A0A087Y1M6_POEFO Loading...

Transmembrane protein 174

AlphaFold DB , UniProt , Accession A0A087Y1M6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 228 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.9Very low43.8Very low245 Ų245150.2 Ų150.2100%1.20781%0.807SS**  0-177.20-79176.4134.900108.7
2L42.1Very low43.7Very low169 Ų169146.7 Ų146.789%0.88580%0.799SS**  trans-49.8151175.9-75.160.1000110.6
3G42.4Very low44.3Very low77 Ų77145.3 Ų145.379%0.79480%0.797SS**  92146.854.700000108.4
4Q39.5Very low44.5Very low194 Ų194141.5 Ų141.591%0.90779%0.786SS**  cis-150.4157.414.2-173.2173.310.100108.8H6Q4-H6 PolarHBondContact O-N 3.15Å
5R44.6Very low45Very low229 Ų229138.6 Ų138.686%0.86478%0.776SS**  trans-72.9121.6177.1-62.5177.6-173.6160.21110.1V7R5-V7 PolarHBondContact O-N 3.33Å
6H40.2Very low45.1Very low187 Ų187137.4 Ų137.487%0.86678%0.776SS**  trans-8593.6159.6-152.1-33.5000108.4Q4 G8Q4-H6 PolarHBondContact O-N 3.15Å; H6-G8 PolarHBondContact O-N 2.62Å
7V45.9Very low45.3Very low98 Ų98137.1 Ų137.159%0.59477%0.767SS**  trans-70.8124.1162.51740000106.4R5 T9R5-V7 PolarHBondContact O-N 3.33Å; V7-T9 PolarHBondContact O-N 2.87Å
8G44.3Very low45.6Very low57 Ų57138.2 Ų138.259%0.58877%0.769SS**  trans-76.5105.9162.200000107.4H6 D10H6-G8 PolarHBondContact O-N 2.62Å; G8-D10 PolarHBondContact O-N 3.12Å
9T45.1Very low45.7Very low113 Ų113135.7 Ų135.769%0.69376%0.762SS**  trans-80.280.6173.3-51.80000108.1V7 I11V7-T9 PolarHBondContact O-N 2.87Å; T9-I11 HydrophobicContact CG2-CG1 4.25Å; T9-I11 PolarHBondContact O-N 3.27Å
10D47.7Very low45.8Very low154 Ų154133.5 Ų133.582%0.82475%0.749SS**  trans-60.9103.9165.4-72.1-40.7000107.7G8 P12G8-D10 PolarHBondContact O-N 3.12Å; D10-P12 WeakPolarHBondContact O-CD 2.92Å
11I52.3Low46.1Very low129 Ų129129.5 Ų129.566%0.66274%0.738SS**  trans-77.8113.2173.7-61.5176.3000106.6T9 V13T9-I11 HydrophobicContact CG2-CG1 4.25Å; T9-I11 PolarHBondContact O-N 3.27Å; I11-V13 HydrophobicContact CG2-CG2 4.41Å; I11-V13 PolarHBondContact O-N 3.34Å
12P43Very low46.7Very low108 Ų108123.8 Ų123.870%0.70171%0.711SS**  trans-67.9100.316829.2-32.5000107.6D10 S14D10-P12 WeakPolarHBondContact O-CD 2.92Å; P12-S14 PolarHBondContact O-N 3.2Å
13V50.8Low47.2Very low129 Ų129121.2 Ų121.278%0.78270%0.696SS**  trans-70.384.4166.9179.80000106.8I11I11-V13 HydrophobicContact CG2-CG2 4.41Å; I11-V13 PolarHBondContact O-N 3.34Å
14S47.9Very low48.1Very low92 Ų92122 Ų12264%0.64368%0.682SS**PPolyproline II helixtrans-54.8125.6175.5-61.70000109.3P12P12-S14 PolarHBondContact O-N 3.2Å
15P50.8Low49.4Very low98 Ų98114.4 Ų114.464%0.63666%0.656SS**PPolyproline II helixtrans-56.5143.2170.8-2333.7000109.8H17P15-H17 PolarHBondContact O-N 3.17Å; P15-H17 VanDerWaalsContact O-N 3.13Å
16P46.7Very low50.8Low119 Ų119108 Ų10877%0.77364%0.636SS**PPolyproline II helixtrans-60.9120.717325.5-32.8000109.1L18P16-L18 PolarHBondContact O-N 2.85Å
