophobicContact CD2-CG 4.17Å; F287-M330 HydrophobicContact CD2-CE 3.37Å; F287-M330 HydrophobicContact CE2-CE 3.65Å; F287-M330 HydrophobicContact CG-CE 4.48Å
288Q87Confident84.1Confident68 Ų6840.5 Ų40.532%0.31820%0.197SC..Hα-helixtrans-60.4-43.2173-74.6-163.8-12.900112.2Y284 E285 I290 M291 K292 M327Y284-Q288 HydrophobicContact CD1-CG 4.19Å; Y284-Q288 HydrophobicContact CE1-CG 3.95Å; Y284-Q288 PolarHBondContact O-N 2.86Å; E285-Q288 WeakPolarHBondContact O-CB 3.26Å; E285-Q288 PolarHBondContact O-N 3.38Å; Q288-I290 VanDerWaalsContact C-N 3.35Å; Q288-M291 PolarHBondContact O-N 3.31Å; Q288-K292 WeakPolarHBondContact O-CG 3.35Å; Q288-K292 PolarHBondContact O-N 3.43Å; Q288-M327 HydrophobicContact CG-CE 3.45Å; Q288-M327 VanDerWaalsContact CG-CE 3.45Å
289N84.6Confident83.7Confident23 Ų2340.7 Ų40.712%0.12320%0.199CC..Hα-helixtrans-65.1-40.4178.5-66.4-24.7000111.3L261 L263 E285 Q286 F287 M291 K292 M293L261-N289 HydrophobicContact CD1-CB 4.45Å; L263-N289 HydrophobicContact CD2-CB 4.19Å; L263-N289 WeakPolarHBondContact CD2-ND2 3.34Å; E285-N289 PolarHBondContact O-N 2.88Å; E285-N289 PolarHBondContact O-ND2 3.24Å; Q286-N289 PolarHBondContact O-N 3.45Å; F287-N289 VanDerWaalsContact C-N 3.33Å; F287-N289 PolarHBondContact O-N 3Å; N289-M291 PolarHBondContact O-N 3.29Å; N289-K292 PolarHBondContact O-N 3.48Å; N289-K292 VanDerWaalsContact O-N 3.17Å; N289-M293 WeakPolarHBondContact O-CG 3.42Å; N289-M293 PolarHBondContact O-N 2.96Å; N289-M293 VanDerWaalsContact O-N 3.12Å
290I83.6Confident83.1Confident50 Ų5041 Ų4126%0.25620%0.2SC..Hα-helixtrans-60.5-44.4173.5-68.6165.2000111.3Q286 F287 Q288 K292 M293 L323Q286-I290 VanDerWaalsContact O-CG1 3.27Å; Q286-I290 WeakPolarHBondContact O-CG1 3.4Å; Q286-I290 PolarHBondContact O-N 3.25Å; F287-I290 HydrophobicContact CD1-CD1 4.4Å; F287-I290 PolarHBondContact O-N 3.28Å; Q288-I290 VanDerWaalsContact C-N 3.35Å; I290-K292 VanDerWaalsContact C-N 3.26Å; I290-K292 PolarHBondContact O-N 3.34Å; I290-M293 HydrophobicContact CB-CE 4.17Å; I290-M293 HydrophobicContact CG1-CE 3.7Å; I290-M293 PolarHBondContact O-N 2.88Å; I290-L323 HydrophobicContact CG2-CD1 4.09Å
291M81.6Confident82.4Confident78 Ų7841.4 Ų41.438%0.38420%0.204SC..Hα-helixtrans-63.6-32.2176.4-71.1-175.569.700112.8F287 Q288 N289 M327F287-M291 WeakPolarHBondContact O-CG 3.44Å; F287-M291 PolarHBondContact O-N 3.27Å; Q288-M291 PolarHBondContact O-N 3.31Å; N289-M291 PolarHBondContact O-N 3.29Å; M291-M327 HydrophobicContact SD-CE 4.3Å; M291-M327 HydrophobicContact SD-SD 3.33Å
292K80.4Confident81.7Confident124 Ų12438.2 Ų38.254%0.53919%0.192SC..Hα-helixtrans-72.7-27.4176.8-72.8172.3-176171.50113.4L261 Q288 N289 I290 G294L261-K292 HydrophobicContact CD2-CB 3.85Å; Q288-K292 WeakPolarHBondContact O-CG 3.35Å; Q288-K292 PolarHBondContact O-N 3.43Å; N289-K292 PolarHBondContact O-N 3.48Å; N289-K292 VanDerWaalsContact O-N 3.17Å; I290-K292 VanDerWaalsContact C-N 3.26Å; I290-K292 PolarHBondContact O-N 3.34Å; K292-G294 PolarHBondContact O-N 2.96Å
293M75.5Confident81.2Confident40 Ų4039.6 Ų39.620%0.19720%0.199CC..THydrogen-bonded Turntrans-66.5-16.3179.1-72.2-168.3-8600113.9K257 L261 N289 I290 I299K257-M293 PolarHBondContact NZ-O 3.43Å; L261-M293 HydrophobicContact CD1-CE 4.18Å; L261-M293 HydrophobicContact CD1-CG 3.28Å; L261-M293 HydrophobicContact CD1-SD 3.52Å; L261-M293 VanDerWaalsContact CD1-SD 3.52Å; L261-M293 HydrophobicContact CD2-CG 3.91Å; L261-M293 HydrophobicContact CG-CG 3.87Å; N289-M293 WeakPolarHBondContact O-CG 3.42Å; N289-M293 PolarHBondContact O-N 2.96Å; N289-M293 VanDerWaalsContact O-N 3.12Å; I290-M293 HydrophobicContact CB-CE 4.17Å; I290-M293 HydrophobicContact CG1-CE 3.7Å; I290-M293 PolarHBondContact O-N 2.88Å; M293-I299 HydrophobicContact CB-CD1 3.67Å; M293-I299 HydrophobicContact CE-CD1 4.38Å; M293-I299 HydrophobicContact CG-CD1 4.49Å; M293-I299 HydrophobicContact SD-CD1 4.12Å
294G73.5Confident80.3Confident22 Ų2240.5 Ų40.523%0.22721%0.206CC..  trans93.1-158.2-179.300000113K292 F296K292-G294 PolarHBondContact O-N 2.96Å; G294-F296 PolarHBondContact O-N 2.91Å
295P74.3Confident79.4Confident33 Ų3339.9 Ų39.921%0.21422%0.215CC..  trans-57.4134.1-176.3-25.335.3000112.7S297 Q298 I299 E316P295-S297 VanDerWaalsContact C-N 3.3Å; P295-S297 PolarHBondContact O-N 3.03Å; P295-Q298 HydrophobicContact CB-CB 4.38Å; P295-Q298 WeakPolarHBondContact O-CB 3.45Å; P295-Q298 PolarHBondContact O-N 3.43Å; P295-I299 PolarHBondContact O-N 3.26Å; P295-E316 WeakPolarHBondContact CA-OE1 3.34Å; P295-E316 WeakPolarHBondContact CB-OE1 3.35Å
296F76.8Confident78.5Confident72 Ų7238 Ų3832%0.31621%0.206SC..Hα-helixtrans-64.5-33.4177-165.1-112.3000112.4G294 Q298 I299 L300 M311 E316 M320G294-F296 PolarHBondContact O-N 2.91Å; F296-Q298 VanDerWaalsContact C-N 3.25Å; F296-Q298 PolarHBondContact O-N 3.5Å; F296-I299 PolarHBondContact O-N 2.84Å; F296-L300 HydrophobicContact CD1-CD1 3.65Å; F296-L300 HydrophobicContact CD1-CG 3.9Å; F296-L300 HydrophobicContact CE1-CD1 3.41Å; F296-L300 VanDerWaalsContact CE1-CD1 3.41Å; F296-L300 HydrophobicContact CE1-CD2 4Å; F296-L300 HydrophobicContact CE1-CG 3.66Å; F296-L300 HydrophobicContact CZ-CD1 4.28Å; F296-L300 HydrophobicContact CZ-CD2 4.03Å; F296-L300 HydrophobicContact CZ-CG 4.1Å; F296-L300 PolarHBondContact O-N 3.28Å; F296-M311 HydrophobicContact CD1-CE 4.25Å; F296-E316 WeakPolarHBondContact CA-OE1 3.38Å; F296-E316 HydrophobicContact CB-CG 4.41Å; F296-E316 PolarHBondContact N-OE1 3.21Å; F296-M320 HydrophobicContact CB-CE 3.88Å
297S74.4Confident77.3Confident34 Ų3437.5 Ų37.524%0.23822%0.215CC..Hα-helixtrans-59.4-38.917553.30000111.6P295 G301 E316P295-S297 VanDerWaalsContact C-N 3.3Å; P295-S297 PolarHBondContact O-N 3.03Å; S297-G301 PolarHBondContact O-N 3.4Å; S297-E316 WeakPolarHBondContact CB-OE2 3.17Å; S297-E316 PolarHBondContact N-OE1 3.31Å; S297-E316 VanDerWaalsContact OG-CD 3.22Å; S297-E316 PolarHBondContact OG-OE1 3.25Å; S297-E316 VanDerWaalsContact OG-OE1 3.07Å; S297-E316 PolarHBondContact OG-OE2 3.27Å
298Q74.1Confident76Confident27 Ų2741.2 Ų41.213%0.12624%0.239CC..Hα-helixtrans-66.3-42177.3-163.7-173.714.500111.6E234 P295 F296 M302E234-Q298 WeakPolarHBondContact OE2-CG 3.22Å; E234-Q298 PolarHBondContact OE2-NE2 2.94Å; P295-Q298 HydrophobicContact CB-CB 4.38Å; P295-Q298 WeakPolarHBondContact O-CB 3.45Å; P295-Q298 PolarHBondContact O-N 3.43Å; F296-Q298 VanDerWaalsContact C-N 3.25Å; F296-Q298 PolarHBondContact O-N 3.5Å; Q298-M302 HydrophobicContact CG-CE 4.29Å; Q298-M302 VanDerWaalsContact O-CG 3.3Å; Q298-M302 WeakPolarHBondContact O-CG 3.45Å; Q298-M302 PolarHBondContact O-N 3.06Å
299I80.5Confident74.9Confident18 Ų1845 Ų459%0.09226%0.262CS..Hα-helixtrans-65.9-47.4177.7-59.8172.8000110.2L254 M293 P295 F296 G301 M302L254-I299 HydrophobicContact CD1-CG2 4.01Å; M293-I299 HydrophobicContact CB-CD1 3.67Å; M293-I299 HydrophobicContact CE-CD1 4.38Å; M293-I299 HydrophobicContact CG-CD1 4.49Å; M293-I299 HydrophobicContact SD-CD1 4.12Å; P295-I299 PolarHBondContact O-N 3.26Å; F296-I299 PolarHBondContact O-N 2.84Å; I299-G301 PolarHBondContact O-N 3.4Å; I299-M302 WeakPolarHBondContact O-CB 3.41Å; I299-M302 PolarHBondContact O-N 2.76Å; I299-M302 VanDerWaalsContact O-N 3.16Å
300L78.4Confident74Confident17 Ų1747.9 Ų47.99%0.08927%0.273CS..Hα-helixtrans-63-41.4178.1-73.3-176.5000112.2F296 M302 I303 F306 F310 M311F296-L300 HydrophobicContact CD1-CD1 3.65Å; F296-L300 HydrophobicContact CD1-CG 3.9Å; F296-L300 HydrophobicContact CE1-CD1 3.41Å; F296-L300 VanDerWaalsContact CE1-CD1 3.41Å; F296-L300 HydrophobicContact CE1-CD2 4Å; F296-L300 HydrophobicContact CE1-CG 3.66Å; F296-L300 HydrophobicContact CZ-CD1 4.28Å; F296-L300 HydrophobicContact CZ-CD2 4.03Å; F296-L300 HydrophobicContact CZ-CG 4.1Å; F296-L300 PolarHBondContact O-N 3.28Å; L300-M302 PolarHBondContact O-N 3Å; L300-I303 HydrophobicContact CD2-CD1 4.5Å; L300-I303 PolarHBondContact O-N 3.26Å; L300-F306 HydrophobicContact CB-CB 4.39Å; L300-F306 HydrophobicContact CD2-CG 4.41Å; L300-F306 WeakPolarHBondContact O-CB 3.49Å; L300-F310 HydrophobicContact CD1-CD1 4.22Å; L300-M311 HydrophobicContact CD1-CG 3.49Å; L300-M311 VanDerWaalsContact CD1-CG 3.49Å
301G77.3Confident73Confident7 Ų747.2 Ų47.27%0.07227%0.269CS..Hα-helixtrans-66-15.6176.900000114.1S297 I299S297-G301 PolarHBondContact O-N 3.4Å; I299-G301 PolarHBondContact O-N 3.4Å
302M77.9Confident72.2Confident9 Ų946.4 Ų46.44%0.04427%0.271CS..Hα-helixtrans-81.6-19.8169.6-69.5169.5168.900112.4D250 L254 K257 Q298 I299 L300D250-M302 CarbonylContact C-O 3.45Å; D250-M302 HydrophobicContact CB-CB 4.34Å; D250-M302 HydrophobicContact CB-CG 4.15Å; D250-M302 PolarHBondContact N-O 3.36Å; L254-M302 HydrophobicContact CB-CB 4.13Å; L254-M302 HydrophobicContact CB-SD 4.18Å; L254-M302 HydrophobicContact CD1-SD 4.46Å; K257-M302 HydrophobicContact CD-CE 4.07Å; K257-M302 HydrophobicContact CD-SD 4.13Å; Q298-M302 HydrophobicContact CG-CE 4.29Å; Q298-M302 VanDerWaalsContact O-CG 3.3Å; Q298-M302 WeakPolarHBondContact O-CG 3.45Å; Q298-M302 PolarHBondContact O-N 3.06Å; I299-M302 WeakPolarHBondContact O-CB 3.41Å; I299-M302 PolarHBondContact O-N 2.76Å; I299-M302 VanDerWaalsContact O-N 3.16Å; L300-M302 PolarHBondContact O-N 3Å
303I79.5Confident71.5Confident29 Ų2945.1 Ų45.115%0.14927%0.266CS..SBendtrans-88.3121.4-178-60.7175000110L254 L300 G305 F306 M434L254-I303 HydrophobicContact CD2-CG1 3.87Å; L300-I303 HydrophobicContact CD2-CD1 4.5Å; L300-I303 PolarHBondContact O-N 3.26Å; I303-G305 PolarHBondContact O-N 3.3Å; I303-F306 HydrophobicContact CB-CD2 4.08Å; I303-F306 HydrophobicContact CG2-CD2 3.72Å; I303-F306 HydrophobicContact CG2-CE2 4.2Å; I303-F306 PolarHBondContact O-N 3.19Å; I303-M434 HydrophobicContact CG2-CE 3.24Å; I303-M434 HydrophobicContact CG2-SD 3.61Å
304P72.7Confident71.1Confident22 Ų2245.4 Ų45.414%0.14328%0.279CS..THydrogen-bonded Turntrans-56.9135.4176.8-20.129.3000111.8M248 I251 F306 M434M248-P304 WeakPolarHBondContact O-CG 3.43Å; I251-P304 VanDerWaalsContact CD1-CD 3.45Å; I251-P304 HydrophobicContact CD1-CG 3.89Å; I251-P304 HydrophobicContact CG1-CG 4.17Å; P304-F306 VanDerWaalsContact C-N 3.34Å; P304-M434 WeakPolarHBondContact O-CE 3.43Å
305G71.2Confident71.2Confident39 Ų3948.2 Ų48.240%0.40229%0.289SS..THydrogen-bonded Turntrans92.5-20-17800000114.4I303I303-G305 PolarHBondContact O-N 3.3Å
306F69.6Low71.3Confident19 Ų1947.6 Ų47.68%0.08328%0.283CS..  trans-95.3110.2165.3-67.5-81.9000108.7L300 I303 P304 F310 V421 M425L300-F306 HydrophobicContact CB-CB 4.39Å; L300-F306 HydrophobicContact CD2-CG 4.41Å; L300-F306 WeakPolarHBondContact O-CB 3.49Å; I303-F306 HydrophobicContact CB-CD2 4.08Å; I303-F306 HydrophobicContact CG2-CD2 3.72Å; I303-F306 HydrophobicContact CG2-CE2 4.2Å; I303-F306 PolarHBondContact O-N 3.19Å; P304-F306 VanDerWaalsContact C-N 3.34Å; F306-F310 HydrophobicContact CD1-CB 4.39Å; F306-F310 AromaticContact CD1-CD1 3.85Å; F306-F310 HydrophobicContact CD1-CD1 3.85Å; F306-F310 HydrophobicContact CD1-CD2 4.31Å; F306-F310 HydrophobicContact CD1-CE1 4.22Å; F306-F310 AromaticContact CD1-CG 3.91Å; F306-F310 HydrophobicContact CD1-CG 3.91Å; F306-F310 HydrophobicContact CE1-CD1 4.17Å; F306-F310 HydrophobicContact CE1-CE1 4.07Å; F306-F310 HydrophobicContact CE1-CG 4.47Å; F306-F310 HydrophobicContact CE1-CZ 4.26Å; F306-V421 HydrophobicContact CE1-CG1 3.84Å; F306-V421 HydrophobicContact CZ-CG1 3.51Å; F306-M425 HydrophobicContact CD2-CG 4.27Å; F306-M425 HydrophobicContact CE2-CE 4.1Å; F306-M425 HydrophobicContact CE2-CG 3.34Å; F306-M425 HydrophobicContact CE2-SD 3.67Å; F306-M425 HydrophobicContact CZ-CG 3.51Å; F306-M425 HydrophobicContact CZ-SD 3.76Å
307G62.3Low71.2Confident44 Ų4449.8 Ų49.845%0.45429%0.294SS..  trans-68.7157.2167.200000110.3D309 F310G307-D309 PolarHBondContact O-N 2.82Å; G307-F310 WeakPolarHBondContact O-CB 3.38Å; G307-F310 PolarHBondContact O-N 2.71Å; G307-F310 VanDerWaalsContact O-N 3.1Å
308T60.3Low71.6Confident91 Ų9154.9 Ų54.956%0.55831%0.314SS*.G310 helixtrans-54.1-23.9169.146.90000112.5
309D63.8Low71.9Confident148 Ų14855.8 Ų55.879%0.79132%0.324SS*.G310 helixtrans-84.4-5.7-176.3-53.1-19.6000113.6G307 M311G307-D309 PolarHBondContact O-N 2.82Å; D309-M311 PolarHBondContact O-N 3.14Å
310F66Low72.1Confident82 Ų8257 Ų5736%0.3633%0.329SS..G310 helixtrans-64.7-30.3-179.8-174.4-100.5000112.3L300 F306 G307 V421L300-F310 HydrophobicContact CD1-CD1 4.22Å; F306-F310 HydrophobicContact CD1-CB 4.39Å; F306-F310 AromaticContact CD1-CD1 3.85Å; F306-F310 HydrophobicContact CD1-CD1 3.85Å; F306-F310 HydrophobicContact CD1-CD2 4.31Å; F306-F310 HydrophobicContact CD1-CE1 4.22Å; F306-F310 AromaticContact CD1-CG 3.91Å; F306-F310 HydrophobicContact CD1-CG 3.91Å; F306-F310 HydrophobicContact CE1-CD1 4.17Å; F306-F310 HydrophobicContact CE1-CE1 4.07Å; F306-F310 HydrophobicContact CE1-CG 4.47Å; F306-F310 HydrophobicContact CE1-CZ 4.26Å; G307-F310 WeakPolarHBondContact O-CB 3.38Å; G307-F310 PolarHBondContact O-N 2.71Å; G307-F310 VanDerWaalsContact O-N 3.1Å; F310-V421 HydrophobicContact CZ-CG2 4.06Å
311M63.2Low72.4Confident36 Ų3659 Ų5918%0.17735%0.349CS..SBendtrans-116.8122.2174.5-67.5-70.2-79.500109.2F296 L300 D309 N315F296-M311 HydrophobicContact CD1-CE 4.25Å; L300-M311 HydrophobicContact CD1-CG 3.49Å; L300-M311 VanDerWaalsContact CD1-CG 3.49Å; D309-M311 PolarHBondContact O-N 3.14Å; M311-N315 HydrophobicContact CE-CB 4.2Å
312S65.8Low72.9Confident61 Ų6165 Ų6543%0.42737%0.369SS..  trans-68144.7164.766.30000109.1G314 N315 E316S312-G314 PolarHBondContact O-N 3.2Å; S312-G314 VanDerWaalsContact O-N 3.08Å; S312-N315 PolarHBondContact O-N 3.43Å; S312-N315 PolarHBondContact OG-N 3.32Å; S312-N315 PolarHBondContact OG-ND2 3.5Å; S312-N315 PolarHBondContact OG-OD1 3Å; S312-E316 PolarHBondContact O-N 3.21Å
313K65.4Low73.4Confident98 Ų9866.1 Ų66.143%0.42638%0.375SS..Hα-helixtrans-51.8-33176.4-75.5-169.9171-162.10112.9D202 T226 E316 Q317D202-K313 VanDerWaalsContact CG-NZ 3.33Å; D202-K313 IonicContact OD2-NZ 3.72Å; D202-K313 PolarHBondContact OD2-NZ 3.41Å; T226-K313 PolarHBondContact O-NZ 2.98Å; K313-E316 PolarHBondContact O-N 3.08Å; K313-Q317 PolarHBondContact O-N 3.22Å
314G67.1Low73.9Confident46 Ų4671 Ų7147%0.47440%0.395SS..Hα-helixtrans-63.1-45.7175.600000113.1S312 E316 Q317 E318S312-G314 PolarHBondContact O-N 3.2Å; S312-G314 VanDerWaalsContact O-N 3.08Å; G314-E316 VanDerWaalsContact C-N 3.26Å; G314-E316 PolarHBondContact O-N 3.43Å; G314-Q317 PolarHBondContact O-N 2.95Å; G314-E318 PolarHBondContact O-N 3.12Å
315N75Confident74.9Confident81 Ų8174.3 Ų74.343%0.43341%0.407SS..Hα-helixtrans-66.8-30.6179-65.4-0.9000111.9M311 S312 S319M311-N315 HydrophobicContact CE-CB 4.2Å; S312-N315 PolarHBondContact O-N 3.43Å; S312-N315 PolarHBondContact OG-N 3.32Å; S312-N315 PolarHBondContact OG-ND2 3.5Å; S312-N315 PolarHBondContact OG-OD1 3Å; N315-S319 WeakPolarHBondContact O-CB 3.35Å; N315-S319 PolarHBondContact O-N 3.27Å; N315-S319 PolarHBondContact O-OG 2.97Å
316E75.3Confident75.9Confident19 Ų1973.1 Ų73.19%0.08939%0.392CS..Hα-helixtrans-67.2-48.8176.9175.6172.6-153.600112.3P295 F296 S297 S312 K313 G314 E318 S319 M320P295-E316 WeakPolarHBondContact CA-OE1 3.34Å; P295-E316 WeakPolarHBondContact CB-OE1 3.35Å; F296-E316 WeakPolarHBondContact CA-OE1 3.38Å; F296-E316 HydrophobicContact CB-CG 4.41Å; F296-E316 PolarHBondContact N-OE1 3.21Å; S297-E316 WeakPolarHBondContact CB-OE2 3.17Å; S297-E316 PolarHBondContact N-OE1 3.31Å; S297-E316 VanDerWaalsContact OG-CD 3.22Å; S297-E316 PolarHBondContact OG-OE1 3.25Å; S297-E316 VanDerWaalsContact OG-OE1 3.07Å; S297-E316 PolarHBondContact OG-OE2 3.27Å; S312-E316 PolarHBondContact O-N 3.21Å; K313-E316 PolarHBondContact O-N 3.08Å; G314-E316 VanDerWaalsContact C-N 3.26Å; G314-E316 PolarHBondContact O-N 3.43Å; E316-E318 VanDerWaalsContact C-N 3.28Å; E316-E318 PolarHBondContact O-N 3.08Å; E316-S319 WeakPolarHBondContact O-CB 3.32Å; E316-S319 PolarHBondContact O-N 2.66Å; E316-S319 VanDerWaalsContact O-N 3.12Å; E316-M320 PolarHBondContact O-N 3.47Å
317Q76.1Confident77Confident119 Ų11973.1 Ų73.156%0.55639%0.392SS*.Hα-helixtrans-60.5-41.1177.9-71.5-176.5-10.900111.3K313 G314 M320 A321K313-Q317 PolarHBondContact O-N 3.22Å; G314-Q317 PolarHBondContact O-N 2.95Å; Q317-M320 PolarHBondContact O-N 3.11Å; Q317-A321 WeakPolarHBondContact O-CB 3.5Å; Q317-A321 PolarHBondContact O-N 3.26Å
318E81.3Confident78.6Confident140 Ų14074 Ų7465%0.65439%0.389SS*.Hα-helixtrans-63.2-41.3174.5-169.3-178.3178.700111.9G314 E316 M320 A321 R322G314-E318 PolarHBondContact O-N 3.12Å; E316-E318 VanDerWaalsContact C-N 3.28Å; E316-E318 PolarHBondContact O-N 3.08Å; E318-M320 PolarHBondContact O-N 3.49Å; E318-A321 PolarHBondContact O-N 2.9Å; E318-R322 WeakPolarHBondContact O-CB 3.34Å; E318-R322 PolarHBondContact O-N 3.06Å
319S82.2Confident80.2Confident47 Ų4769.8 Ų69.833%0.32936%0.363SS..Hα-helixtrans-63.3-42.3177.2-62.30000112N315 E316 R322 L323N315-S319 WeakPolarHBondContact O-CB 3.35Å; N315-S319 PolarHBondContact O-N 3.27Å; N315-S319 PolarHBondContact O-OG 2.97Å; E316-S319 WeakPolarHBondContact O-CB 3.32Å; E316-S319 PolarHBondContact O-N 2.66Å; E316-S319 VanDerWaalsContact O-N 3.12Å; S319-R322 PolarHBondContact O-N 3.03Å; S319-L323 PolarHBondContact O-N 3.35Å
320M83Confident81.7Confident42 Ų4262.8 Ų62.821%0.20733%0.326CS..Hα-helixtrans-67.2-40.7175.2-75-63.7141.700112.1F296 E316 Q317 E318 R322 L323 K324F296-M320 HydrophobicContact CB-CE 3.88Å; E316-M320 PolarHBondContact O-N 3.47Å; Q317-M320 PolarHBondContact O-N 3.11Å; E318-M320 PolarHBondContact O-N 3.49Å; M320-R322 VanDerWaalsContact C-N 3.29Å; M320-R322 PolarHBondContact O-N 3.29Å; M320-L323 HydrophobicContact CE-CD1 3.96Å; M320-L323 PolarHBondContact O-N 3.48Å; M320-L323 HydrophobicContact SD-CD1 4.16Å; M320-K324 WeakPolarHBondContact O-CB 3.38Å; M320-K324 PolarHBondContact O-N 3.15Å
321A86.4Confident83.1Confident60 Ų6063.5 Ų63.550%0.49633%0.333SS..Hα-helixtrans-61.4-39.1173.800000111.6Q317 E318 K324 K325Q317-A321 WeakPolarHBondContact O-CB 3.5Å; Q317-A321 PolarHBondContact O-N 3.26Å; E318-A321 PolarHBondContact O-N 2.9Å; A321-K324 PolarHBondContact O-N 2.91Å; A321-K325 WeakPolarHBondContact O-CB 3.4Å; A321-K325 PolarHBondContact O-N 3.45Å
322R87.2Confident84.7Confident133 Ų13363.1 Ų63.150%0.50233%0.334SS..Hα-helixtrans-66-44175.3-171.5177.4-178.2-175.91112.3E318 S319 M320 K324 K325 L326 E370E318-R322 WeakPolarHBondContact O-CB 3.34Å; E318-R322 PolarHBondContact O-N 3.06Å; S319-R322 PolarHBondContact O-N 3.03Å; M320-R322 VanDerWaalsContact C-N 3.29Å; M320-R322 PolarHBondContact O-N 3.29Å; R322-K324 VanDerWaalsContact C-N 3.34Å; R322-K324 PolarHBondContact O-N 2.93Å; R322-K325 WeakPolarHBondContact O-CB 3.38Å; R322-K325 PolarHBondContact O-N 2.96Å; R322-L326 WeakPolarHBondContact O-CG 3.18Å; R322-L326 PolarHBondContact O-N 3.47Å; R322-E370 IonicContact CZ-OE1 3.99Å; R322-E370 IonicContact NH2-OE1 3.03Å; R322-E370 PolarHBondContact NH2-OE1 3.47Å
323L87.9Confident86.1Confident32 Ų3261 Ų6117%0.16832%0.317CS..Hα-helixtrans-59.8-44.8174.3-77173.4000111.5F287 I290 S319 M320 K325 L326 M327F287-L323 HydrophobicContact CD1-CD2 4.02Å; F287-L323 HydrophobicContact CE1-CD2 3.97Å; F287-L323 HydrophobicContact CE2-CD2 4.48Å; F287-L323 HydrophobicContact CG-CD2 4.3Å; F287-L323 HydrophobicContact CZ-CD2 4.21Å; I290-L323 HydrophobicContact CG2-CD1 4.09Å; S319-L323 PolarHBondContact O-N 3.35Å; M320-L323 HydrophobicContact CE-CD1 3.96Å; M320-L323 PolarHBondContact O-N 3.48Å; M320-L323 HydrophobicContact SD-CD1 4.16Å; L323-K325 VanDerWaalsContact C-N 3.32Å; L323-K325 PolarHBondContact O-N 2.96Å; L323-L326 HydrophobicContact CD2-CD1 4.48Å; L323-L326 WeakPolarHBondContact O-CB 3.09Å; L323-L326 PolarHBondContact O-N 3.32Å; L323-L326 VanDerWaalsContact O-N 3.15Å; L323-M327 PolarHBondContact O-N 3.39Å
324K90.4Very high87.5Confident131 Ų13159 Ų5957%0.5731%0.311SS*.Hα-helixtrans-60.6-42.1175.6-166.2174.6-169.7175.70111.6M320 A321 R322 L326 M327 T328M320-K324 WeakPolarHBondContact O-CB 3.38Å; M320-K324 PolarHBondContact O-N 3.15Å; A321-K324 PolarHBondContact O-N 2.91Å; R322-K324 VanDerWaalsContact C-N 3.34Å; R322-K324 PolarHBondContact O-N 2.93Å; K324-L326 PolarHBondContact O-N 3.17Å; K324-M327 WeakPolarHBondContact O-CB 3.36Å; K324-M327 PolarHBondContact O-N 3.48Å; K324-T328 PolarHBondContact O-N 2.97Å; K324-T328 PolarHBondContact O-OG1 3.31Å; K324-T328 VanDerWaalsContact O-OG1 3.11Å
325K92.5Very high88.8Confident92 Ų9261.8 Ų61.840%0.432%0.316SS..Hα-helixtrans-59.4-44.4173.6-175.1-179.4176.3-173.40111.5A321 R322 L323 M327 T328 I329 V363 D367A321-K325 WeakPolarHBondContact O-CB 3.4Å; A321-K325 PolarHBondContact O-N 3.45Å; R322-K325 WeakPolarHBondContact O-CB 3.38Å; R322-K325 PolarHBondContact O-N 2.96Å; L323-K325 VanDerWaalsContact C-N 3.32Å; L323-K325 PolarHBondContact O-N 2.96Å; K325-M327 VanDerWaalsContact C-N 3.3Å; K325-M327 PolarHBondContact O-N 3.23Å; K325-T328 PolarHBondContact O-N 3.12Å; K325-I329 HydrophobicContact CG-CD1 4.47Å; K325-I329 WeakPolarHBondContact O-CG1 3.49Å; K325-I329 PolarHBondContact O-N 3.35Å; K325-V363 HydrophobicContact CG-CG1 4.48Å; K325-D367 WeakPolarHBondContact CE-OD2 3.2Å; K325-D367 IonicContact NZ-OD1 2.77Å; K325-D367 IonicContact NZ-OD2 2.76Å; K325-D367 PolarHBondContact NZ-OD2 2.9Å
326L92.9Very high89.7Confident15 Ų1564.2 Ų64.28%0.07932%0.324CS..Hα-helixtrans-61.1-39.1176.9-67.6173.6000112.1F287 R322 L323 K324 I329 M330 L371F287-L326 HydrophobicContact CD2-CB 4.4Å; F287-L326 HydrophobicContact CE2-CB 3.91Å; F287-L326 HydrophobicContact CE2-CD1 3.89Å; F287-L326 HydrophobicContact CZ-CD1 4.08Å; R322-L326 WeakPolarHBondContact O-CG 3.18Å; R322-L326 PolarHBondContact O-N 3.47Å; L323-L326 HydrophobicContact CD2-CD1 4.48Å; L323-L326 WeakPolarHBondContact O-CB 3.09Å; L323-L326 PolarHBondContact O-N 3.32Å; L323-L326 VanDerWaalsContact O-N 3.15Å; K324-L326 PolarHBondContact O-N 3.17Å; L326-I329 WeakPolarHBondContact O-CB 3.46Å; L326-I329 PolarHBondContact O-N 3.01Å; L326-M330 PolarHBondContact O-N 3.42Å; L326-M330 VanDerWaalsContact O-N 3.08Å; L326-L371 HydrophobicContact CB-CD1 4.24Å; L326-L371 HydrophobicContact CD2-CB 4.04Å; L326-L371 HydrophobicContact CD2-CD1 3.86Å; L326-L371 HydrophobicContact CD2-CG 4.1Å
327M92.9Very high90.6Very high19 Ų1963.3 Ų63.39%0.09432%0.32CS..Hα-helixtrans-63.5-45.4173.9-69.5177.562.700111.9Y284 F287 Q288 M291 L323 K324 K325 I329 M330 D331Y284-M327 HydrophobicContact CD2-CB 4.44Å; Y284-M327 HydrophobicContact CD2-CG 4.32Å; Y284-M327 HydrophobicContact CE1-CE 4.28Å; Y284-M327 HydrophobicContact CE2-CB 3.93Å; Y284-M327 HydrophobicContact CE2-CE 3.86Å; Y284-M327 HydrophobicContact CE2-CG 4.15Å; F287-M327 HydrophobicContact CB-CG 4Å; F287-M327 HydrophobicContact CB-SD 4Å; F287-M327 HydrophobicContact CD2-CG 4.17Å; Q288-M327 HydrophobicContact CG-CE 3.45Å; Q288-M327 VanDerWaalsContact CG-CE 3.45Å; M291-M327 HydrophobicContact SD-CE 4.3Å; M291-M327 HydrophobicContact SD-SD 3.33Å; L323-M327 PolarHBondContact O-N 3.39Å; K324-M327 WeakPolarHBondContact O-CB 3.36Å; K324-M327 PolarHBondContact O-N 3.48Å; K325-M327 VanDerWaalsContact C-N 3.3Å; K325-M327 PolarHBondContact O-N 3.23Å; M327-I329 PolarHBondContact O-N 3.22Å; M327-M330 HydrophobicContact CG-CE 4.27Å; M327-M330 CarbonylContact O-C 3.52Å; M327-M330 WeakPolarHBondContact O-CA 3.23Å; M327-M330 WeakPolarHBondContact O-CB 3.34Å; M327-M330 PolarHBondContact O-N 2.83Å; M327-D331 PolarHBondContact O-N 3.34Å