17H49.4Very low52.6Low133 Ų133103.6 Ų103.662%0.61662%0.622SS**  trans-69.971.7177.3-91.5-120.1000110.9P15 S19 D20P15-H17 PolarHBondContact O-N 3.17Å; P15-H17 VanDerWaalsContact O-N 3.13Å; H17-S19 PolarHBondContact O-N 2.83Å; H17-D20 HydrophobicContact CB-CB 4.27Å; H17-D20 IonicContact CE1-OD2 3.76Å; H17-D20 IonicContact CG-OD1 3.81Å; H17-D20 IonicContact CG-OD2 3.65Å; H17-D20 IonicContact ND1-OD1 3.04Å; H17-D20 PolarHBondContact ND1-OD1 3.07Å; H17-D20 IonicContact ND1-OD2 2.8Å; H17-D20 PolarHBondContact ND1-OD2 3.24Å; H17-D20 PolarHBondContact O-N 3.11Å
18L50.9Low54.3Low156 Ų156102.1 Ų102.182%0.81761%0.614SS**THydrogen-bonded Turntrans-66.8-22.8179.5-157.275.9000112.1P16P16-L18 PolarHBondContact O-N 2.85Å
19S47.5Very low55.8Low91 Ų91101.6 Ų101.664%0.63659%0.594SS**THydrogen-bonded Turntrans-73.8-44178.9-51.70000112.7H17 G21 L22 M23H17-S19 PolarHBondContact O-N 2.83Å; S19-G21 PolarHBondContact O-N 2.93Å; S19-L22 WeakPolarHBondContact O-CB 3.38Å; S19-L22 PolarHBondContact O-N 2.85Å; S19-L22 VanDerWaalsContact O-N 3.11Å; S19-M23 PolarHBondContact O-N 2.91Å
20D47.7Very low57.6Low91 Ų9198.8 Ų98.849%0.48758%0.582SS.*Hα-helixtrans-66.6-41-171.4-58.623.9000110.9H17 L22 M23 D24H17-D20 HydrophobicContact CB-CB 4.27Å; H17-D20 IonicContact CE1-OD2 3.76Å; H17-D20 IonicContact CG-OD1 3.81Å; H17-D20 IonicContact CG-OD2 3.65Å; H17-D20 IonicContact ND1-OD1 3.04Å; H17-D20 PolarHBondContact ND1-OD1 3.07Å; H17-D20 IonicContact ND1-OD2 2.8Å; H17-D20 PolarHBondContact ND1-OD2 3.24Å; H17-D20 PolarHBondContact O-N 3.11Å; D20-L22 PolarHBondContact O-N 3.23Å; D20-M23 PolarHBondContact O-N 3.23Å; D20-D24 WeakPolarHBondContact O-CB 3.42Å; D20-D24 PolarHBondContact O-N 3.47Å
21G51.7Low59.3Low50 Ų5094.2 Ų94.252%0.51557%0.566SS.*Hα-helixtrans-64.8-16.6175.400000114.7S19 G25S19-G21 PolarHBondContact O-N 2.93Å; G21-G25 PolarHBondContact O-N 3.28Å
22L49.9Very low60.7Low125 Ų12591.2 Ų91.265%0.65455%0.551SS**Hα-helixtrans-78.2-49.2173.2-165.775.4000110.7S19 D20 G25 E26S19-L22 WeakPolarHBondContact O-CB 3.38Å; S19-L22 PolarHBondContact O-N 2.85Å; S19-L22 VanDerWaalsContact O-N 3.11Å; D20-L22 PolarHBondContact O-N 3.23Å; L22-G25 PolarHBondContact O-N 3.47Å; L22-E26 PolarHBondContact O-N 3.19Å; L22-E26 VanDerWaalsContact O-N 3.13Å
23M52.8Low62.6Low116 Ų11688.3 Ų88.357%0.57153%0.529SS*.Hα-helixtrans-67.4-38.5177.7-71.2-94.969.800112.2S19 D20 E26 T27S19-M23 PolarHBondContact O-N 2.91Å; D20-M23 PolarHBondContact O-N 3.23Å; M23-E26 WeakPolarHBondContact CE-OE2 3.35Å; M23-E26 PolarHBondContact O-N 2.97Å; M23-T27 WeakPolarHBondContact O-CB 3.49Å; M23-T27 PolarHBondContact O-N 3.3Å; M23-T27 PolarHBondContact O-OG1 2.9Å
24D61.7Low64.2Low92 Ų9286.9 Ų86.949%0.49252%0.517SS..Hα-helixtrans-63.8-43.1169.6178.631000111D20 E26 T27 T28D20-D24 WeakPolarHBondContact O-CB 3.42Å; D20-D24 PolarHBondContact O-N 3.47Å; D24-E26 PolarHBondContact O-N 2.98Å; D24-T27 PolarHBondContact O-N 2.99Å; D24-T27 VanDerWaalsContact O-N 3.1Å; D24-T28 WeakPolarHBondContact O-CB 3.3Å; D24-T28 PolarHBondContact O-N 2.97Å; D24-T28 PolarHBondContact O-OG1 3.08Å; D24-T28 PolarHBondContact OD1-OG1 3.23Å