328T95.1Very high91.4Very high63 Ų6358.5 Ų58.539%0.38730%0.298SS..Hα-helixtrans-59.1-33.8175.2-54.90000112.7K324 K325 D331K324-T328 PolarHBondContact O-N 2.97Å; K324-T328 PolarHBondContact O-OG1 3.31Å; K324-T328 VanDerWaalsContact O-OG1 3.11Å; K325-T328 PolarHBondContact O-N 3.12Å; T328-D331 WeakPolarHBondContact CA-OD2 3.5Å
329I95.7Very high91.9Very high2 Ų255.4 Ų55.41%0.0129%0.286CS..Hα-helixtrans-65.5-44.8172.4-64171.4000110.8K325 L326 M327 D331 S332 M333 V357 V363 D367 V368 L371K325-I329 HydrophobicContact CG-CD1 4.47Å; K325-I329 WeakPolarHBondContact O-CG1 3.49Å; K325-I329 PolarHBondContact O-N 3.35Å; L326-I329 WeakPolarHBondContact O-CB 3.46Å; L326-I329 PolarHBondContact O-N 3.01Å; M327-I329 PolarHBondContact O-N 3.22Å; I329-D331 VanDerWaalsContact C-N 3.33Å; I329-D331 PolarHBondContact O-N 2.78Å; I329-S332 WeakPolarHBondContact O-CB 3.27Å; I329-S332 PolarHBondContact O-N 3.25Å; I329-M333 HydrophobicContact CG2-CE 4.39Å; I329-V357 HydrophobicContact CG2-CG1 3.65Å; I329-V357 WeakPolarHBondContact O-CG1 3.43Å; I329-V363 HydrophobicContact CD1-CB 4.44Å; I329-V363 HydrophobicContact CD1-CG1 4.1Å; I329-V363 HydrophobicContact CD1-CG2 4.02Å; I329-V363 HydrophobicContact CG1-CB 4.46Å; I329-V363 HydrophobicContact CG1-CG1 3.87Å; I329-V363 HydrophobicContact CG1-CG2 3.93Å; I329-D367 HydrophobicContact CD1-CB 4.07Å; I329-V368 HydrophobicContact CG2-CG2 4.15Å; I329-L371 HydrophobicContact CB-CD1 3.9Å; I329-L371 HydrophobicContact CG2-CD1 3.75Å
330M94.3Very high92.3Very high1 Ų154.3 Ų54.31%0.00528%0.278CS..Hα-helixtrans-67.6-31.4178.3-69.6-174.1-74.600112.9M283 Y284 F287 L326 M327 S332 M333 L371M283-M330 HydrophobicContact CE-CE 4.29Å; M283-M330 HydrophobicContact CE-SD 4.07Å; Y284-M330 HydrophobicContact CD2-CB 3.9Å; Y284-M330 HydrophobicContact CD2-CE 3.83Å; Y284-M330 HydrophobicContact CD2-SD 4.34Å; Y284-M330 HydrophobicContact CE2-CB 4.44Å; Y284-M330 HydrophobicContact CG-CE 4.48Å; F287-M330 HydrophobicContact CD2-CE 3.37Å; F287-M330 HydrophobicContact CE2-CE 3.65Å; F287-M330 HydrophobicContact CG-CE 4.48Å; L326-M330 PolarHBondContact O-N 3.42Å; L326-M330 VanDerWaalsContact O-N 3.08Å; M327-M330 HydrophobicContact CG-CE 4.27Å; M327-M330 CarbonylContact O-C 3.52Å; M327-M330 WeakPolarHBondContact O-CA 3.23Å; M327-M330 WeakPolarHBondContact O-CB 3.34Å; M327-M330 PolarHBondContact O-N 2.83Å; M330-S332 PolarHBondContact O-N 3.44Å; M330-S332 VanDerWaalsContact O-N 3.09Å; M330-M333 HydrophobicContact CG-CE 4.31Å; M330-M333 HydrophobicContact CG-SD 4.43Å; M330-M333 VanDerWaalsContact O-CB 3.31Å; M330-M333 WeakPolarHBondContact O-CB 3.18Å; M330-M333 PolarHBondContact O-N 3.31Å; M330-L371 HydrophobicContact CG-CD1 3.77Å; M330-L371 HydrophobicContact CG-CD2 4.39Å; M330-L371 HydrophobicContact SD-CD1 4.48Å
331D95.6Very high92.4Very high96 Ų9656.7 Ų56.751%0.51330%0.295SS..THydrogen-bonded Turntrans-61.3-17.7174.6-62.9-29.5000112.3Y284 M327 T328 I329Y284-D331 WeakPolarHBondContact CE2-OD1 3.19Å; Y284-D331 PolarHBondContact OH-OD1 3.31Å; M327-D331 PolarHBondContact O-N 3.34Å; T328-D331 WeakPolarHBondContact CA-OD2 3.5Å; I329-D331 VanDerWaalsContact C-N 3.33Å; I329-D331 PolarHBondContact O-N 2.78Å
332S95.7Very high92.4Very high28 Ų2856.3 Ų56.320%0.19629%0.285CS..THydrogen-bonded Turntrans-91.41.7175.4-60.30000114.3I329 M330 S361I329-S332 WeakPolarHBondContact O-CB 3.27Å; I329-S332 PolarHBondContact O-N 3.25Å; M330-S332 PolarHBondContact O-N 3.44Å; M330-S332 VanDerWaalsContact O-N 3.09Å; S332-S361 PolarHBondContact OG-N 3.26Å; S332-S361 VanDerWaalsContact OG-N 3.16Å
333M95.8Very high92.4Very high16 Ų1650 Ų508%0.07926%0.261CS..SBendtrans-90.3155.4175.9-58.3-173.4-176.700110.6L280 I329 M330 E337 L338 F347 V357 L371L280-M333 HydrophobicContact CD1-SD 3.74Å; I329-M333 HydrophobicContact CG2-CE 4.39Å; M330-M333 HydrophobicContact CG-CE 4.31Å; M330-M333 HydrophobicContact CG-SD 4.43Å; M330-M333 VanDerWaalsContact O-CB 3.31Å; M330-M333 WeakPolarHBondContact O-CB 3.18Å; M330-M333 PolarHBondContact O-N 3.31Å; M333-E337 WeakPolarHBondContact CA-OE2 3.21Å; M333-E337 HydrophobicContact CB-CB 4.28Å; M333-E337 WeakPolarHBondContact CB-OE2 3.44Å; M333-L338 HydrophobicContact CB-CD2 3.92Å; M333-L338 HydrophobicContact CB-CG 3.97Å; M333-L338 HydrophobicContact SD-CD2 4.21Å; M333-F347 HydrophobicContact CE-CE2 4.26Å; M333-F347 HydrophobicContact CE-CZ 3.9Å; M333-F347 HydrophobicContact CG-CZ 4.12Å; M333-F347 HydrophobicContact SD-CE2 4.04Å; M333-F347 HydrophobicContact SD-CZ 3.86Å; M333-V357 HydrophobicContact CE-CG1 4.37Å; M333-V357 HydrophobicContact CG-CG1 4.49Å; M333-V357 HydrophobicContact CG-CG2 3.9Å; M333-L371 HydrophobicContact CE-CD2 4.01Å
334N95.1Very high92.4Very high56 Ų5649.2 Ų49.230%0.29926%0.26SS..  trans-94.8166.3175.261.437.5000111.7Q336 E337 L338N334-Q336 PolarHBondContact O-N 3.26Å; N334-Q336 WeakPolarHBondContact OD1-CB 3.22Å; N334-Q336 PolarHBondContact OD1-N 3.22Å; N334-E337 PolarHBondContact N-OE2 3Å; N334-E337 VanDerWaalsContact N-OE2 3.1Å; N334-E337 PolarHBondContact ND2-OE1 3.39Å; N334-E337 WeakPolarHBondContact O-CB 3.35Å; N334-E337 PolarHBondContact O-N 3.26Å; N334-E337 WeakPolarHBondContact OD1-CB 3.48Å; N334-E337 VanDerWaalsContact OD1-CD 3.26Å; N334-E337 WeakPolarHBondContact OD1-CG 3.34Å; N334-E337 PolarHBondContact OD1-N 2.87Å; N334-L338 PolarHBondContact O-N 3.18Å
335D95.1Very high92.4Very high106 Ų10649 Ų4957%0.56726%0.259SS*.Hα-helixtrans-56.9-37.5-178.7-65.2-42.2000112.7R281 E337 L338 D339R281-D335 IonicContact CZ-OD1 3.3Å; R281-D335 IonicContact NH2-OD1 2.69Å; R281-D335 PolarHBondContact NH2-OD1 3.4Å; D335-E337 VanDerWaalsContact C-N 3.26Å; D335-E337 PolarHBondContact O-N 2.87Å; D335-L338 PolarHBondContact O-N 3.48Å; D335-D339 VanDerWaalsContact O-CB 3.32Å; D335-D339 WeakPolarHBondContact O-CB 3.42Å; D335-D339 PolarHBondContact O-N 3.16Å
336Q93.2Very high92.3Very high132 Ų13246 Ų4662%0.61725%0.248SC*.Hα-helixtrans-60.3-36.2176.8-170.3-172.428.900112.6N334 S340N334-Q336 PolarHBondContact O-N 3.26Å; N334-Q336 WeakPolarHBondContact OD1-CB 3.22Å; N334-Q336 PolarHBondContact OD1-N 3.22Å; Q336-S340 PolarHBondContact O-N 3.05Å
337E93.6Very high92.3Very high0 Ų045.4 Ų45.40%025%0.245CC..Hα-helixtrans-78.2-42.7176.7-70.9156.9-177.200111.5M333 N334 D335 S340 V346 F347 R353 R356M333-E337 WeakPolarHBondContact CA-OE2 3.21Å; M333-E337 HydrophobicContact CB-CB 4.28Å; M333-E337 WeakPolarHBondContact CB-OE2 3.44Å; N334-E337 PolarHBondContact N-OE2 3Å; N334-E337 VanDerWaalsContact N-OE2 3.1Å; N334-E337 PolarHBondContact ND2-OE1 3.39Å; N334-E337 WeakPolarHBondContact O-CB 3.35Å; N334-E337 PolarHBondContact O-N 3.26Å; N334-E337 WeakPolarHBondContact OD1-CB 3.48Å; N334-E337 VanDerWaalsContact OD1-CD 3.26Å; N334-E337 WeakPolarHBondContact OD1-CG 3.34Å; N334-E337 PolarHBondContact OD1-N 2.87Å; D335-E337 VanDerWaalsContact C-N 3.26Å; D335-E337 PolarHBondContact O-N 2.87Å; E337-S340 PolarHBondContact O-N 3.28Å; E337-V346 HydrophobicContact CG-CG1 4.18Å; E337-F347 HydrophobicContact CB-CE2 4.16Å; E337-F347 HydrophobicContact CB-CZ 4.42Å; E337-F347 HydrophobicContact CG-CE2 4.15Å; E337-F347 HydrophobicContact CG-CZ 4.23Å; E337-R353 VanDerWaalsContact OE1-CD 3.3Å; E337-R353 WeakPolarHBondContact OE1-CD 3.23Å; E337-R353 IonicContact OE1-CZ 3.28Å; E337-R353 IonicContact OE1-NE 2.83Å; E337-R353 IonicContact OE1-NH1 3.75Å; E337-R353 PolarHBondContact OE1-NH1 2.94Å; E337-R356 IonicContact OE1-CZ 3.28Å; E337-R356 VanDerWaalsContact OE1-CZ 3.28Å; E337-R356 IonicContact OE1-NH1 3.77Å; E337-R356 PolarHBondContact OE1-NH1 3.43Å; E337-R356 IonicContact OE1-NH2 2.92Å; E337-R356 PolarHBondContact OE1-NH2 3.04Å; E337-R356 IonicContact OE2-CZ 3.66Å; E337-R356 IonicContact OE2-NH1 3.57Å; E337-R356 IonicContact OE2-NH2 2.62Å; E337-R356 PolarHBondContact OE2-NH2 3.44Å
338L93.4Very high92.2Very high18 Ų1849.1 Ų49.19%0.09427%0.273CS..Hα-helixtrans-65.3-39.2-178.4-71.6176.8000112.6T279 L280 R281 M333 N334 D335T279-L338 VanDerWaalsContact CB-O 3.26Å; T279-L338 WeakPolarHBondContact CB-O 3.23Å; T279-L338 PolarHBondContact OG1-O 3.35Å; L280-L338 HydrophobicContact CB-CD2 3.95Å; L280-L338 PolarHBondContact N-O 3.46Å; L280-L338 VanDerWaalsContact N-O 3.08Å; R281-L338 HydrophobicContact CB-CB 4.39Å; R281-L338 PolarHBondContact N-O 2.93Å; M333-L338 HydrophobicContact CB-CD2 3.92Å; M333-L338 HydrophobicContact CB-CG 3.97Å; M333-L338 HydrophobicContact SD-CD2 4.21Å; N334-L338 PolarHBondContact O-N 3.18Å; D335-L338 PolarHBondContact O-N 3.48Å
339D92.7Very high92.1Very high75 Ų7553.7 Ų53.740%0.40129%0.287SS..THydrogen-bonded Turntrans-95.46.2-176.9-62.4-47.5000113.3R281 D335R281-D339 WeakPolarHBondContact CD-OD1 3.46Å; R281-D339 IonicContact CZ-OD1 3.86Å; R281-D339 IonicContact CZ-OD2 3.92Å; R281-D339 IonicContact NE-OD1 3.68Å; R281-D339 PolarHBondContact NE-OD1 3.3Å; R281-D339 IonicContact NE-OD2 2.82Å; R281-D339 PolarHBondContact NE-OD2 3.01Å; R281-D339 IonicContact NH2-OD1 3.9Å; R281-D339 IonicContact NH2-OD2 2.77Å; R281-D339 PolarHBondContact NH2-OD2 3.17Å; D335-D339 VanDerWaalsContact O-CB 3.32Å; D335-D339 WeakPolarHBondContact O-CB 3.42Å; D335-D339 PolarHBondContact O-N 3.16Å
340S90.3Very high91.9Very high23 Ų2358.6 Ų58.616%0.16131%0.31CS..  trans-67.1139.1175.6-1630000111.6Q336 E337 D342 V346Q336-S340 PolarHBondContact O-N 3.05Å; E337-S340 PolarHBondContact O-N 3.28Å; S340-D342 PolarHBondContact O-N 3.2Å; S340-V346 WeakPolarHBondContact OG-CG2 3.5Å
341T85.3Confident91.8Very high92 Ų9262.8 Ų62.856%0.56434%0.337SS*.THydrogen-bonded Turntrans-63.9-25.4174.851.80000113.3
342D86.6Confident91.7Very high53 Ų5360.5 Ų60.528%0.28334%0.336SS..THydrogen-bonded Turntrans-14488.3173.5-169-29.9000109.4S340 A344 K345 V346S340-D342 PolarHBondContact O-N 3.2Å; D342-A344 VanDerWaalsContact C-N 3.26Å; D342-A344 PolarHBondContact O-N 2.96Å; D342-A344 PolarHBondContact OD1-N 3.05Å; D342-K345 HydrophobicContact CB-CB 4.08Å; D342-K345 WeakPolarHBondContact O-CB 3.48Å; D342-K345 PolarHBondContact O-N 3.42Å; D342-K345 VanDerWaalsContact O-N 3.15Å; D342-K345 PolarHBondContact OD1-N 3.25Å; D342-K345 VanDerWaalsContact OD1-N 3.14Å; D342-V346 PolarHBondContact O-N 2.92Å
343G85.3Confident91.7Very high0 Ų060.7 Ų60.70%033%0.333CS..Hα-helixtrans-55.8-40.8-179.800000112.4K345 V346 F347 Y375G343-K345 VanDerWaalsContact C-N 3.27Å; G343-K345 PolarHBondContact O-N 3.5Å; G343-V346 PolarHBondContact O-N 3.36Å; G343-F347 VanDerWaalsContact O-CD2 3.31Å; G343-F347 WeakPolarHBondContact O-CD2 3.34Å; G343-F347 PolarHBondContact O-N 2.72Å; G343-F347 VanDerWaalsContact O-N 3.14Å; G343-Y375 PolarHBondContact N-OH 3.13Å
344A88.3Confident91.6Very high16 Ų1661 Ų6113%0.13233%0.334CS..Hα-helixtrans-60-37.5-179.600000112.2D342 S348 Y375D342-A344 VanDerWaalsContact C-N 3.26Å; D342-A344 PolarHBondContact O-N 2.96Å; D342-A344 PolarHBondContact OD1-N 3.05Å; A344-S348 WeakPolarHBondContact O-CB 3.41Å; A344-S348 PolarHBondContact O-N 3.22Å; A344-S348 PolarHBondContact O-OG 3.39Å; A344-Y375 HydrophobicContact CB-CD1 4.3Å; A344-Y375 HydrophobicContact CB-CE1 4.37Å
345K90.2Very high91.6Very high127 Ų12764 Ų6455%0.55235%0.346SS*.Hα-helixtrans-65.9-37.1175.9-167.9175-175.9176.50112.6D342 G343 S348 K349D342-K345 HydrophobicContact CB-CB 4.08Å; D342-K345 WeakPolarHBondContact O-CB 3.48Å; D342-K345 PolarHBondContact O-N 3.42Å; D342-K345 VanDerWaalsContact O-N 3.15Å; D342-K345 PolarHBondContact OD1-N 3.25Å; D342-K345 VanDerWaalsContact OD1-N 3.14Å; G343-K345 VanDerWaalsContact C-N 3.27Å; G343-K345 PolarHBondContact O-N 3.5Å; K345-S348 PolarHBondContact O-N 3.4Å; K345-K349 WeakPolarHBondContact O-CG 3.44Å; K345-K349 PolarHBondContact O-N 2.9Å
346V91.4Very high91.6Very high29 Ų2962.7 Ų62.718%0.17633%0.333CS..Hα-helixtrans-65.9-46.1177.61780000111E337 S340 D342 G343 S348 K349 Q350E337-V346 HydrophobicContact CG-CG1 4.18Å; S340-V346 WeakPolarHBondContact OG-CG2 3.5Å; D342-V346 PolarHBondContact O-N 2.92Å; G343-V346 PolarHBondContact O-N 3.36Å; V346-S348 VanDerWaalsContact C-N 3.33Å; V346-S348 PolarHBondContact O-N 3.12Å; V346-K349 PolarHBondContact O-N 3.05Å; V346-Q350 PolarHBondContact O-N 3.33Å
347F92.7Very high91.8Very high2 Ų256.4 Ų56.41%0.00930%0.304CS..Hα-helixtrans-66.6-33.5177.8-80.1-87.2000112.9L280 M333 E337 G343 Q350 R353 I354 V357 L372L280-F347 HydrophobicContact CD1-CE2 4.2Å; M333-F347 HydrophobicContact CE-CE2 4.26Å; M333-F347 HydrophobicContact CE-CZ 3.9Å; M333-F347 HydrophobicContact CG-CZ 4.12Å; M333-F347 HydrophobicContact SD-CE2 4.04Å; M333-F347 HydrophobicContact SD-CZ 3.86Å; E337-F347 HydrophobicContact CB-CE2 4.16Å; E337-F347 HydrophobicContact CB-CZ 4.42Å; E337-F347 HydrophobicContact CG-CE2 4.15Å; E337-F347 HydrophobicContact CG-CZ 4.23Å; G343-F347 VanDerWaalsContact O-CD2 3.31Å; G343-F347 WeakPolarHBondContact O-CD2 3.34Å; G343-F347 PolarHBondContact O-N 2.72Å; G343-F347 VanDerWaalsContact O-N 3.14Å; F347-Q350 CarbonylContact O-C 3.58Å; F347-Q350 PolarHBondContact O-N 2.97Å; F347-R353 HydrophobicContact CD1-CB 3.72Å; F347-R353 HydrophobicContact CE1-CB 3.75Å; F347-I354 HydrophobicContact CB-CG1 4.49Å; F347-I354 HydrophobicContact CD1-CG1 3.76Å; F347-V357 HydrophobicContact CE1-CG2 3.89Å; F347-V357 HydrophobicContact CZ-CG2 4.08Å; F347-L372 HydrophobicContact CB-CD1 3.54Å; F347-L372 HydrophobicContact CB-CD2 4.4Å; F347-L372 HydrophobicContact CD1-CD1 4.04Å; F347-L372 HydrophobicContact CD2-CD1 4.1Å; F347-L372 HydrophobicContact CD2-CD2 3.58Å; F347-L372 HydrophobicContact CD2-CG 4.48Å; F347-L372 HydrophobicContact CE2-CD2 4.04Å; F347-L372 HydrophobicContact CG-CD1 3.63Å; F347-L372 HydrophobicContact CG-CD2 4.03Å; F347-L372 HydrophobicContact CG-CG 4.47Å
348S91Very high91.9Very high97 Ų9756.9 Ų56.968%0.67831%0.308SS*.Hα-helixtrans-67.9-33.4176.9-58.90000113A344 K345 V346A344-S348 WeakPolarHBondContact O-CB 3.41Å; A344-S348 PolarHBondContact O-N 3.22Å; A344-S348 PolarHBondContact O-OG 3.39Å; K345-S348 PolarHBondContact O-N 3.4Å; V346-S348 VanDerWaalsContact C-N 3.33Å; V346-S348 PolarHBondContact O-N 3.12Å
349K92.4Very high92Very high158 Ų15864.5 Ų64.569%0.68734%0.336SS*.Hα-helixtrans-71.8-32.4178.6-75.4179.9177.4-172.20113.3K345 V346K345-K349 WeakPolarHBondContact O-CG 3.44Å; K345-K349 PolarHBondContact O-N 2.9Å; V346-K349 PolarHBondContact O-N 3.05Å
350Q92.3Very high92.1Very high105 Ų10563.7 Ų63.749%0.49135%0.345SS..  trans-13586.8-176.1-72.4-175.7-37.300110.3V346 F347 G352 R353V346-Q350 PolarHBondContact O-N 3.33Å; F347-Q350 CarbonylContact O-C 3.58Å; F347-Q350 PolarHBondContact O-N 2.97Å; Q350-G352 PolarHBondContact O-N 3.05Å; Q350-R353 HydrophobicContact CB-CG 4.06Å; Q350-R353 WeakPolarHBondContact O-CB 3.33Å; Q350-R353 WeakPolarHBondContact O-CG 3.37Å; Q350-R353 PolarHBondContact O-N 3.28Å; Q350-R353 VanDerWaalsContact OE1-CZ 3.25Å
351P91.1Very high92.3Very high90 Ų9063.4 Ų63.458%0.58434%0.343SS*.THydrogen-bonded Turntrans-56.5-26.1-179.4-2735.2000114.2R353 I354P351-R353 PolarHBondContact O-N 3.12Å; P351-R353 VanDerWaalsContact O-N 3.11Å; P351-I354 WeakPolarHBondContact O-CB 3.49Å; P351-I354 PolarHBondContact O-N 2.82Å
352G94.4Very high92.7Very high47 Ų4762.6 Ų62.649%0.48535%0.352SS..Hα-helixtrans-57.5-23.6174.400000114Q350 Q355 R356Q350-G352 PolarHBondContact O-N 3.05Å; G352-Q355 PolarHBondContact O-N 3.34Å; G352-R356 PolarHBondContact O-N 3.13Å
353R94.6Very high93.1Very high33 Ų3361.2 Ų61.213%0.12535%0.346CS..Hα-helixtrans-63.8-39.9173.1-64.5178.6179.3-103.14.4111.6E337 F347 Q350 P351 Q355 R356 V357E337-R353 VanDerWaalsContact OE1-CD 3.3Å; E337-R353 WeakPolarHBondContact OE1-CD 3.23Å; E337-R353 IonicContact OE1-CZ 3.28Å; E337-R353 IonicContact OE1-NE 2.83Å; E337-R353 IonicContact OE1-NH1 3.75Å; E337-R353 PolarHBondContact OE1-NH1 2.94Å; F347-R353 HydrophobicContact CD1-CB 3.72Å; F347-R353 HydrophobicContact CE1-CB 3.75Å; Q350-R353 HydrophobicContact CB-CG 4.06Å; Q350-R353 WeakPolarHBondContact O-CB 3.33Å; Q350-R353 WeakPolarHBondContact O-CG 3.37Å; Q350-R353 PolarHBondContact O-N 3.28Å; Q350-R353 VanDerWaalsContact OE1-CZ 3.25Å; P351-R353 PolarHBondContact O-N 3.12Å; P351-R353 VanDerWaalsContact O-N 3.11Å; R353-Q355 VanDerWaalsContact C-N 3.35Å; R353-Q355 PolarHBondContact O-N 2.99Å; R353-R356 WeakPolarHBondContact O-CB 3.34Å; R353-R356 PolarHBondContact O-N 3.32Å; R353-V357 WeakPolarHBondContact O-CG2 3.49Å; R353-V357 PolarHBondContact O-N 3.46Å
354I94.8Very high93.6Very high22 Ų2263.8 Ų63.811%0.11336%0.364CS..Hα-helixtrans-60.9-46.1176.6-60.2179.2000110F347 P351 R356 V357 A358 T365 V368 Q369F347-I354 HydrophobicContact CB-CG1 4.49Å; F347-I354 HydrophobicContact CD1-CG1 3.76Å; P351-I354 WeakPolarHBondContact O-CB 3.49Å; P351-I354 PolarHBondContact O-N 2.82Å; I354-R356 VanDerWaalsContact C-N 3.32Å; I354-R356 PolarHBondContact O-N 3.47Å; I354-V357 PolarHBondContact O-N 2.89Å; I354-A358 VanDerWaalsContact O-CB 3.31Å; I354-A358 WeakPolarHBondContact O-CB 3.4Å; I354-A358 PolarHBondContact O-N 3.29Å; I354-T365 HydrophobicContact CG2-CG2 4.21Å; I354-V368 HydrophobicContact CB-CG1 4.48Å; I354-V368 HydrophobicContact CG1-CG1 4.49Å; I354-V368 HydrophobicContact CG2-CB 3.95Å; I354-V368 HydrophobicContact CG2-CG1 3.98Å; I354-Q369 HydrophobicContact CD1-CG 4.3Å
355Q94.6Very high93.9Very high118 Ų11866.5 Ų66.555%0.55138%0.379SS*.Hα-helixtrans-66.5-33.7178.8-167.8-178.516.600112.4G352 R353 R359G352-Q355 PolarHBondContact O-N 3.34Å; R353-Q355 VanDerWaalsContact C-N 3.35Å; R353-Q355 PolarHBondContact O-N 2.99Å; Q355-R359 WeakPolarHBondContact O-CG 3.43Å; Q355-R359 PolarHBondContact O-N 3.46Å; Q355-R359 VanDerWaalsContact O-N 3.16Å; Q355-R359 PolarHBondContact O-NE 2.89Å
356R96.2Very high94.1Very high79 Ų7969.2 Ų69.230%0.29839%0.386SS..Hα-helixtrans-65.7-49.2174.5-168.4-162.971.6-124.6-13.1111.2E337 G352 R353 I354 R359 G360E337-R356 IonicContact OE1-CZ 3.28Å; E337-R356 VanDerWaalsContact OE1-CZ 3.28Å; E337-R356 IonicContact OE1-NH1 3.77Å; E337-R356 PolarHBondContact OE1-NH1 3.43Å; E337-R356 IonicContact OE1-NH2 2.92Å; E337-R356 PolarHBondContact OE1-NH2 3.04Å; E337-R356 IonicContact OE2-CZ 3.66Å; E337-R356 IonicContact OE2-NH1 3.57Å; E337-R356 IonicContact OE2-NH2 2.62Å; E337-R356 PolarHBondContact OE2-NH2 3.44Å; G352-R356 PolarHBondContact O-N 3.13Å; R353-R356 WeakPolarHBondContact O-CB 3.34Å; R353-R356 PolarHBondContact O-N 3.32Å; I354-R356 VanDerWaalsContact C-N 3.32Å; I354-R356 PolarHBondContact O-N 3.47Å; R356-R359 PolarHBondContact O-N 2.96Å; R356-G360 PolarHBondContact O-N 3.18Å; R356-G360 VanDerWaalsContact O-N 3.08Å
357V96.3Very high94.2Very high0 Ų069.4 Ų69.40%039%0.386CS..Hα-helixtrans-62.1-44178.5171.80000111.2I329 M333 F347 R353 I354 R359 G360 S361 V368I329-V357 HydrophobicContact CG2-CG1 3.65Å; I329-V357 WeakPolarHBondContact O-CG1 3.43Å; M333-V357 HydrophobicContact CE-CG1 4.37Å; M333-V357 HydrophobicContact CG-CG1 4.49Å; M333-V357 HydrophobicContact CG-CG2 3.9Å; F347-V357 HydrophobicContact CE1-CG2 3.89Å; F347-V357 HydrophobicContact CZ-CG2 4.08Å; R353-V357 WeakPolarHBondContact O-CG2 3.49Å; R353-V357 PolarHBondContact O-N 3.46Å; I354-V357 PolarHBondContact O-N 2.89Å; V357-R359 VanDerWaalsContact C-N 3.32Å; V357-R359 PolarHBondContact O-N 3.43Å; V357-G360 PolarHBondContact O-N 3.32Å; V357-S361 PolarHBondContact O-N 2.95Å; V357-S361 PolarHBondContact O-OG 2.88Å; V357-V368 HydrophobicContact CB-CG1 4.38Å; V357-V368 HydrophobicContact CB-CG2 4.36Å; V357-V368 HydrophobicContact CG1-CG1 4.08Å; V357-V368 HydrophobicContact CG1-CG2 3.85Å
358A95.9Very high94.3Very high10 Ų1069.3 Ų69.38%0.08339%0.385CS..Hα-helixtrans-59.3-41.3177.400000112.3I354 G362 V363 T365 V368I354-A358 VanDerWaalsContact O-CB 3.31Å; I354-A358 WeakPolarHBondContact O-CB 3.4Å; I354-A358 PolarHBondContact O-N 3.29Å; A358-G362 PolarHBondContact O-N 2.68Å; A358-V363 WeakPolarHBondContact CB-O 3.38Å; A358-V363 PolarHBondContact O-N 3.21Å; A358-T365 HydrophobicContact CB-CG2 4.09Å; A358-V368 HydrophobicContact CB-CG2 4.19Å
359R95.1Very high94.4Very high179 Ų17969.7 Ų69.768%0.67538%0.376SS*.Hα-helixtrans-64.7-43.4174.9-77.7-175.3-71.4167.1-4.2112.8Q355 R356 V357Q355-R359 WeakPolarHBondContact O-CG 3.43Å; Q355-R359 PolarHBondContact O-N 3.46Å; Q355-R359 VanDerWaalsContact O-N 3.16Å; Q355-R359 PolarHBondContact O-NE 2.89Å; R356-R359 PolarHBondContact O-N 2.96Å; V357-R359 VanDerWaalsContact C-N 3.32Å; V357-R359 PolarHBondContact O-N 3.43Å
360G94.8Very high94.4Very high57 Ų5765.4 Ų65.459%0.58836%0.359SS*.Hα-helixtrans-67.9-35.4-178.500000113.7R356 V357R356-G360 PolarHBondContact O-N 3.18Å; R356-G360 VanDerWaalsContact O-N 3.08Å; V357-G360 PolarHBondContact O-N 3.32Å
361S94.2Very high94.5Very high18 Ų1860.4 Ų60.413%0.12634%0.335CS..Hα-helixtrans-96.8-6.9-175.552.90000114.3S332 V357 V363S332-S361 PolarHBondContact OG-N 3.26Å; S332-S361 VanDerWaalsContact OG-N 3.16Å; V357-S361 PolarHBondContact O-N 2.95Å; V357-S361 PolarHBondContact O-OG 2.88Å; S361-V363 VanDerWaalsContact C-N 3.29Å; S361-V363 PolarHBondContact O-N 2.73Å; S361-V363 VanDerWaalsContact OG-CG2 3.25Å; S361-V363 WeakPolarHBondContact OG-CG2 3.31Å
362G94.8Very high94.6Very high74 Ų7456.9 Ų56.976%0.76331%0.312SS*.THydrogen-bonded Turntrans6925.6-178.700000113.8A358A358-G362 PolarHBondContact O-N 2.68Å
363V94.9Very high94.5Very high24 Ų2458.2 Ų58.215%0.14531%0.31CS..  trans-111.7168.3-177-52.80000112K325 I329 A358 S361 D367 V368K325-V363 HydrophobicContact CG-CG1 4.48Å; I329-V363 HydrophobicContact CD1-CB 4.44Å; I329-V363 HydrophobicContact CD1-CG1 4.1Å; I329-V363 HydrophobicContact CD1-CG2 4.02Å; I329-V363 HydrophobicContact CG1-CB 4.46Å; I329-V363 HydrophobicContact CG1-CG1 3.87Å; I329-V363 HydrophobicContact CG1-CG2 3.93Å; A358-V363 WeakPolarHBondContact CB-O 3.38Å; A358-V363 PolarHBondContact O-N 3.21Å; S361-V363 VanDerWaalsContact C-N 3.29Å; S361-V363 PolarHBondContact O-N 2.73Å; S361-V363 VanDerWaalsContact OG-CG2 3.25Å; S361-V363 WeakPolarHBondContact OG-CG2 3.31Å; V363-D367 HydrophobicContact CB-CB 3.98Å; V363-D367 WeakPolarHBondContact CB-OD2 3.32Å; V363-D367 HydrophobicContact CG2-CB 3.95Å; V363-V368 HydrophobicContact CG2-CG2 3.94Å
364S95.1Very high94.3Very high54 Ų5458.5 Ų58.538%0.37831%0.313SS..  trans-73.5154173.975.40000111.5R366 D367 V368S364-R366 PolarHBondContact O-N 3.37Å; S364-R366 VanDerWaalsContact O-N 3.16Å; S364-R366 PolarHBondContact OG-N 3.38Å; S364-D367 PolarHBondContact N-OD2 3.12Å; S364-D367 WeakPolarHBondContact O-CB 3.34Å; S364-D367 PolarHBondContact O-N 3.23Å; S364-D367 VanDerWaalsContact OG-CG 3.22Å; S364-D367 PolarHBondContact OG-N 2.93Å; S364-D367 PolarHBondContact OG-OD1 3.45Å; S364-D367 PolarHBondContact OG-OD2 3.34Å; S364-V368 PolarHBondContact O-N 3Å
365T94.2Very high94.1Very high73 Ų7357.5 Ų57.545%0.44831%0.308SS..Hα-helixtrans-58.9-26.9172.450.50000112.5I354 A358 V368 Q369I354-T365 HydrophobicContact CG2-CG2 4.21Å; A358-T365 HydrophobicContact CB-CG2 4.09Å; T365-V368 PolarHBondContact O-N 3.11Å; T365-Q369 WeakPolarHBondContact O-CG 3.49Å; T365-Q369 PolarHBondContact O-N 3.48Å; T365-Q369 VanDerWaalsContact O-N 3.16Å