25G66.7Low66Low36 Ų3684.7 Ų84.737%0.37150%0.501SS..Hα-helixtrans-54.2-38.6176.100000113.7G21 L22 R29G21-G25 PolarHBondContact O-N 3.28Å; L22-G25 PolarHBondContact O-N 3.47Å; G25-R29 WeakPolarHBondContact O-CB 3.41Å; G25-R29 PolarHBondContact O-N 3.26Å
26E73.8Confident67.6Low94 Ų9480 Ų8044%0.43947%0.471SS..Hα-helixtrans-76.1-42.4174.7-64.4-172.3128.600112.7L22 M23 D24 R29 A30 F85L22-E26 PolarHBondContact O-N 3.19Å; L22-E26 VanDerWaalsContact O-N 3.13Å; M23-E26 WeakPolarHBondContact CE-OE2 3.35Å; M23-E26 PolarHBondContact O-N 2.97Å; D24-E26 PolarHBondContact O-N 2.98Å; E26-R29 PolarHBondContact O-N 3.29Å; E26-A30 PolarHBondContact O-N 3.39Å; E26-F85 HydrophobicContact CG-CZ 4.22Å
27T79.1Confident69.5Low94 Ų9477.4 Ų77.458%0.57745%0.453SS*.Hα-helixtrans-66.2-50.3-179.3-56.90000111.7M23 D24 R29 A30 A31M23-T27 WeakPolarHBondContact O-CB 3.49Å; M23-T27 PolarHBondContact O-N 3.3Å; M23-T27 PolarHBondContact O-OG1 2.9Å; D24-T27 PolarHBondContact O-N 2.99Å; D24-T27 VanDerWaalsContact O-N 3.1Å; T27-R29 VanDerWaalsContact C-N 3.29Å; T27-R29 PolarHBondContact O-N 3.05Å; T27-A30 WeakPolarHBondContact O-CB 3.2Å; T27-A30 PolarHBondContact O-N 2.98Å; T27-A30 VanDerWaalsContact O-N 3.16Å; T27-A31 PolarHBondContact O-N 3.42Å
28T80.6Confident71.3Confident67 Ų6777 Ų7741%0.41145%0.449SS..Hα-helixtrans-55.8-44.9172.2-77.70000110.4D24 A30 A31 L32D24-T28 WeakPolarHBondContact O-CB 3.3Å; D24-T28 PolarHBondContact O-N 2.97Å; D24-T28 PolarHBondContact O-OG1 3.08Å; D24-T28 PolarHBondContact OD1-OG1 3.23Å; T28-A30 PolarHBondContact O-N 3.4Å; T28-A31 WeakPolarHBondContact O-CB 3.33Å; T28-A31 PolarHBondContact O-N 3.17Å; T28-L32 HydrophobicContact CG2-CD1 4.34Å; T28-L32 HydrophobicContact CG2-CG 4.46Å; T28-L32 WeakPolarHBondContact O-CG 3.5Å; T28-L32 PolarHBondContact O-N 3.27Å
29R75.7Confident73.1Confident47 Ų4772 Ų7218%0.17742%0.423CS..Hα-helixtrans-64.7-35.3177.1168.8-99.1-159.774.537.4113.3G25 E26 T27 L32 L33 S81 F85G25-R29 WeakPolarHBondContact O-CB 3.41Å; G25-R29 PolarHBondContact O-N 3.26Å; E26-R29 PolarHBondContact O-N 3.29Å; T27-R29 VanDerWaalsContact C-N 3.29Å; T27-R29 PolarHBondContact O-N 3.05Å; R29-L32 PolarHBondContact O-N 2.93Å; R29-L33 WeakPolarHBondContact O-CG 3.34Å; R29-L33 PolarHBondContact O-N 3.25Å; R29-L33 VanDerWaalsContact O-N 3.1Å; R29-S81 PolarHBondContact O-OG 3.21Å; R29-F85 HydrophobicContact CB-CE2 3.8Å; R29-F85 HydrophobicContact CG-CD2 3.81Å; R29-F85 HydrophobicContact CG-CE2 3.16Å; R29-F85 HydrophobicContact CG-CZ 4.08Å
30A82.6Confident74.9Confident54 Ų5469.2 Ų69.245%0.44641%0.406SS..Hα-helixtrans-66.1-41.2171.100000111.9E26 T27 T28 L33 L34E26-A30 PolarHBondContact O-N 3.39Å; T27-A30 WeakPolarHBondContact O-CB 3.2Å; T27-A30 PolarHBondContact O-N 2.98Å; T27-A30 VanDerWaalsContact O-N 3.16Å; T28-A30 PolarHBondContact O-N 3.4Å; A30-L33 PolarHBondContact O-N 3.12Å; A30-L34 WeakPolarHBondContact O-CB 3.45Å; A30-L34 PolarHBondContact O-N 3.14Å