366R94.8Very high94Very high185 Ų18554.2 Ų54.270%0.69830%0.296SS*.Hα-helixtrans-64.3-40.5173.4-179.6-178175.9177.4-0.2112.1S364 V368 Q369 E370S364-R366 PolarHBondContact O-N 3.37Å; S364-R366 VanDerWaalsContact O-N 3.16Å; S364-R366 PolarHBondContact OG-N 3.38Å; R366-V368 VanDerWaalsContact C-N 3.28Å; R366-V368 PolarHBondContact O-N 3.5Å; R366-Q369 PolarHBondContact O-N 2.97Å; R366-E370 PolarHBondContact O-N 3.2Å
367D94.2Very high93.6Very high33 Ų3357 Ų5718%0.17631%0.311CS..Hα-helixtrans-63.3-38.2179.5-63.9-19.4000110.9K325 I329 V363 S364 E370 L371K325-D367 WeakPolarHBondContact CE-OD2 3.2Å; K325-D367 IonicContact NZ-OD1 2.77Å; K325-D367 IonicContact NZ-OD2 2.76Å; K325-D367 PolarHBondContact NZ-OD2 2.9Å; I329-D367 HydrophobicContact CD1-CB 4.07Å; V363-D367 HydrophobicContact CB-CB 3.98Å; V363-D367 WeakPolarHBondContact CB-OD2 3.32Å; V363-D367 HydrophobicContact CG2-CB 3.95Å; S364-D367 PolarHBondContact N-OD2 3.12Å; S364-D367 WeakPolarHBondContact O-CB 3.34Å; S364-D367 PolarHBondContact O-N 3.23Å; S364-D367 VanDerWaalsContact OG-CG 3.22Å; S364-D367 PolarHBondContact OG-N 2.93Å; S364-D367 PolarHBondContact OG-OD1 3.45Å; S364-D367 PolarHBondContact OG-OD2 3.34Å; D367-E370 PolarHBondContact O-N 3.12Å; D367-L371 PolarHBondContact O-N 2.98Å
368V94.5Very high93.2Very high0 Ų061 Ų610%033%0.328CS..Hα-helixtrans-66.2-42.4175-176.10000111.2I329 I354 V357 A358 V363 S364 T365 R366 E370 L371 L372I329-V368 HydrophobicContact CG2-CG2 4.15Å; I354-V368 HydrophobicContact CB-CG1 4.48Å; I354-V368 HydrophobicContact CG1-CG1 4.49Å; I354-V368 HydrophobicContact CG2-CB 3.95Å; I354-V368 HydrophobicContact CG2-CG1 3.98Å; V357-V368 HydrophobicContact CB-CG1 4.38Å; V357-V368 HydrophobicContact CB-CG2 4.36Å; V357-V368 HydrophobicContact CG1-CG1 4.08Å; V357-V368 HydrophobicContact CG1-CG2 3.85Å; A358-V368 HydrophobicContact CB-CG2 4.19Å; V363-V368 HydrophobicContact CG2-CG2 3.94Å; S364-V368 PolarHBondContact O-N 3Å; T365-V368 PolarHBondContact O-N 3.11Å; R366-V368 VanDerWaalsContact C-N 3.28Å; R366-V368 PolarHBondContact O-N 3.5Å; V368-E370 VanDerWaalsContact C-N 3.31Å; V368-E370 PolarHBondContact O-N 3.17Å; V368-L371 PolarHBondContact O-N 3.42Å; V368-L372 HydrophobicContact CG1-CD1 4.46Å; V368-L372 WeakPolarHBondContact O-CG 3.49Å; V368-L372 PolarHBondContact O-N 3.24Å
369Q93.3Very high92.8Very high104 Ų10461 Ų6149%0.48633%0.328SS..Hα-helixtrans-64.2-36.9175.7-71.5176.4-4.800112.3I354 T365 R366 L372 T373I354-Q369 HydrophobicContact CD1-CG 4.3Å; T365-Q369 WeakPolarHBondContact O-CG 3.49Å; T365-Q369 PolarHBondContact O-N 3.48Å; T365-Q369 VanDerWaalsContact O-N 3.16Å; R366-Q369 PolarHBondContact O-N 2.97Å; Q369-L372 PolarHBondContact O-N 3.31Å; Q369-T373 WeakPolarHBondContact O-CB 3.44Å; Q369-T373 PolarHBondContact O-N 2.61Å; Q369-T373 PolarHBondContact O-OG1 3.43Å
370E92.9Very high92.4Very high68 Ų6857.6 Ų57.632%0.31832%0.32SS..Hα-helixtrans-64.5-44.5175.7-166.5-177.1155.100111.1R322 R366 D367 V368 L372 T373 Q374R322-E370 IonicContact CZ-OE1 3.99Å; R322-E370 IonicContact NH2-OE1 3.03Å; R322-E370 PolarHBondContact NH2-OE1 3.47Å; R366-E370 PolarHBondContact O-N 3.2Å; D367-E370 PolarHBondContact O-N 3.12Å; V368-E370 VanDerWaalsContact C-N 3.31Å; V368-E370 PolarHBondContact O-N 3.17Å; E370-L372 VanDerWaalsContact C-N 3.35Å; E370-L372 PolarHBondContact O-N 3.38Å; E370-T373 WeakPolarHBondContact O-CB 3.36Å; E370-T373 PolarHBondContact O-N 2.87Å; E370-Q374 WeakPolarHBondContact O-CG 3.27Å; E370-Q374 PolarHBondContact O-N 3.25Å; E370-Q374 PolarHBondContact OE1-NE2 3.01Å
371L93.5Very high91.9Very high0 Ų057.8 Ų57.80%031%0.306CS..Hα-helixtrans-57.3-47.2173.9-174154.8000111.4L280 M283 L326 I329 M330 M333 D367 V368 T373 Q374 Y375L280-L371 HydrophobicContact CD2-CD2 4.01Å; M283-L371 HydrophobicContact CE-CD2 4.13Å; M283-L371 HydrophobicContact CE-CG 4.09Å; L326-L371 HydrophobicContact CB-CD1 4.24Å; L326-L371 HydrophobicContact CD2-CB 4.04Å; L326-L371 HydrophobicContact CD2-CD1 3.86Å; L326-L371 HydrophobicContact CD2-CG 4.1Å; I329-L371 HydrophobicContact CB-CD1 3.9Å; I329-L371 HydrophobicContact CG2-CD1 3.75Å; M330-L371 HydrophobicContact CG-CD1 3.77Å; M330-L371 HydrophobicContact CG-CD2 4.39Å; M330-L371 HydrophobicContact SD-CD1 4.48Å; M333-L371 HydrophobicContact CE-CD2 4.01Å; D367-L371 PolarHBondContact O-N 2.98Å; V368-L371 PolarHBondContact O-N 3.42Å; L371-T373 VanDerWaalsContact C-N 3.29Å; L371-T373 PolarHBondContact O-N 2.86Å; L371-Q374 PolarHBondContact O-N 3.32Å; L371-Y375 WeakPolarHBondContact O-CB 3.29Å; L371-Y375 PolarHBondContact O-N 2.98Å
372L93.3Very high91.6Very high17 Ų1757.6 Ų57.69%0.08930%0.304CS..Hα-helixtrans-64.1-34.3178.3-67.9172.1000112.6F347 V368 Q369 E370 T376F347-L372 HydrophobicContact CB-CD1 3.54Å; F347-L372 HydrophobicContact CB-CD2 4.4Å; F347-L372 HydrophobicContact CD1-CD1 4.04Å; F347-L372 HydrophobicContact CD2-CD1 4.1Å; F347-L372 HydrophobicContact CD2-CD2 3.58Å; F347-L372 HydrophobicContact CD2-CG 4.48Å; F347-L372 HydrophobicContact CE2-CD2 4.04Å; F347-L372 HydrophobicContact CG-CD1 3.63Å; F347-L372 HydrophobicContact CG-CD2 4.03Å; F347-L372 HydrophobicContact CG-CG 4.47Å; V368-L372 HydrophobicContact CG1-CD1 4.46Å; V368-L372 WeakPolarHBondContact O-CG 3.49Å; V368-L372 PolarHBondContact O-N 3.24Å; Q369-L372 PolarHBondContact O-N 3.31Å; E370-L372 VanDerWaalsContact C-N 3.35Å; E370-L372 PolarHBondContact O-N 3.38Å; L372-T376 WeakPolarHBondContact O-CB 3.44Å; L372-T376 PolarHBondContact O-N 3.14Å; L372-T376 PolarHBondContact O-OG1 3.38Å
373T92.5Very high91.1Very high75 Ų7559.1 Ų59.146%0.4629%0.29SS..Hα-helixtrans-66.2-43.2174.4-57.90000110.9Q369 E370 L371 T376 K377Q369-T373 WeakPolarHBondContact O-CB 3.44Å; Q369-T373 PolarHBondContact O-N 2.61Å; Q369-T373 PolarHBondContact O-OG1 3.43Å; E370-T373 WeakPolarHBondContact O-CB 3.36Å; E370-T373 PolarHBondContact O-N 2.87Å; L371-T373 VanDerWaalsContact C-N 3.29Å; L371-T373 PolarHBondContact O-N 2.86Å; T373-T376 PolarHBondContact O-N 3.13Å; T373-K377 WeakPolarHBondContact O-CG 3.46Å; T373-K377 PolarHBondContact O-N 3.49Å; T373-K377 VanDerWaalsContact O-N 3.13Å
374Q89.6Confident90.5Very high39 Ų3963 Ų6318%0.18231%0.305CS..Hα-helixtrans-64.2-46.3175.1-67.917610.800111.2E370 L371 T376 K377 F378E370-Q374 WeakPolarHBondContact O-CG 3.27Å; E370-Q374 PolarHBondContact O-N 3.25Å; E370-Q374 PolarHBondContact OE1-NE2 3.01Å; L371-Q374 PolarHBondContact O-N 3.32Å; Q374-T376 VanDerWaalsContact C-N 3.32Å; Q374-T376 PolarHBondContact O-N 3.39Å; Q374-K377 WeakPolarHBondContact O-CB 3.24Å; Q374-K377 PolarHBondContact O-N 3.43Å; Q374-K377 VanDerWaalsContact O-N 3.14Å; Q374-F378 VanDerWaalsContact O-CD2 3.24Å; Q374-F378 WeakPolarHBondContact O-CD2 3.41Å; Q374-F378 PolarHBondContact O-N 3.42Å
375Y92.5Very high89.8Confident0 Ų063.6 Ų63.60%030%0.303CS..Hα-helixtrans-54.8-46.3173.3166.6-100.9000111.7F278 L280 M283 G343 A344 L371 K377 F378 A379F278-Y375 HydrophobicContact CD1-CD2 4.06Å; F278-Y375 AromaticContact CD1-CE2 3.77Å; F278-Y375 HydrophobicContact CD1-CE2 3.77Å; F278-Y375 HydrophobicContact CE1-CD2 4.13Å; F278-Y375 HydrophobicContact CE1-CE2 4.25Å; F278-Y375 VanDerWaalsContact O-CE2 3.3Å; F278-Y375 WeakPolarHBondContact O-CE2 3.48Å; F278-Y375 PolarHBondContact O-OH 2.67Å; L280-Y375 HydrophobicContact CD2-CD1 4.44Å; L280-Y375 HydrophobicContact CD2-CD2 3.55Å; L280-Y375 HydrophobicContact CD2-CE2 4.13Å; L280-Y375 HydrophobicContact CD2-CG 3.73Å; L280-Y375 HydrophobicContact CG-CD2 3.98Å; L280-Y375 HydrophobicContact CG-CE2 4.03Å; L280-Y375 HydrophobicContact CG-CG 4.34Å; M283-Y375 HydrophobicContact SD-CD2 4.01Å; M283-Y375 HydrophobicContact SD-CG 4.45Å; G343-Y375 PolarHBondContact N-OH 3.13Å; A344-Y375 HydrophobicContact CB-CD1 4.3Å; A344-Y375 HydrophobicContact CB-CE1 4.37Å; L371-Y375 WeakPolarHBondContact O-CB 3.29Å; L371-Y375 PolarHBondContact O-N 2.98Å; Y375-K377 VanDerWaalsContact C-N 3.29Å; Y375-K377 PolarHBondContact O-N 2.94Å; Y375-F378 PolarHBondContact O-N 3.03Å; Y375-F378 VanDerWaalsContact O-N 3.13Å; Y375-A379 WeakPolarHBondContact O-CB 3.43Å; Y375-A379 PolarHBondContact O-N 2.93Å
376T91.3Very high89.2Confident50 Ų5061 Ų6131%0.30729%0.29SS..Hα-helixtrans-60.1-40.4179.1-57.10000111.4L372 T373 Q374 Q380L372-T376 WeakPolarHBondContact O-CB 3.44Å; L372-T376 PolarHBondContact O-N 3.14Å; L372-T376 PolarHBondContact O-OG1 3.38Å; T373-T376 PolarHBondContact O-N 3.13Å; Q374-T376 VanDerWaalsContact C-N 3.32Å; Q374-T376 PolarHBondContact O-N 3.39Å; T376-Q380 WeakPolarHBondContact O-CB 3.4Å; T376-Q380 VanDerWaalsContact O-CG 3.27Å; T376-Q380 WeakPolarHBondContact O-CG 3.44Å; T376-Q380 PolarHBondContact O-N 3.33Å
377K88.6Confident88.2Confident138 Ų13855 Ų5560%0.629%0.286SS*.Hα-helixtrans-64.4-44175-69.9175.6179.8-179.50111.6T373 Q374 Y375 Q380 M381T373-K377 WeakPolarHBondContact O-CG 3.46Å; T373-K377 PolarHBondContact O-N 3.49Å; T373-K377 VanDerWaalsContact O-N 3.13Å; Q374-K377 WeakPolarHBondContact O-CB 3.24Å; Q374-K377 PolarHBondContact O-N 3.43Å; Q374-K377 VanDerWaalsContact O-N 3.14Å; Y375-K377 VanDerWaalsContact C-N 3.29Å; Y375-K377 PolarHBondContact O-N 2.94Å; K377-Q380 PolarHBondContact O-N 3.15Å; K377-M381 PolarHBondContact O-N 3.23Å
378F87.3Confident87.2Confident83 Ų8354.2 Ų54.236%0.36428%0.282SS..Hα-helixtrans-64.2-45.6176.1-79.5-64.4000112.4F278 M283 Q374 Y375 Q380 M381 V382F278-F378 HydrophobicContact CD1-CB 4.26Å; F278-F378 HydrophobicContact CE1-CB 3.7Å; F278-F378 HydrophobicContact CZ-CB 4.34Å; M283-F378 HydrophobicContact SD-CD2 4.46Å; Q374-F378 VanDerWaalsContact O-CD2 3.24Å; Q374-F378 WeakPolarHBondContact O-CD2 3.41Å; Q374-F378 PolarHBondContact O-N 3.42Å; Y375-F378 PolarHBondContact O-N 3.03Å; Y375-F378 VanDerWaalsContact O-N 3.13Å; F378-Q380 VanDerWaalsContact C-N 3.29Å; F378-Q380 PolarHBondContact O-N 3.32Å; F378-M381 WeakPolarHBondContact O-CA 3.46Å; F378-M381 WeakPolarHBondContact O-CB 3.21Å; F378-M381 PolarHBondContact O-N 2.89Å; F378-V382 PolarHBondContact O-N 2.79Å
379A88Confident85.7Confident11 Ų1162.7 Ų62.79%0.09132%0.318CS..Hα-helixtrans-60.6-38.3176.800000111.8F278 Y375 V382 K383F278-A379 HydrophobicContact CB-CB 4.44Å; F278-A379 HydrophobicContact CD1-CB 4.31Å; Y375-A379 WeakPolarHBondContact O-CB 3.43Å; Y375-A379 PolarHBondContact O-N 2.93Å; A379-V382 PolarHBondContact O-N 3.31Å; A379-K383 WeakPolarHBondContact O-CB 3.28Å; A379-K383 VanDerWaalsContact O-CG 3.28Å; A379-K383 WeakPolarHBondContact O-CG 3.48Å; A379-K383 PolarHBondContact O-N 3.34Å
380Q87.2Confident84.3Confident106 Ų10658.5 Ų58.550%0.49530%0.303SS..Hα-helixtrans-64.7-38.6173-75.5178.28.800112.7T376 K377 F378 K384T376-Q380 WeakPolarHBondContact O-CB 3.4Å; T376-Q380 VanDerWaalsContact O-CG 3.27Å; T376-Q380 WeakPolarHBondContact O-CG 3.44Å; T376-Q380 PolarHBondContact O-N 3.33Å; K377-Q380 PolarHBondContact O-N 3.15Å; F378-Q380 VanDerWaalsContact C-N 3.29Å; F378-Q380 PolarHBondContact O-N 3.32Å; Q380-K384 WeakPolarHBondContact O-CG 3.5Å; Q380-K384 PolarHBondContact O-N 3.36Å; Q380-K384 VanDerWaalsContact O-N 3.12Å
381M84.3Confident83.1Confident61 Ų6156.3 Ų56.330%0.329%0.294SS..Hα-helixtrans-63.6-48.7175.1-178.4-177.7-58.100110.9K377 F378 K383 K384 M385 M416K377-M381 PolarHBondContact O-N 3.23Å; F378-M381 WeakPolarHBondContact O-CA 3.46Å; F378-M381 WeakPolarHBondContact O-CB 3.21Å; F378-M381 PolarHBondContact O-N 2.89Å; M381-K383 PolarHBondContact O-N 2.87Å; M381-K384 WeakPolarHBondContact O-CB 3.5Å; M381-K384 PolarHBondContact O-N 3.35Å; M381-K384 VanDerWaalsContact O-N 3.13Å; M381-M385 HydrophobicContact CG-SD 4.17Å; M381-M385 WeakPolarHBondContact O-CG 3.4Å; M381-M385 PolarHBondContact O-N 3.09Å; M381-M416 HydrophobicContact CB-CE 4.42Å; M381-M416 HydrophobicContact CB-SD 4.05Å; M381-M416 HydrophobicContact CE-CB 4.42Å; M381-M416 HydrophobicContact CE-CE 3.76Å; M381-M416 HydrophobicContact CE-SD 3.62Å; M381-M416 HydrophobicContact CG-CE 3.81Å; M381-M416 HydrophobicContact CG-SD 4.07Å; M381-M416 HydrophobicContact SD-CE 4.27Å