31A84.6Confident76.7Confident58 Ų5870.2 Ų70.248%0.47941%0.409SS..Hα-helixtrans-64.2-37.2174.100000112.6T27 T28 L34 S35T27-A31 PolarHBondContact O-N 3.42Å; T28-A31 WeakPolarHBondContact O-CB 3.33Å; T28-A31 PolarHBondContact O-N 3.17Å; A31-L34 PolarHBondContact O-N 2.86Å; A31-S35 VanDerWaalsContact O-CB 3.29Å; A31-S35 WeakPolarHBondContact O-CB 3.41Å; A31-S35 PolarHBondContact O-N 3.06Å
32L81.4Confident78.4Confident66 Ų6670.8 Ų70.835%0.34640%0.402SS..Hα-helixtrans-62.5-44.2172.8-67.5174.3000111.6T28 R29 G36 F77T28-L32 HydrophobicContact CG2-CD1 4.34Å; T28-L32 HydrophobicContact CG2-CG 4.46Å; T28-L32 WeakPolarHBondContact O-CG 3.5Å; T28-L32 PolarHBondContact O-N 3.27Å; R29-L32 PolarHBondContact O-N 2.93Å; L32-G36 PolarHBondContact O-N 3.47Å; L32-F77 HydrophobicContact CB-CE1 4.21Å; L32-F77 HydrophobicContact CD2-CD1 4.34Å; L32-F77 HydrophobicContact CD2-CE1 3.37Å; L32-F77 HydrophobicContact CD2-CE2 4.38Å; L32-F77 HydrophobicContact CD2-CZ 3.4Å; L32-F77 VanDerWaalsContact CD2-CZ 3.4Å; L32-F77 HydrophobicContact CG-CE1 4.39Å; L32-F77 WeakPolarHBondContact O-CD1 3.29Å
33L83Confident80.2Confident47 Ų4764.9 Ų64.925%0.24637%0.371CS..Hα-helixtrans-61.8-47.9174.6-68.5171.9000111.4R29 A30 S35 G36 V37 M78 S81 V82R29-L33 WeakPolarHBondContact O-CG 3.34Å; R29-L33 PolarHBondContact O-N 3.25Å; R29-L33 VanDerWaalsContact O-N 3.1Å; A30-L33 PolarHBondContact O-N 3.12Å; L33-S35 PolarHBondContact O-N 3.48Å; L33-G36 CarbonylContact O-C 3.57Å; L33-G36 WeakPolarHBondContact O-CA 3.36Å; L33-G36 PolarHBondContact O-N 2.98Å; L33-G36 VanDerWaalsContact O-N 3.08Å; L33-V37 PolarHBondContact O-N 3.33Å; L33-M78 HydrophobicContact CB-SD 4.18Å; L33-M78 HydrophobicContact CD2-SD 3.56Å; L33-M78 VanDerWaalsContact CD2-SD 3.56Å; L33-M78 HydrophobicContact CG-SD 4.48Å; L33-M78 WeakPolarHBondContact O-CE 3.27Å; L33-S81 WeakPolarHBondContact CD2-OG 3.32Å; L33-S81 WeakPolarHBondContact CG-OG 3.43Å; L33-V82 HydrophobicContact CD2-CG1 3.86Å
34L84.6Confident81.7Confident98 Ų9863 Ų6351%0.51337%0.366SS..Hα-helixtrans-61.1-43.4-179.5-175.366.3000112A30 A31 G36 V37 F38A30-L34 WeakPolarHBondContact O-CB 3.45Å; A30-L34 PolarHBondContact O-N 3.14Å; A31-L34 PolarHBondContact O-N 2.86Å; L34-G36 VanDerWaalsContact C-N 3.32Å; L34-G36 PolarHBondContact O-N 3.39Å; L34-V37 WeakPolarHBondContact O-CB 3.35Å; L34-V37 PolarHBondContact O-N 2.71Å; L34-F38 HydrophobicContact CD1-CD2 4.28Å; L34-F38 HydrophobicContact CD1-CE2 3.74Å; L34-F38 HydrophobicContact CD1-CZ 4.46Å; L34-F38 HydrophobicContact CD2-CE2 4.2Å; L34-F38 HydrophobicContact CG-CD2 4.01Å; L34-F38 HydrophobicContact CG-CE2 3.69Å; L34-F38 VanDerWaalsContact O-CD2 3.24Å; L34-F38 WeakPolarHBondContact O-CD2 3.44Å; L34-F38 PolarHBondContact O-N 2.85Å
35S84.4Confident82.8Confident46 Ų4661.6 Ų61.632%0.32236%0.361SS..Hα-helixtrans-58.5-43.5171.8-177.20000111.6A31 L33 V37 F38 L39A31-S35 VanDerWaalsContact O-CB 3.29Å; A31-S35 WeakPolarHBondContact O-CB 3.41Å; A31-S35 PolarHBondContact O-N 3.06Å; L33-S35 PolarHBondContact O-N 3.48Å; S35-V37 PolarHBondContact O-N 2.95Å; S35-F38 PolarHBondContact O-N 2.89Å; S35-L39 WeakPolarHBondContact O-CD1 3.42Å; S35-L39 PolarHBondContact O-N 3.48Å
36G85.6Confident83.5Confident0 Ų064.1 Ų64.10%036%0.362CS..Hα-helixtrans-58.8-41173.100000113.7L32 L33 L34 A40L32-G36 PolarHBondContact O-N 3.47Å; L33-G36 CarbonylContact O-C 3.57Å; L33-G36 WeakPolarHBondContact O-CA 3.36Å; L33-G36 PolarHBondContact O-N 2.98Å; L33-G36 VanDerWaalsContact O-N 3.08Å; L34-G36 VanDerWaalsContact C-N 3.32Å; L34-G36 PolarHBondContact O-N 3.39Å; G36-A40 WeakPolarHBondContact O-CB 3.04Å; G36-A40 PolarHBondContact O-N 2.85Å
37V86.6Confident84Confident65 Ų6562.2 Ų62.239%0.39436%0.357SS..Hα-helixtrans-61.1-49.2173-178.40000110.3L33 L34 S35 A40 M41 M78L33-V37 PolarHBondContact O-N 3.33Å; L34-V37 WeakPolarHBondContact O-CB 3.35Å; L34-V37 PolarHBondContact O-N 2.71Å; S35-V37 PolarHBondContact O-N 2.95Å; V37-A40 PolarHBondContact O-N 2.88Å; V37-M41 HydrophobicContact CG1-CG 4.05Å; V37-M41 WeakPolarHBondContact O-CB 3.25Å; V37-M41 VanDerWaalsContact O-CG 3.32Å; V37-M41 WeakPolarHBondContact O-CG 3.17Å; V37-M41 PolarHBondContact O-N 3.26Å; V37-M78 HydrophobicContact CB-CE 4.29Å; V37-M78 HydrophobicContact CG2-CE 3.28Å
38F87.6Confident84Confident124 Ų12460.4 Ų60.454%0.54435%0.352SS..Hα-helixtrans-63.2-43.8-178.3-77.3-61.5000112.2L34 S35 A40 M41 V42L34-F38 HydrophobicContact CD1-CD2 4.28Å; L34-F38 HydrophobicContact CD1-CE2 3.74Å; L34-F38 HydrophobicContact CD1-CZ 4.46Å; L34-F38 HydrophobicContact CD2-CE2 4.2Å; L34-F38 HydrophobicContact CG-CD2 4.01Å; L34-F38 HydrophobicContact CG-CE2 3.69Å; L34-F38 VanDerWaalsContact O-CD2 3.24Å; L34-F38 WeakPolarHBondContact O-CD2 3.44Å; L34-F38 PolarHBondContact O-N 2.85Å; S35-F38 PolarHBondContact O-N 2.89Å; F38-A40 PolarHBondContact O-N 2.92Å; F38-M41 PolarHBondContact O-N 3.15Å; F38-V42 WeakPolarHBondContact O-CB 3.31Å; F38-V42 VanDerWaalsContact O-CG2 3.24Å; F38-V42 WeakPolarHBondContact O-CG2 3.43Å; F38-V42 PolarHBondContact O-N 3.31Å
39L87Confident83.7Confident51 Ų5163.1 Ų63.127%0.26736%0.361SS..Hα-helixtrans-61.4-42.3174.9-94.867.8000112.1S35 G43 L70 V73S35-L39 WeakPolarHBondContact O-CD1 3.42Å; S35-L39 PolarHBondContact O-N 3.48Å; L39-G43 PolarHBondContact O-N 3.25Å; L39-L70 HydrophobicContact CG-CD2 4.17Å; L39-V73 HydrophobicContact CD2-CG1 3.91Å
40A85.9Confident83.5Confident32 Ų3261.3 Ų61.326%0.26436%0.357SS..Hα-helixtrans-65.7-44.717700000112.2G36 V37 F38 V42 G43 V44G36-A40 WeakPolarHBondContact O-CB 3.04Å; G36-A40 PolarHBondContact O-N 2.85Å; V37-A40 PolarHBondContact O-N 2.88Å; F38-A40 PolarHBondContact O-N 2.92Å; A40-V42 PolarHBondContact O-N 2.93Å; A40-G43 PolarHBondContact O-N 2.93Å; A40-V44 WeakPolarHBondContact O-CB 3.24Å; A40-V44 VanDerWaalsContact O-CG2 3.32Å; A40-V44 WeakPolarHBondContact O-CG2 3.49Å; A40-V44 PolarHBondContact O-N 3.33Å