382V86.3Confident81.7Confident15 Ų1558.5 Ų58.59%0.09130%0.303CS..Hα-helixtrans-58.9-46.8177167.10000111.5L273 F278 F378 A379 K384 M385 G386L273-V382 HydrophobicContact CD2-CB 4.11Å; L273-V382 HydrophobicContact CD2-CG1 3.36Å; L273-V382 HydrophobicContact CD2-CG2 3.66Å; F278-V382 HydrophobicContact CB-CB 4.09Å; F278-V382 HydrophobicContact CB-CG1 4.01Å; F278-V382 HydrophobicContact CB-CG2 4.11Å; F278-V382 HydrophobicContact CD2-CG2 3.82Å; F278-V382 HydrophobicContact CE2-CG2 4.38Å; F278-V382 HydrophobicContact CG-CB 4.46Å; F278-V382 HydrophobicContact CG-CG2 3.94Å; F378-V382 PolarHBondContact O-N 2.79Å; A379-V382 PolarHBondContact O-N 3.31Å; V382-K384 VanDerWaalsContact C-N 3.26Å; V382-K384 PolarHBondContact O-N 3.17Å; V382-M385 PolarHBondContact O-N 2.92Å; V382-M385 VanDerWaalsContact O-N 3.15Å; V382-G386 PolarHBondContact O-N 2.9Å
383K85.9Confident79.9Confident106 Ų10664.5 Ų64.546%0.46133%0.329SS..Hα-helixtrans-56.7-39.8175.8-76.5173.2-177.5175.90112.3G276 A379 M381 G387G276-K383 WeakPolarHBondContact O-CG 3.41Å; A379-K383 WeakPolarHBondContact O-CB 3.28Å; A379-K383 VanDerWaalsContact O-CG 3.28Å; A379-K383 WeakPolarHBondContact O-CG 3.48Å; A379-K383 PolarHBondContact O-N 3.34Å; M381-K383 PolarHBondContact O-N 2.87Å; K383-G387 PolarHBondContact O-N 2.68Å
384K82.4Confident78.1Confident104 Ų10464.7 Ų64.745%0.45235%0.346SS..Hα-helixtrans-70.1-40.7176.9-72.8176.5-176.6-1790112.3Q380 M381 V382 G387Q380-K384 WeakPolarHBondContact O-CG 3.5Å; Q380-K384 PolarHBondContact O-N 3.36Å; Q380-K384 VanDerWaalsContact O-N 3.12Å; M381-K384 WeakPolarHBondContact O-CB 3.5Å; M381-K384 PolarHBondContact O-N 3.35Å; M381-K384 VanDerWaalsContact O-N 3.13Å; V382-K384 VanDerWaalsContact C-N 3.26Å; V382-K384 PolarHBondContact O-N 3.17Å; K384-G387 PolarHBondContact O-N 3.33Å
385M80.2Confident76.6Confident68 Ų6864.8 Ų64.834%0.33536%0.357SS..Hα-helixtrans-67.6-42.6177.3-71-179.47100112.1M381 V382 G387 I388 L391 F392M381-M385 HydrophobicContact CG-SD 4.17Å; M381-M385 WeakPolarHBondContact O-CG 3.4Å; M381-M385 PolarHBondContact O-N 3.09Å; V382-M385 PolarHBondContact O-N 2.92Å; V382-M385 VanDerWaalsContact O-N 3.15Å; M385-G387 PolarHBondContact O-N 3.13Å; M385-I388 WeakPolarHBondContact O-CB 3.47Å; M385-I388 PolarHBondContact O-N 2.92Å; M385-L391 HydrophobicContact CE-CD2 4Å; M385-F392 HydrophobicContact CB-CZ 4.3Å; M385-F392 HydrophobicContact CE-CZ 4.39Å
386G79.9Confident74.8Confident17 Ų1767.7 Ų67.718%0.17537%0.373CS..Hα-helixtrans-58.9-31.1174.800000113.3L273 V382 I388L273-G386 WeakPolarHBondContact O-CA 3.49Å; V382-G386 PolarHBondContact O-N 2.9Å; G386-I388 PolarHBondContact O-N 3.5Å
387G75.6Confident73.2Confident60 Ų6068.7 Ų68.762%0.61938%0.375SS*.THydrogen-bonded Turntrans-69.3-14.3174.500000115K383 K384 M385 K389K383-G387 PolarHBondContact O-N 2.68Å; K384-G387 PolarHBondContact O-N 3.33Å; M385-G387 PolarHBondContact O-N 3.13Å; G387-K389 PolarHBondContact O-N 3.25Å
388I71.8Confident71.8Confident17 Ų1765.6 Ų65.69%0.08737%0.37CS..SBendtrans-87.992.6-180-58.3172.1000109.1M385 G386 G390 L391 Q405 L409M385-I388 WeakPolarHBondContact O-CB 3.47Å; M385-I388 PolarHBondContact O-N 2.92Å; G386-I388 PolarHBondContact O-N 3.5Å; I388-G390 PolarHBondContact O-N 2.79Å; I388-L391 HydrophobicContact CG2-CB 4.32Å; I388-L391 PolarHBondContact O-N 3.44Å; I388-Q405 HydrophobicContact CG2-CB 4.09Å; I388-Q405 HydrophobicContact CG2-CG 4.37Å; I388-L409 HydrophobicContact CD1-CB 3.98Å; I388-L409 HydrophobicContact CD1-CD1 3.82Å; I388-L409 HydrophobicContact CD1-CG 4.27Å
389K64.5Low70.6Confident177 Ų17770 Ų7077%0.7739%0.389SS*.THydrogen-bonded Turntrans-52.9127.9175.3-72.9-172.7177-178.50111.2G387 Q405G387-K389 PolarHBondContact O-N 3.25Å; K389-Q405 PolarHBondContact O-NE2 3.08Å
390G63.9Low69.3Low17 Ų1772.2 Ų72.218%0.17540%0.399CS..THydrogen-bonded Turntrans101.8-18.4173.800000115.3I388 F392 K393 N400I388-G390 PolarHBondContact O-N 2.79Å; G390-F392 VanDerWaalsContact C-N 3.27Å; G390-F392 PolarHBondContact O-N 3.45Å; G390-K393 PolarHBondContact O-N 2.81Å; G390-N400 WeakPolarHBondContact O-CB 3.47Å
391L66.5Low68.3Low22 Ų2267.8 Ų67.812%0.11538%0.38CS..THydrogen-bonded Turntrans-62.9-32.6-176.4-166.968.6000113.3M385 I388 M397 V401 L409M385-L391 HydrophobicContact CE-CD2 4Å; I388-L391 HydrophobicContact CG2-CB 4.32Å; I388-L391 PolarHBondContact O-N 3.44Å; L391-M397 HydrophobicContact CD1-SD 3.96Å; L391-V401 HydrophobicContact CD1-CG2 4.32Å; L391-L409 HydrophobicContact CD1-CD1 3.98Å; L391-L409 HydrophobicContact CD2-CD1 3.74Å
392F64.5Low67.6Low46 Ų4667.4 Ų67.420%0.20238%0.383CS..THydrogen-bonded Turntrans-108.816.2-175.6-58.9-68.9000113.8I270 L273 K274 M385 G390I270-F392 HydrophobicContact CG2-CB 3.83Å; I270-F392 HydrophobicContact CG2-CD1 4.37Å; I270-F392 HydrophobicContact CG2-CG 4.34Å; L273-F392 HydrophobicContact CB-CE1 4.45Å; L273-F392 HydrophobicContact CB-CE2 4.36Å; L273-F392 HydrophobicContact CB-CZ 4.09Å; L273-F392 HydrophobicContact CD1-CE1 4.06Å; L273-F392 HydrophobicContact CD1-CZ 4.29Å; K274-F392 HydrophobicContact CD-CB 4.44Å; K274-F392 WeakPolarHBondContact CE-O 3.41Å; K274-F392 HydrophobicContact CG-CB 4.07Å; K274-F392 HydrophobicContact CG-CD2 4.03Å; K274-F392 HydrophobicContact CG-CG 4.35Å; M385-F392 HydrophobicContact CB-CZ 4.3Å; M385-F392 HydrophobicContact CE-CZ 4.39Å; G390-F392 VanDerWaalsContact C-N 3.27Å; G390-F392 PolarHBondContact O-N 3.45Å
393K55.3Low67.1Low143 Ų14374.3 Ų74.362%0.62241%0.414SS*.SBendtrans-82.6117.1170-79.5-169.2172.6-171.90107.4G390 N400G390-K393 PolarHBondContact O-N 2.81Å; K393-N400 PolarHBondContact O-ND2 3.04Å
394G53.7Low66.8Low79 Ų7972.9 Ų72.981%0.81442%0.418SS*.SBendtrans-47.8139.5175.100000111.4
395G58.6Low66.5Low41 Ų4170.2 Ų70.242%0.42341%0.407SS..SBendtrans109.4-172.9-171.900000113.4M397G395-M397 PolarHBondContact O-N 2.92Å; G395-M397 VanDerWaalsContact O-N 3.08Å
396D55.6Low66.2Low61 Ų6168.2 Ų68.233%0.32640%0.397SS..  trans-63.9108.2-171.7-167.3-15.5000111.6S398 K399 N400D396-S398 PolarHBondContact O-N 2.75Å; D396-S398 VanDerWaalsContact OD1-CB 3.27Å; D396-S398 WeakPolarHBondContact OD1-CB 3.43Å; D396-S398 PolarHBondContact OD1-N 3.39Å; D396-S398 PolarHBondContact OD1-OG 2.9Å; D396-S398 PolarHBondContact OD2-OG 2.82Å; D396-S398 VanDerWaalsContact OD2-OG 3.11Å; D396-K399 HydrophobicContact CB-CD 4.45Å; D396-K399 HydrophobicContact CB-CG 4.25Å; D396-K399 PolarHBondContact O-N 3.19Å; D396-N400 PolarHBondContact O-N 3.38Å
397M58.2Low66.2Low71 Ų7169.1 Ų69.135%0.3540%0.403SS..Hα-helixtrans-51.1-30.3175.6-88.5-166.9-87.900112.3L391 G395 K399 N400 V401 Q439L391-M397 HydrophobicContact CD1-SD 3.96Å; G395-M397 PolarHBondContact O-N 2.92Å; G395-M397 VanDerWaalsContact O-N 3.08Å; M397-K399 PolarHBondContact O-N 2.93Å; M397-N400 PolarHBondContact O-N 3.39Å; M397-V401 PolarHBondContact O-N 3.17Å; M397-Q439 HydrophobicContact CB-CG 4.44Å; M397-Q439 HydrophobicContact CE-CG 4.13Å
398S58.5Low66.5Low72 Ų7272.6 Ų72.650%0.50340%0.401SS..Hα-helixtrans-67.1-25.5179.275.60000113.1D396D396-S398 PolarHBondContact O-N 2.75Å; D396-S398 VanDerWaalsContact OD1-CB 3.27Å; D396-S398 WeakPolarHBondContact OD1-CB 3.43Å; D396-S398 PolarHBondContact OD1-N 3.39Å; D396-S398 PolarHBondContact OD1-OG 2.9Å; D396-S398 PolarHBondContact OD2-OG 2.82Å; D396-S398 VanDerWaalsContact OD2-OG 3.11Å
399K62Low66.8Low175 Ų17572.2 Ų72.276%0.76140%0.399SS*.Hα-helixtrans-84.9-28.7174-67.9-171.4177.5-178.40112.7D396 M397D396-K399 HydrophobicContact CB-CD 4.45Å; D396-K399 HydrophobicContact CB-CG 4.25Å; D396-K399 PolarHBondContact O-N 3.19Å; M397-K399 PolarHBondContact O-N 2.93Å
400N60.7Low67.5Low58 Ų5864.1 Ų64.131%0.3136%0.364SS..Hα-helixtrans-97.7-16.4-168.8-69.2-20.4000114.3G390 K393 D396 M397G390-N400 WeakPolarHBondContact O-CB 3.47Å; K393-N400 PolarHBondContact O-ND2 3.04Å; D396-N400 PolarHBondContact O-N 3.38Å; M397-N400 PolarHBondContact O-N 3.39Å
401V65.4Low68.5Low14 Ų1468.8 Ų68.89%0.08538%0.381CS..SBendtrans-123.6124-174.2-171.90000110.6L391 M397 Q405 M406L391-V401 HydrophobicContact CD1-CG2 4.32Å; M397-V401 PolarHBondContact O-N 3.17Å; V401-Q405 HydrophobicContact CG1-CB 3.57Å; V401-M406 HydrophobicContact CB-CG 4.42Å; V401-M406 HydrophobicContact CG1-CG 3.8Å; V401-M406 HydrophobicContact CG1-SD 4.21Å
402S71.2Confident69.1Low52 Ų5270.5 Ų70.536%0.36439%0.389SS..  trans-67.2152176.362.10000111.9S404 Q405 M406S402-S404 PolarHBondContact O-N 3.48Å; S402-S404 VanDerWaalsContact O-N 3.14Å; S402-S404 PolarHBondContact OG-OG 3.41Å; S402-Q405 WeakPolarHBondContact O-CB 3.3Å; S402-Q405 PolarHBondContact O-N 3.14Å; S402-Q405 VanDerWaalsContact OG-CG 3.23Å; S402-Q405 WeakPolarHBondContact OG-CG 3.48Å; S402-Q405 PolarHBondContact OG-N 3.28Å; S402-Q405 PolarHBondContact OG-OE1 3.33Å; S402-M406 PolarHBondContact O-N 2.97Å
403Q75.1Confident69.7Low161 Ų16171.4 Ų71.475%0.75239%0.394SS*.Hα-helixtrans-56.7-32.3176.8-171.9177.61.700112.4M406 A407Q403-M406 PolarHBondContact O-N 3.02Å; Q403-A407 WeakPolarHBondContact O-CB 3.5Å; Q403-A407 PolarHBondContact O-N 3.24Å
404S79.1Confident71Confident76 Ų7665.5 Ų65.553%0.53137%0.372SS..Hα-helixtrans-69.9-36.3176.766.20000112.6S402 A407 K408S402-S404 PolarHBondContact O-N 3.48Å; S402-S404 VanDerWaalsContact O-N 3.14Å; S402-S404 PolarHBondContact OG-OG 3.41Å; S404-A407 PolarHBondContact O-N 3Å; S404-K408 WeakPolarHBondContact O-CG 3.33Å; S404-K408 PolarHBondContact O-N 3.22Å
405Q75.9Confident72.3Confident47 Ų4770.4 Ų70.422%0.2237%0.371CS..Hα-helixtrans-68.5-42.2173-74.9169.9-50.200111.5I388 K389 V401 S402 A407 K408 L409I388-Q405 HydrophobicContact CG2-CB 4.09Å; I388-Q405 HydrophobicContact CG2-CG 4.37Å; K389-Q405 PolarHBondContact O-NE2 3.08Å; V401-Q405 HydrophobicContact CG1-CB 3.57Å; S402-Q405 WeakPolarHBondContact O-CB 3.3Å; S402-Q405 PolarHBondContact O-N 3.14Å; S402-Q405 VanDerWaalsContact OG-CG 3.23Å; S402-Q405 WeakPolarHBondContact OG-CG 3.48Å; S402-Q405 PolarHBondContact OG-N 3.28Å; S402-Q405 PolarHBondContact OG-OE1 3.33Å; Q405-A407 VanDerWaalsContact C-N 3.32Å; Q405-A407 PolarHBondContact O-N 3.11Å; Q405-K408 PolarHBondContact O-N 3.29Å; Q405-L409 WeakPolarHBondContact O-CB 3.5Å; Q405-L409 PolarHBondContact O-N 3.19Å
406M74.8Confident73Confident27 Ų2772.1 Ų72.113%0.13337%0.369CS..Hα-helixtrans-61.9-40172.9-78.8-62.6-77.600111.7V401 S402 Q403 K408 L409 N410 M435V401-M406 HydrophobicContact CB-CG 4.42Å; V401-M406 HydrophobicContact CG1-CG 3.8Å; V401-M406 HydrophobicContact CG1-SD 4.21Å; S402-M406 PolarHBondContact O-N 2.97Å; Q403-M406 PolarHBondContact O-N 3.02Å; M406-K408 PolarHBondContact O-N 3.31Å; M406-L409 PolarHBondContact O-N 3Å; M406-N410 WeakPolarHBondContact O-CB 3.14Å; M406-N410 VanDerWaalsContact O-CG 3.31Å; M406-N410 PolarHBondContact O-N 3.25Å; M406-N410 PolarHBondContact O-ND2 2.85Å; M406-M435 HydrophobicContact CE-CB 4.18Å; M406-M435 HydrophobicContact CE-SD 3.91Å
407A79.9Confident73.9Confident36 Ų3671.8 Ų71.830%0.29837%0.366SS..Hα-helixtrans-62.4-42.617500000112Q403 S404 Q405 N410 Q411Q403-A407 WeakPolarHBondContact O-CB 3.5Å; Q403-A407 PolarHBondContact O-N 3.24Å; S404-A407 PolarHBondContact O-N 3Å; Q405-A407 VanDerWaalsContact C-N 3.32Å; Q405-A407 PolarHBondContact O-N 3.11Å; A407-N410 PolarHBondContact O-N 3Å; A407-Q411 WeakPolarHBondContact O-CG 3.32Å; A407-Q411 PolarHBondContact O-N 3.34Å