41M86.5Confident82.8Confident113 Ų11369.4 Ų69.456%0.55738%0.376SS*.Hα-helixtrans-64.2-38.7177.1-74.5-64.1-64.100112.6V37 F38 T45V37-M41 HydrophobicContact CG1-CG 4.05Å; V37-M41 WeakPolarHBondContact O-CB 3.25Å; V37-M41 VanDerWaalsContact O-CG 3.32Å; V37-M41 WeakPolarHBondContact O-CG 3.17Å; V37-M41 PolarHBondContact O-N 3.26Å; F38-M41 PolarHBondContact O-N 3.15Å; M41-T45 WeakPolarHBondContact O-CG2 3.33Å; M41-T45 PolarHBondContact O-N 2.88Å; M41-T45 PolarHBondContact O-OG1 3.31Å
42V86.3Confident81.8Confident62 Ų6274 Ų7438%0.37639%0.388SS..Hα-helixtrans-68.7-43.3174172.80000110.4F38 A40 V44 T45 F46 L70F38-V42 WeakPolarHBondContact O-CB 3.31Å; F38-V42 VanDerWaalsContact O-CG2 3.24Å; F38-V42 WeakPolarHBondContact O-CG2 3.43Å; F38-V42 PolarHBondContact O-N 3.31Å; A40-V42 PolarHBondContact O-N 2.93Å; V42-V44 PolarHBondContact O-N 3.34Å; V42-T45 WeakPolarHBondContact CA-OG1 3.39Å; V42-T45 PolarHBondContact O-N 2.99Å; V42-T45 PolarHBondContact O-OG1 3.47Å; V42-T45 VanDerWaalsContact O-OG1 3.09Å; V42-F46 HydrophobicContact CG1-CD2 3.79Å; V42-F46 HydrophobicContact CG1-CE2 4.01Å; V42-F46 WeakPolarHBondContact O-CB 3.42Å; V42-F46 WeakPolarHBondContact O-CD2 3.47Å; V42-F46 PolarHBondContact O-N 2.9Å; V42-L70 HydrophobicContact CG1-CD1 4.23Å
43G87Confident80.7Confident0 Ų077.4 Ų77.40%040%0.401CS..Hα-helixtrans-62.9-40.117600000113.7L39 A40 T47 G67L39-G43 PolarHBondContact O-N 3.25Å; A40-G43 PolarHBondContact O-N 2.93Å; G43-T47 WeakPolarHBondContact O-CB 3.48Å; G43-T47 PolarHBondContact O-N 3.44Å; G43-T47 PolarHBondContact O-OG1 3.3Å; G43-G67 WeakPolarHBondContact O-CA 3.47Å
44V85.3Confident79.5Confident77 Ų7781.4 Ų81.447%0.46741%0.414SS..Hα-helixtrans-66.5-43.8174.2169.20000111.4A40 V42 T47 A48 I71A40-V44 WeakPolarHBondContact O-CB 3.24Å; A40-V44 VanDerWaalsContact O-CG2 3.32Å; A40-V44 WeakPolarHBondContact O-CG2 3.49Å; A40-V44 PolarHBondContact O-N 3.33Å; V42-V44 PolarHBondContact O-N 3.34Å; V44-T47 PolarHBondContact O-N 3.09Å; V44-A48 WeakPolarHBondContact O-CB 3.46Å; V44-A48 PolarHBondContact O-N 2.86Å; V44-I71 HydrophobicContact CG2-CD1 3.91Å; V44-I71 HydrophobicContact CG2-CG1 4.15Å
45T85.3Confident78.1Confident63 Ų6386.7 Ų86.739%0.38744%0.436SS..Hα-helixtrans-68.3-37.3177.447.60000112.6M41 V42 A48 M49M41-T45 WeakPolarHBondContact O-CG2 3.33Å; M41-T45 PolarHBondContact O-N 2.88Å; M41-T45 PolarHBondContact O-OG1 3.31Å; V42-T45 WeakPolarHBondContact CA-OG1 3.39Å; V42-T45 PolarHBondContact O-N 2.99Å; V42-T45 PolarHBondContact O-OG1 3.47Å; V42-T45 VanDerWaalsContact O-OG1 3.09Å; T45-A48 PolarHBondContact O-N 3.01Å; T45-M49 WeakPolarHBondContact O-CB 3.32Å; T45-M49 VanDerWaalsContact O-CG 3.29Å; T45-M49 WeakPolarHBondContact O-CG 3.44Å; T45-M49 PolarHBondContact O-N 3.39Å
46F81.4Confident76.6Confident88 Ų8888.5 Ų88.539%0.38645%0.454SS..Hα-helixtrans-61.2-41.7169.4-97.7-84.7000112.5V42 G50 L66 L70V42-F46 HydrophobicContact CG1-CD2 3.79Å; V42-F46 HydrophobicContact CG1-CE2 4.01Å; V42-F46 WeakPolarHBondContact O-CB 3.42Å; V42-F46 WeakPolarHBondContact O-CD2 3.47Å; V42-F46 PolarHBondContact O-N 2.9Å; F46-G50 PolarHBondContact O-N 2.81Å; F46-L66 HydrophobicContact CD1-CD2 4.5Å; F46-L66 HydrophobicContact CE1-CD2 4.32Å; F46-L70 HydrophobicContact CD2-CD1 4.46Å
47T83.7Confident75.1Confident54 Ų5494.4 Ų94.433%0.33149%0.485SS..Hα-helixtrans-63.8-45.1176.7-540000111.2G43 V44 G50 W51 G67G43-T47 WeakPolarHBondContact O-CB 3.48Å; G43-T47 PolarHBondContact O-N 3.44Å; G43-T47 PolarHBondContact O-OG1 3.3Å; V44-T47 PolarHBondContact O-N 3.09Å; T47-G50 PolarHBondContact O-N 3.02Å; T47-W51 PolarHBondContact O-N 3.47Å; T47-G67 WeakPolarHBondContact OG1-CA 3.34Å
48A78.8Confident73.6Confident57 Ų5799.7 Ų99.747%0.47151%0.51SS..Hα-helixtrans-69.4-42.3-179.800000113V44 T45 G50 W51 H52V44-A48 WeakPolarHBondContact O-CB 3.46Å; V44-A48 PolarHBondContact O-N 2.86Å; T45-A48 PolarHBondContact O-N 3.01Å; A48-G50 VanDerWaalsContact C-N 3.32Å; A48-W51 PolarHBondContact O-N 3.5Å; A48-H52 WeakPolarHBondContact O-CB 3.46Å; A48-H52 PolarHBondContact O-N 2.89Å
49M74.6Confident72Confident123 Ų12396.6 Ų96.661%0.60651%0.513SS*.Hα-helixtrans-63.1-41172.4-71.8-176.2-171.200111.1T45 W51 H52 H53T45-M49 WeakPolarHBondContact O-CB 3.32Å; T45-M49 VanDerWaalsContact O-CG 3.29Å; T45-M49 WeakPolarHBondContact O-CG 3.44Å; T45-M49 PolarHBondContact O-N 3.39Å; M49-W51 VanDerWaalsContact C-N 3.28Å; M49-W51 PolarHBondContact O-N 2.87Å; M49-H52 PolarHBondContact O-N 3.39Å; M49-H53 PolarHBondContact O-N 3.17Å
50G72Confident70.5Confident10 Ų1096.2 Ų96.210%0.10351%0.509CS..Hα-helixtrans-62.2-34.5175.700000113.5F46 T47 A48F46-G50 PolarHBondContact O-N 2.81Å; T47-G50 PolarHBondContact O-N 3.02Å; A48-G50 VanDerWaalsContact C-N 3.32Å
51W67.1Low69.2Low223 Ų223101.4 Ų101.485%0.84553%0.528SS*.Hα-helixtrans-72.6-36.3174.6-163-88.4000113.2T47 A48 M49T47-W51 PolarHBondContact O-N 3.47Å; A48-W51 PolarHBondContact O-N 3.5Å; M49-W51 VanDerWaalsContact C-N 3.28Å; M49-W51 PolarHBondContact O-N 2.87Å
52H64Low68.2Low156 Ų156105.9 Ų105.972%0.72254%0.539SS*.Hα-helixtrans-93.6-32.4-171.3-165.4-45.7000114.6A48 M49A48-H52 WeakPolarHBondContact O-CB 3.46Å; A48-H52 PolarHBondContact O-N 2.89Å; M49-H52 PolarHBondContact O-N 3.39Å
53H59Low67.2Low136 Ų136105.2 Ų105.263%0.6354%0.535SS*.Hα-helixtrans-106.5-17.1-165.5-92.351000116.6M49M49-H53 PolarHBondContact O-N 3.17Å