408K80.6Confident74.8Confident132 Ų13272.7 Ų72.757%0.57437%0.372SS*.Hα-helixtrans-61.7-43173.7-76.2178.8-179.9-179.40111.9S404 Q405 M406 Q411 Q412S404-K408 WeakPolarHBondContact O-CG 3.33Å; S404-K408 PolarHBondContact O-N 3.22Å; Q405-K408 PolarHBondContact O-N 3.29Å; M406-K408 PolarHBondContact O-N 3.31Å; K408-Q411 PolarHBondContact O-N 2.86Å; K408-Q412 VanDerWaalsContact O-CG 3.29Å; K408-Q412 WeakPolarHBondContact O-CG 3.45Å; K408-Q412 PolarHBondContact O-N 2.8Å
409L78.2Confident75.8Confident10 Ų1074.1 Ų74.15%0.05238%0.38CS..Hα-helixtrans-61.5-47.5177.4-174.6139.5000111.2I388 L391 Q405 M406 Q411 Q412 M413 M435I388-L409 HydrophobicContact CD1-CB 3.98Å; I388-L409 HydrophobicContact CD1-CD1 3.82Å; I388-L409 HydrophobicContact CD1-CG 4.27Å; L391-L409 HydrophobicContact CD1-CD1 3.98Å; L391-L409 HydrophobicContact CD2-CD1 3.74Å; Q405-L409 WeakPolarHBondContact O-CB 3.5Å; Q405-L409 PolarHBondContact O-N 3.19Å; M406-L409 PolarHBondContact O-N 3Å; L409-Q411 VanDerWaalsContact C-N 3.34Å; L409-Q411 PolarHBondContact O-N 3.48Å; L409-Q412 WeakPolarHBondContact O-CB 3.26Å; L409-Q412 PolarHBondContact O-N 2.73Å; L409-Q412 VanDerWaalsContact O-N 3.12Å; L409-M413 HydrophobicContact CD2-CG 4.27Å; L409-M413 HydrophobicContact CD2-SD 3.64Å; L409-M413 WeakPolarHBondContact O-CG 3.47Å; L409-M413 PolarHBondContact O-N 2.86Å; L409-M435 HydrophobicContact CD2-CE 3.48Å; L409-M435 VanDerWaalsContact CD2-CE 3.48Å; L409-M435 HydrophobicContact CD2-SD 3.56Å; L409-M435 VanDerWaalsContact CD2-SD 3.56Å
410N80.6Confident76.7Confident6 Ų675.3 Ų75.33%0.03238%0.38CS..Hα-helixtrans-58.8-43.9176.4-73.5-49.6000112.1M406 A407 Q412 M413 A414 M428 L431 Q432 M435M406-N410 WeakPolarHBondContact O-CB 3.14Å; M406-N410 VanDerWaalsContact O-CG 3.31Å; M406-N410 PolarHBondContact O-N 3.25Å; M406-N410 PolarHBondContact O-ND2 2.85Å; A407-N410 PolarHBondContact O-N 3Å; N410-Q412 VanDerWaalsContact C-N 3.3Å; N410-Q412 PolarHBondContact O-N 3.08Å; N410-M413 PolarHBondContact O-N 3.47Å; N410-A414 WeakPolarHBondContact O-CB 3.38Å; N410-A414 PolarHBondContact O-N 2.87Å; N410-M428 HydrophobicContact CB-CE 3.71Å; N410-L431 HydrophobicContact CB-CD2 4.45Å; N410-Q432 WeakPolarHBondContact ND2-CG 3.39Å; N410-M435 PolarHBondContact OD1-SD 2.76Å
411Q83.8Confident77.6Confident115 Ų11574.1 Ų74.154%0.53737%0.374SS..Hα-helixtrans-64.2-36.4176.9-75.2178.7-1.800112.3A407 K408 L409 K415 M428A407-Q411 WeakPolarHBondContact O-CG 3.32Å; A407-Q411 PolarHBondContact O-N 3.34Å; K408-Q411 PolarHBondContact O-N 2.86Å; L409-Q411 VanDerWaalsContact C-N 3.34Å; L409-Q411 PolarHBondContact O-N 3.48Å; Q411-K415 WeakPolarHBondContact O-CG 3.25Å; Q411-K415 PolarHBondContact O-N 3.41Å; Q411-M428 HydrophobicContact CG-CE 4.21Å
412Q78.8Confident78.2Confident59 Ų5974.8 Ų74.828%0.27638%0.378SS..Hα-helixtrans-68.2-45.8176.7-74.4176.8-7.800111.2K408 L409 N410 A414 K415 M416K408-Q412 VanDerWaalsContact O-CG 3.29Å; K408-Q412 WeakPolarHBondContact O-CG 3.45Å; K408-Q412 PolarHBondContact O-N 2.8Å; L409-Q412 WeakPolarHBondContact O-CB 3.26Å; L409-Q412 PolarHBondContact O-N 2.73Å; L409-Q412 VanDerWaalsContact O-N 3.12Å; N410-Q412 VanDerWaalsContact C-N 3.3Å; N410-Q412 PolarHBondContact O-N 3.08Å; Q412-A414 PolarHBondContact O-N 3.46Å; Q412-K415 PolarHBondContact O-N 3.18Å; Q412-M416 WeakPolarHBondContact O-CE 3.45Å; Q412-M416 PolarHBondContact O-N 3.28Å
413M78.2Confident78.7Confident65 Ų6579.6 Ų79.632%0.3239%0.394SS..Hα-helixtrans-58.5-47.8176-70.7-174.176.200111.2L409 N410 K415 M416 M417 L431 M435L409-M413 HydrophobicContact CD2-CG 4.27Å; L409-M413 HydrophobicContact CD2-SD 3.64Å; L409-M413 WeakPolarHBondContact O-CG 3.47Å; L409-M413 PolarHBondContact O-N 2.86Å; N410-M413 PolarHBondContact O-N 3.47Å; M413-K415 VanDerWaalsContact C-N 3.26Å; M413-K415 PolarHBondContact O-N 3.39Å; M413-M416 PolarHBondContact O-N 3.21Å; M413-M417 WeakPolarHBondContact O-CG 3.45Å; M413-M417 PolarHBondContact O-N 2.82Å; M413-M417 VanDerWaalsContact O-N 3.08Å; M413-L431 HydrophobicContact CB-CD2 4.13Å; M413-M435 HydrophobicContact CE-CE 4.31Å; M413-M435 HydrophobicContact SD-CE 3.52Å; M413-M435 VanDerWaalsContact SD-CE 3.52Å; M413-M435 HydrophobicContact SD-SD 4.28Å
414A81.7Confident78.8Confident19 Ų1977.1 Ų77.116%0.15738%0.382CS..Hα-helixtrans-59.6-31.8179.500000114.2N410 Q412 M416 L422 M428N410-A414 WeakPolarHBondContact O-CB 3.38Å; N410-A414 PolarHBondContact O-N 2.87Å; Q412-A414 PolarHBondContact O-N 3.46Å; A414-M416 VanDerWaalsContact C-N 3.3Å; A414-M416 PolarHBondContact O-N 3.37Å; A414-L422 HydrophobicContact CB-CD1 4.31Å; A414-L422 HydrophobicContact CB-CD2 3.78Å; A414-M428 HydrophobicContact CB-CE 4.45Å; A414-M428 HydrophobicContact CB-SD 3.31Å; A414-M428 WeakPolarHBondContact CB-SD 3.17Å
415K82.5Confident78.5Confident182 Ų18274.2 Ų74.279%0.79136%0.36SS*.Hα-helixtrans-73.6-19.9175.7-75-179.9-179.8-174.30113.9Q411 Q412 M413Q411-K415 WeakPolarHBondContact O-CG 3.25Å; Q411-K415 PolarHBondContact O-N 3.41Å; Q412-K415 PolarHBondContact O-N 3.18Å; M413-K415 VanDerWaalsContact C-N 3.26Å; M413-K415 PolarHBondContact O-N 3.39Å
416M72.3Confident78.7Confident77 Ų7774.4 Ų74.438%0.37938%0.375SS..Hα-helixtrans-100.3-17.7-177.4-66.1-175.8-66.400112.6M381 Q412 M413 A414M381-M416 HydrophobicContact CB-CE 4.42Å; M381-M416 HydrophobicContact CB-SD 4.05Å; M381-M416 HydrophobicContact CE-CB 4.42Å; M381-M416 HydrophobicContact CE-CE 3.76Å; M381-M416 HydrophobicContact CE-SD 3.62Å; M381-M416 HydrophobicContact CG-CE 3.81Å; M381-M416 HydrophobicContact CG-SD 4.07Å; M381-M416 HydrophobicContact SD-CE 4.27Å; Q412-M416 WeakPolarHBondContact O-CE 3.45Å; Q412-M416 PolarHBondContact O-N 3.28Å; M413-M416 PolarHBondContact O-N 3.21Å; A414-M416 VanDerWaalsContact C-N 3.3Å; A414-M416 PolarHBondContact O-N 3.37Å
417M73.9Confident79.1Confident53 Ų5374.1 Ų74.126%0.26138%0.378SS..SBendtrans-83.9148.7175.2-63.9179.884.200110.4M413 V421 M425M413-M417 WeakPolarHBondContact O-CG 3.45Å; M413-M417 PolarHBondContact O-N 2.82Å; M413-M417 VanDerWaalsContact O-N 3.08Å; M417-V421 HydrophobicContact CE-CG1 3.8Å; M417-M425 HydrophobicContact CE-CE 4.16Å; M417-M425 HydrophobicContact CE-SD 3.32Å; M417-M425 WeakPolarHBondContact CE-SD 3.45Å; M417-M425 HydrophobicContact SD-SD 4.24Å
418D78.8Confident79.2Confident90 Ų9075.4 Ų75.448%0.48138%0.379SS..  trans-60.4134.7171.4-173.5-64.4000109.5R420 V421 L422D418-R420 PolarHBondContact O-N 2.77Å; D418-R420 VanDerWaalsContact O-N 3.14Å; D418-R420 VanDerWaalsContact OD1-CB 3.32Å; D418-R420 WeakPolarHBondContact OD1-CB 3.47Å; D418-R420 PolarHBondContact OD1-N 3.39Å; D418-V421 HydrophobicContact CB-CB 4.22Å; D418-V421 HydrophobicContact CB-CG2 3.83Å; D418-V421 WeakPolarHBondContact O-CB 3.48Å; D418-V421 PolarHBondContact O-N 3.02Å; D418-L422 PolarHBondContact O-N 3.39Å
419P78.8Confident79.2Confident103 Ų10372.5 Ų72.567%0.66938%0.38SS*.Hα-helixtrans-53.4-34.1179.7-27.834.9000114.2H423P419-H423 PolarHBondContact O-N 2.71Å; P419-H423 VanDerWaalsContact O-N 3.09Å
420R80.7Confident79.3Confident200 Ų20073 Ų7376%0.75539%0.387SS*.Hα-helixtrans-67.9-40.9177.6-62.5-178.9177.4-175.8-0.1111.1D418 H423 H424D418-R420 PolarHBondContact O-N 2.77Å; D418-R420 VanDerWaalsContact O-N 3.14Å; D418-R420 VanDerWaalsContact OD1-CB 3.32Å; D418-R420 WeakPolarHBondContact OD1-CB 3.47Å; D418-R420 PolarHBondContact OD1-N 3.39Å; R420-H423 WeakPolarHBondContact O-CB 3.41Å; R420-H423 PolarHBondContact O-N 3.45Å; R420-H424 PolarHBondContact O-CD2 3.05Å; R420-H424 VanDerWaalsContact O-CD2 3.24Å; R420-H424 PolarHBondContact O-N 3.3Å
421V78.5Confident79.3Confident32 Ų3272.9 Ų72.919%0.19439%0.386CS..Hα-helixtrans-63.8-45.2177.7176.70000110.3F306 F310 M417 D418 H423 H424 M425F306-V421 HydrophobicContact CE1-CG1 3.84Å; F306-V421 HydrophobicContact CZ-CG1 3.51Å; F310-V421 HydrophobicContact CZ-CG2 4.06Å; M417-V421 HydrophobicContact CE-CG1 3.8Å; D418-V421 HydrophobicContact CB-CB 4.22Å; D418-V421 HydrophobicContact CB-CG2 3.83Å; D418-V421 WeakPolarHBondContact O-CB 3.48Å; D418-V421 PolarHBondContact O-N 3.02Å; V421-H423 VanDerWaalsContact C-N 3.29Å; V421-H423 PolarHBondContact O-N 3.15Å; V421-H424 PolarHBondContact O-N 3.14Å; V421-M425 HydrophobicContact CG1-SD 4.4Å; V421-M425 WeakPolarHBondContact O-CG 3.31Å; V421-M425 PolarHBondContact O-N 3.22Å; V421-M425 VanDerWaalsContact O-N 3.12Å
422L79.4Confident79.1Confident29 Ų2971 Ų7115%0.15238%0.377CS..Hα-helixtrans-62.6-37.5177.4-175.565.2000112.1A414 D418 M425 G427A414-L422 HydrophobicContact CB-CD1 4.31Å; A414-L422 HydrophobicContact CB-CD2 3.78Å; D418-L422 PolarHBondContact O-N 3.39Å; L422-M425 PolarHBondContact O-N 3.5Å; L422-G427 VanDerWaalsContact O-CA 3.31Å; L422-G427 WeakPolarHBondContact O-CA 3.47Å; L422-G427 PolarHBondContact O-N 3.4Å
423H80.6Confident79.1Confident152 Ų15271 Ų7170%0.70439%0.385SS*.Hα-helixtrans-63.4-45175.5-172.273.9000111.7P419 R420 V421 M425 G426P419-H423 PolarHBondContact O-N 2.71Å; P419-H423 VanDerWaalsContact O-N 3.09Å; R420-H423 WeakPolarHBondContact O-CB 3.41Å; R420-H423 PolarHBondContact O-N 3.45Å; V421-H423 VanDerWaalsContact C-N 3.29Å; V421-H423 PolarHBondContact O-N 3.15Å; H423-M425 VanDerWaalsContact C-N 3.25Å; H423-M425 PolarHBondContact O-N 3.26Å; H423-G426 PolarHBondContact O-N 3Å
424H76.9Confident79.1Confident109 Ų10968.7 Ų68.751%0.50537%0.373SS..Hα-helixtrans-60.1-33.4175.9-85.8-71.9000113.3R420 V421 G426R420-H424 PolarHBondContact O-CD2 3.05Å; R420-H424 VanDerWaalsContact O-CD2 3.24Å; R420-H424 PolarHBondContact O-N 3.3Å; V421-H424 PolarHBondContact O-N 3.14Å; H424-G426 PolarHBondContact O-N 3.16Å
425M74.7Confident78.9Confident16 Ų1669.8 Ų69.88%0.07938%0.375CS..THydrogen-bonded Turntrans-74.50.7176.3-66.8174.280.100114.5F306 M417 V421 L422 H423 G430 L431 M434F306-M425 HydrophobicContact CD2-CG 4.27Å; F306-M425 HydrophobicContact CE2-CE 4.1Å; F306-M425 HydrophobicContact CE2-CG 3.34Å; F306-M425 HydrophobicContact CE2-SD 3.67Å; F306-M425 HydrophobicContact CZ-CG 3.51Å; F306-M425 HydrophobicContact CZ-SD 3.76Å; M417-M425 HydrophobicContact CE-CE 4.16Å; M417-M425 HydrophobicContact CE-SD 3.32Å; M417-M425 WeakPolarHBondContact CE-SD 3.45Å; M417-M425 HydrophobicContact SD-SD 4.24Å; V421-M425 HydrophobicContact CG1-SD 4.4Å; V421-M425 WeakPolarHBondContact O-CG 3.31Å; V421-M425 PolarHBondContact O-N 3.22Å; V421-M425 VanDerWaalsContact O-N 3.12Å; L422-M425 PolarHBondContact O-N 3.5Å; H423-M425 VanDerWaalsContact C-N 3.25Å; H423-M425 PolarHBondContact O-N 3.26Å; M425-G430 VanDerWaalsContact O-CA 3.31Å; M425-G430 WeakPolarHBondContact O-CA 3.49Å; M425-L431 HydrophobicContact CE-CD1 3.73Å; M425-M434 HydrophobicContact CE-CE 3.31Å; M425-M434 HydrophobicContact CE-SD 3.44Å; M425-M434 WeakPolarHBondContact CE-SD 3.49Å; M425-M434 HydrophobicContact CG-CE 4.49Å
426G79.8Confident78.6Confident51 Ų5168.1 Ų68.153%0.52636%0.364SS..THydrogen-bonded Turntrans83.922.3-174.400000113.8H423 H424 G430H423-G426 PolarHBondContact O-N 3Å; H424-G426 PolarHBondContact O-N 3.16Å; G426-G430 PolarHBondContact O-N 3.1Å
427G82.6Confident78.8Confident20 Ų2068.1 Ų68.121%0.20636%0.363CS..Hα-helixtrans69.4-159.2178.500000113.7L422 A429 G430 L431L422-G427 VanDerWaalsContact O-CA 3.31Å; L422-G427 WeakPolarHBondContact O-CA 3.47Å; L422-G427 PolarHBondContact O-N 3.4Å; G427-A429 VanDerWaalsContact C-N 3.29Å; G427-A429 PolarHBondContact O-N 2.92Å; G427-G430 PolarHBondContact O-N 2.96Å; G427-L431 PolarHBondContact O-N 3.26Å
428M81.1Confident78.9Confident64 Ų6468.6 Ų68.632%0.31536%0.364SS..Hα-helixtrans-60.4-36.5-178.9-73.5-62.2-63.800113.5N410 Q411 A414 Q432N410-M428 HydrophobicContact CB-CE 3.71Å; Q411-M428 HydrophobicContact CG-CE 4.21Å; A414-M428 HydrophobicContact CB-CE 4.45Å; A414-M428 HydrophobicContact CB-SD 3.31Å; A414-M428 WeakPolarHBondContact CB-SD 3.17Å; M428-Q432 WeakPolarHBondContact O-CB 3.49Å; M428-Q432 VanDerWaalsContact O-CG 3.29Å; M428-Q432 WeakPolarHBondContact O-CG 3.43Å; M428-Q432 PolarHBondContact O-N 2.98Å
429A81.4Confident78.5Confident71 Ų7165.9 Ų65.959%0.58735%0.348SS*.Hα-helixtrans-69.5-40.317800000111.5G427 Q432 S433G427-A429 VanDerWaalsContact C-N 3.29Å; G427-A429 PolarHBondContact O-N 2.92Å; A429-Q432 PolarHBondContact O-N 3.44Å; A429-S433 PolarHBondContact O-N 3.38Å
430G80.6Confident78.3Confident19 Ų1967.5 Ų67.520%0.19635%0.347CS..Hα-helixtrans-63.6-45.1174.400000112.6M425 G426 G427 Q432 S433 M434M425-G430 VanDerWaalsContact O-CA 3.31Å; M425-G430 WeakPolarHBondContact O-CA 3.49Å; G426-G430 PolarHBondContact O-N 3.1Å; G427-G430 PolarHBondContact O-N 2.96Å; G430-Q432 VanDerWaalsContact C-N 3.34Å; G430-Q432 PolarHBondContact O-N 3.09Å; G430-S433 PolarHBondContact O-N 3.16Å; G430-M434 WeakPolarHBondContact O-CB 3.46Å; G430-M434 PolarHBondContact O-N 3.49Å
431L79.4Confident77.6Confident4 Ų459 Ų592%0.02132%0.321CS..Hα-helixtrans-58-45.1173.6-17964.7000111.7N410 M413 M425 G427 S433 M434 M435N410-L431 HydrophobicContact CB-CD2 4.45Å; M413-L431 HydrophobicContact CB-CD2 4.13Å; M425-L431 HydrophobicContact CE-CD1 3.73Å; G427-L431 PolarHBondContact O-N 3.26Å; L431-S433 PolarHBondContact O-N 3.46Å; L431-M434 PolarHBondContact O-N 3.16Å; L431-M435 WeakPolarHBondContact O-CG 3.31Å; L431-M435 PolarHBondContact O-N 3.28Å
432Q80.3Confident76.7Confident75 Ų7559.4 Ų59.435%0.3533%0.328SS..Hα-helixtrans-61.8-42.2176.1-781765.300112.7N410 M428 A429 G430 M435 R436N410-Q432 WeakPolarHBondContact ND2-CG 3.39Å; M428-Q432 WeakPolarHBondContact O-CB 3.49Å; M428-Q432 VanDerWaalsContact O-CG 3.29Å; M428-Q432 WeakPolarHBondContact O-CG 3.43Å; M428-Q432 PolarHBondContact O-N 2.98Å; A429-Q432 PolarHBondContact O-N 3.44Å; G430-Q432 VanDerWaalsContact C-N 3.34Å; G430-Q432 PolarHBondContact O-N 3.09Å; Q432-M435 PolarHBondContact O-N 2.96Å; Q432-R436 WeakPolarHBondContact O-CG 3.37Å; Q432-R436 PolarHBondContact O-N 3.22Å
433S79.4Confident75.5Confident61 Ų6159.7 Ų59.743%0.42734%0.335SS..Hα-helixtrans-63.5-43.2176.9-1730000111.4A429 G430 L431 R436 Q437A429-S433 PolarHBondContact O-N 3.38Å; G430-S433 PolarHBondContact O-N 3.16Å; L431-S433 PolarHBondContact O-N 3.46Å; S433-R436 WeakPolarHBondContact O-CB 3.49Å; S433-R436 PolarHBondContact O-N 2.92Å; S433-Q437 WeakPolarHBondContact O-CG 3.35Å; S433-Q437 PolarHBondContact O-N 3.39Å
434M77.3Confident74Confident15 Ų1554.6 Ų54.67%0.07432%0.323CS..Hα-helixtrans-60.7-49.1176179.9-172.5-64.100111.2I303 P304 M425 G430 L431 R436 Q437 F438I303-M434 HydrophobicContact CG2-CE 3.24Å; I303-M434 HydrophobicContact CG2-SD 3.61Å; P304-M434 WeakPolarHBondContact O-CE 3.43Å; M425-M434 HydrophobicContact CE-CE 3.31Å; M425-M434 HydrophobicContact CE-SD 3.44Å; M425-M434 WeakPolarHBondContact CE-SD 3.49Å; M425-M434 HydrophobicContact CG-CE 4.49Å; G430-M434 WeakPolarHBondContact O-CB 3.46Å; G430-M434 PolarHBondContact O-N 3.49Å; L431-M434 PolarHBondContact O-N 3.16Å; M434-R436 VanDerWaalsContact C-N 3.26Å; M434-R436 PolarHBondContact O-N 3.44Å; M434-Q437 WeakPolarHBondContact O-CB 3.35Å; M434-Q437 PolarHBondContact O-N 3.23Å; M434-F438 HydrophobicContact CG-CD2 3.85Å; M434-F438 HydrophobicContact CG-CE2 3.67Å; M434-F438 WeakPolarHBondContact O-CD2 3.31Å; M434-F438 PolarHBondContact O-N 3.49Å; M434-F438 HydrophobicContact SD-CE2 4.15Å
435M77.5Confident72.5Confident43 Ų4353.1 Ų53.121%0.21232%0.319CS..Hα-helixtrans-58.9-38.8177.7-68.6-150.6118.600112.3M406 L409 N410 M413 L431 Q432 F438 Q439M406-M435 HydrophobicContact CE-CB 4.18Å; M406-M435 HydrophobicContact CE-SD 3.91Å; L409-M435 HydrophobicContact CD2-CE 3.48Å; L409-M435 VanDerWaalsContact CD2-CE 3.48Å; L409-M435 HydrophobicContact CD2-SD 3.56Å; L409-M435 VanDerWaalsContact CD2-SD 3.56Å; N410-M435 PolarHBondContact OD1-SD 2.76Å; M413-M435 HydrophobicContact CE-CE 4.31Å; M413-M435 HydrophobicContact SD-CE 3.52Å; M413-M435 VanDerWaalsContact SD-CE 3.52Å; M413-M435 HydrophobicContact SD-SD 4.28Å; L431-M435 WeakPolarHBondContact O-CG 3.31Å; L431-M435 PolarHBondContact O-N 3.28Å; Q432-M435 PolarHBondContact O-N 2.96Å; M435-F438 PolarHBondContact O-N 3.07Å; M435-Q439 WeakPolarHBondContact O-CG 3.22Å; M435-Q439 PolarHBondContact O-N 3.39Å
436R77.4Confident70.6Confident147 Ų14757.4 Ų57.456%0.55534%0.34SS*.Hα-helixtrans-63.4-39.8174.3-76.1177.6175.9-179.8-0.7112.3Q432 S433 M434 Q439 Q440Q432-R436 WeakPolarHBondContact O-CG 3.37Å; Q432-R436 PolarHBondContact O-N 3.22Å; S433-R436 WeakPolarHBondContact O-CB 3.49Å; S433-R436 PolarHBondContact O-N 2.92Å; M434-R436 VanDerWaalsContact C-N 3.26Å; M434-R436 PolarHBondContact O-N 3.44Å; R436-Q439 PolarHBondContact O-N 3.3Å; R436-Q440 VanDerWaalsContact O-CG 3.32Å; R436-Q440 WeakPolarHBondContact O-CG 3.49Å; R436-Q440 PolarHBondContact O-N 3.35Å
437Q76.1Confident68.4Low76 Ų7663.2 Ų63.236%0.35535%0.351SS..Hα-helixtrans-65.8-42.3176.9-72.8175.2-12.500112I251 S433 M434 Q439 Q440 G441I251-Q437 HydrophobicContact CG1-CB 4.29Å; S433-Q437 WeakPolarHBondContact O-CG 3.35Å; S433-Q437 PolarHBondContact O-N 3.39Å; M434-Q437 WeakPolarHBondContact O-CB 3.35Å; M434-Q437 PolarHBondContact O-N 3.23Å; Q437-Q439 VanDerWaalsContact C-N 3.34Å; Q437-Q439 PolarHBondContact O-N 3.24Å; Q437-Q440 PolarHBondContact O-N 3.48Å; Q437-G441 PolarHBondContact O-N 2.98Å
438F74.8Confident66.2Low63 Ų6364.4 Ų64.428%0.27636%0.363SS..Hα-helixtrans-59.1-44.4173-86.4-77.2000112.2I251 L254 I255 M434 M435 Q440 G441 A442I251-F438 HydrophobicContact CD1-CD2 4.19Å; I251-F438 HydrophobicContact CD1-CE1 4.38Å; I251-F438 HydrophobicContact CD1-CE2 3.82Å; I251-F438 HydrophobicContact CD1-CZ 3.94Å; I251-F438 HydrophobicContact CG2-CD1 4.11Å; I251-F438 HydrophobicContact CG2-CE1 4.43Å; I251-F438 HydrophobicContact CG2-CG 4.36Å; L254-F438 HydrophobicContact CD2-CE1 3.5Å; L254-F438 HydrophobicContact CD2-CZ 3.35Å; L254-F438 HydrophobicContact CG-CE1 4.06Å; L254-F438 HydrophobicContact CG-CZ 4.38Å; I255-F438 HydrophobicContact CG1-CD1 4.49Å; M434-F438 HydrophobicContact CG-CD2 3.85Å; M434-F438 HydrophobicContact CG-CE2 3.67Å; M434-F438 WeakPolarHBondContact O-CD2 3.31Å; M434-F438 PolarHBondContact O-N 3.49Å; M434-F438 HydrophobicContact SD-CE2 4.15Å; M435-F438 PolarHBondContact O-N 3.07Å; F438-Q440 PolarHBondContact O-N 3.46Å; F438-G441 PolarHBondContact O-N 3.23Å; F438-A442 WeakPolarHBondContact O-CB 3.3Å; F438-A442 PolarHBondContact O-N 3.16Å
439Q72.1Confident64Low34 Ų3469.3 Ų69.316%0.15939%0.387CS..Hα-helixtrans-62.3-41.9177-74.4-179.1-22.500112.1M397 M435 R436 Q437 A443M397-Q439 HydrophobicContact CB-CG 4.44Å; M397-Q439 HydrophobicContact CE-CG 4.13Å; M435-Q439 WeakPolarHBondContact O-CG 3.22Å; M435-Q439 PolarHBondContact O-N 3.39Å; R436-Q439 PolarHBondContact O-N 3.3Å; Q437-Q439 VanDerWaalsContact C-N 3.34Å; Q437-Q439 PolarHBondContact O-N 3.24Å; Q439-A443 WeakPolarHBondContact O-CB 3.36Å; Q439-A443 PolarHBondContact O-N 3.04Å
440Q73.2Confident61.8Low137 Ų13773.3 Ų73.364%0.6440%0.395SS*.Hα-helixtrans-68.6-42.1178.4-72.7173.923.200112.5R436 Q437 F438 A443 G444R436-Q440 VanDerWaalsContact O-CG 3.32Å; R436-Q440 WeakPolarHBondContact O-CG 3.49Å; R436-Q440 PolarHBondContact O-N 3.35Å; Q437-Q440 PolarHBondContact O-N 3.48Å; F438-Q440 PolarHBondContact O-N 3.46Å; Q440-A443 PolarHBondContact O-N 3.5Å; Q440-G444 PolarHBondContact O-N 3.47Å
441G66.9Low59.6Low21 Ų2175 Ų7522%0.21641%0.413CS..Hα-helixtrans-63.1-41.617600000112.2I255 Q437 F438 G444 N445I255-G441 VanDerWaalsContact CD1-C 3.41Å; Q437-G441 PolarHBondContact O-N 2.98Å; F438-G441 PolarHBondContact O-N 3.23Å; G441-G444 PolarHBondContact O-N 2.77Å; G441-N445 PolarHBondContact O-N 2.92Å
442A60Low57.6Low41 Ų4183.5 Ų83.534%0.33945%0.45SS..Hα-helixtrans-66.3-39.2177.300000112F438 M446F438-A442 WeakPolarHBondContact O-CB 3.3Å; F438-A442 PolarHBondContact O-N 3.16Å; A442-M446 PolarHBondContact O-N 2.96Å
443A54.4Low55.4Low35 Ų3586.9 Ų86.929%0.28947%0.471SS..Hα-helixtrans-68.7-33.7175.800000112.9Q439 Q440 M446 K447Q439-A443 WeakPolarHBondContact O-CB 3.36Å; Q439-A443 PolarHBondContact O-N 3.04Å; Q440-A443 PolarHBondContact O-N 3.5Å; A443-M446 PolarHBondContact O-N 3.22Å; A443-K447 PolarHBondContact O-N 3.08Å; A443-K447 VanDerWaalsContact O-N 3.15Å
444G48.9Very low53Low44 Ų4491.2 Ų91.245%0.45449%0.489SS..Hα-helixtrans-61.5-43.1176.400000112.8Q440 G441 M446 K447 G448Q440-G444 PolarHBondContact O-N 3.47Å; G441-G444 PolarHBondContact O-N 2.77Å; G444-M446 VanDerWaalsContact C-N 3.34Å; G444-M446 PolarHBondContact O-N 2.76Å; G444-K447 PolarHBondContact O-N 2.62Å; G444-G448 PolarHBondContact O-N 3.48Å; G444-G448 VanDerWaalsContact O-N 3.13Å
445N44.2Very low50.7Low78 Ų78102.5 Ų102.542%0.41755%0.545SS..Hα-helixtrans-68.1-34178.5-128.9-0.8000112.1N259 G441 K447 G448 M449N259-N445 PolarHBondContact ND2-ND2 3.47Å; G441-N445 PolarHBondContact O-N 2.92Å; N445-K447 PolarHBondContact O-N 3.06Å; N445-G448 PolarHBondContact O-N 3.36Å; N445-M449 PolarHBondContact O-N 3.37Å
446M36.1Very low49.3Very low106 Ų106105.5 Ų105.552%0.52256%0.561SS.*Hα-helixtrans-67.9-33.1175.3-127.5-175.7-77.400112.7A442 A443 G444 M450A442-M446 PolarHBondContact O-N 2.96Å; A443-M446 PolarHBondContact O-N 3.22Å; G444-M446 VanDerWaalsContact C-N 3.34Å; G444-M446 PolarHBondContact O-N 2.76Å; M446-M450 WeakPolarHBondContact O-CG 3.42Å; M446-M450 PolarHBondContact O-N 2.97Å; M446-M450 VanDerWaalsContact O-N 3.16Å
447K33.4Very low47.8Very low174 Ų174103.3 Ų103.376%0.75756%0.562SS**Hα-helixtrans-73.3-35.6175.1-113.6-174.8177.5-174.50112.8A443 G444 N445 M449 G451A443-K447 PolarHBondContact O-N 3.08Å; A443-K447 VanDerWaalsContact O-N 3.15Å; G444-K447 PolarHBondContact O-N 2.62Å; N445-K447 PolarHBondContact O-N 3.06Å; K447-M449 VanDerWaalsContact C-N 3.28Å; K447-M449 PolarHBondContact O-N 3.11Å; K447-G451 PolarHBondContact O-N 3Å; K447-G451 VanDerWaalsContact O-N 3.11Å
448G35.9Very low46.3Very low45 Ų45104.8 Ų104.846%0.46457%0.573SS.*Hα-helixtrans-64.1-34173.400000112.8G444 N445G444-G448 PolarHBondContact O-N 3.48Å; G444-G448 VanDerWaalsContact O-N 3.13Å; N445-G448 PolarHBondContact O-N 3.36Å
449M35.6Very low44.6Very low166 Ų166107.3 Ų107.382%0.81859%0.59SS**Hα-helixtrans-80.4-30.5179.7-139.1174.9174.800113.5N445 K447N445-M449 PolarHBondContact O-N 3.37Å; K447-M449 VanDerWaalsContact C-N 3.28Å; K447-M449 PolarHBondContact O-N 3.11Å
450M34.6Very low42.9Very low155 Ų155111.9 Ų111.976%0.76462%0.617SS**Hα-helixtrans-81.5-16.4174-76.1-84.9-15600113.6M446 F452M446-M450 WeakPolarHBondContact O-CG 3.42Å; M446-M450 PolarHBondContact O-N 2.97Å; M446-M450 VanDerWaalsContact O-N 3.16Å; M450-F452 VanDerWaalsContact C-N 3.34Å
451G33.5Very low40.9Very low54 Ų54110.2 Ų110.256%0.55762%0.616SS**THydrogen-bonded Turntrans-79.9-8.7-17900000115.4K447K447-G451 PolarHBondContact O-N 3Å; K447-G451 VanDerWaalsContact O-N 3.11Å
452F37.9Very low39Very low183 Ų183116.6 Ų116.680%0.80364%0.644SS**THydrogen-bonded Turntrans-99.25.9-179.9-95.7-81.1000114.5M450M450-F452 VanDerWaalsContact C-N 3.34Å
453N34.3Very low37.4Very low147 Ų147122.4 Ų122.479%0.78667%0.668SS**SBendtrans-113.115.1-179.8-112.115.7000114.1
454N29Very low36Very low151 Ų151129.7 Ų129.781%0.80770%0.699SS**  trans-145.761.6174.5-91.1-18000111
455M28.3Very low34.8Very low253 Ų253137.5 Ų137.5100%1.24672%0.722SS**  trans-171.70154-107-178.3-90.900107

Retrieved 455 of 455 residues in 629.6 ms (Link to these results)

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