54Y57.9Low66.3Low132 Ų132109.8 Ų109.852%0.51856%0.557SS.*  trans-139.468.6-164.2-73-77.3000115.2A56 F60Y54-A56 VanDerWaalsContact C-N 3.27Å; Y54-A56 PolarHBondContact O-N 2.98Å; Y54-F60 VanDerWaalsContact CB-CE2 3.45Å; Y54-F60 VanDerWaalsContact CB-CZ 3.49Å; Y54-F60 HydrophobicContact CD1-CD2 4.29Å; Y54-F60 HydrophobicContact CD1-CE2 4.13Å; Y54-F60 HydrophobicContact CD2-CD2 4.34Å; Y54-F60 AromaticContact CD2-CE2 3.44Å; Y54-F60 HydrophobicContact CD2-CE2 3.44Å; Y54-F60 VanDerWaalsContact CD2-CE2 3.44Å; Y54-F60 AromaticContact CD2-CZ 3.6Å; Y54-F60 HydrophobicContact CD2-CZ 3.6Å; Y54-F60 HydrophobicContact CE2-CE2 4.21Å; Y54-F60 AromaticContact CG-CD2 3.85Å; Y54-F60 HydrophobicContact CG-CD2 3.85Å; Y54-F60 HydrophobicContact CG-CE1 4.48Å; Y54-F60 AromaticContact CG-CE2 3.39Å; Y54-F60 HydrophobicContact CG-CE2 3.39Å; Y54-F60 AromaticContact CG-CZ 3.77Å; Y54-F60 HydrophobicContact CG-CZ 3.77Å
55Q53.8Low65.8Low209 Ų209110.6 Ų110.698%0.97756%0.558SS**SBendtrans-80.91.5172.7-137.4-175.13100114.4
56A53.1Low65.5Low83 Ų83110.9 Ų110.969%0.68656%0.557SS**SBendtrans-116.5-15-154.100000118.4Y54Y54-A56 VanDerWaalsContact C-N 3.27Å; Y54-A56 PolarHBondContact O-N 2.98Å
57L53.5Low65.6Low124 Ų124106.7 Ų106.765%0.64954%0.538SS*.  trans-129.8132.5-173.1-88.782.3000113.4G59 F60L57-G59 PolarHBondContact O-N 3.06Å; L57-G59 VanDerWaalsContact O-N 3.14Å; L57-F60 WeakPolarHBondContact O-CB 3.43Å; L57-F60 PolarHBondContact O-N 3.14Å; L57-F60 VanDerWaalsContact O-N 3.12Å
58L55.5Low65.6Low176 Ų176107.4 Ų107.492%0.92154%0.544SS*.G310 helixtrans-65.7-16.2-177.1-7979.4000114.9F60L58-F60 PolarHBondContact O-N 3.07Å
59G55.4Low65.9Low60 Ų60109 Ų10962%0.61954%0.543SS*.G310 helixtrans-65.7-12.1172.600000114L57L57-G59 PolarHBondContact O-N 3.06Å; L57-G59 VanDerWaalsContact O-N 3.14Å
60F53.6Low66.3Low42 Ų42104.9 Ų104.918%0.18452%0.524CS..G310 helixtrans-86-8.4-163.8-152.4-95.6000115.6Y54 L57 L58 W62 T63 Q64Y54-F60 VanDerWaalsContact CB-CE2 3.45Å; Y54-F60 VanDerWaalsContact CB-CZ 3.49Å; Y54-F60 HydrophobicContact CD1-CD2 4.29Å; Y54-F60 HydrophobicContact CD1-CE2 4.13Å; Y54-F60 HydrophobicContact CD2-CD2 4.34Å; Y54-F60 AromaticContact CD2-CE2 3.44Å; Y54-F60 HydrophobicContact CD2-CE2 3.44Å; Y54-F60 VanDerWaalsContact CD2-CE2 3.44Å; Y54-F60 AromaticContact CD2-CZ 3.6Å; Y54-F60 HydrophobicContact CD2-CZ 3.6Å; Y54-F60 HydrophobicContact CE2-CE2 4.21Å; Y54-F60 AromaticContact CG-CD2 3.85Å; Y54-F60 HydrophobicContact CG-CD2 3.85Å; Y54-F60 HydrophobicContact CG-CE1 4.48Å; Y54-F60 AromaticContact CG-CE2 3.39Å; Y54-F60 HydrophobicContact CG-CE2 3.39Å; Y54-F60 AromaticContact CG-CZ 3.77Å; Y54-F60 HydrophobicContact CG-CZ 3.77Å; L57-F60 WeakPolarHBondContact O-CB 3.43Å; L57-F60 PolarHBondContact O-N 3.14Å; L57-F60 VanDerWaalsContact O-N 3.12Å; L58-F60 PolarHBondContact O-N 3.07Å; F60-W62 VanDerWaalsContact C-N 3.27Å; F60-W62 PolarHBondContact O-N 3.33Å; F60-T63 WeakPolarHBondContact CA-OG1 3.49Å; F60-T63 WeakPolarHBondContact CD2-OG1 3.42Å; F60-T63 WeakPolarHBondContact CE2-OG1 3.46Å; F60-T63 VanDerWaalsContact CG-OG1 3.31Å; F60-T63 WeakPolarHBondContact CG-OG1 3.2Å; F60-T63 PolarHBondContact O-N 3.46Å; F60-T63 PolarHBondContact O-OG1 3.44Å; F60-Q64 WeakPolarHBondContact O-CB 3.43Å; F60-Q64 PolarHBondContact O-N 2.8Å
61Q60.6Low66.9Low141 Ų141107.6 Ų107.666%0.65954%0.535SS*.Hα-helixtrans-58.4-39.4173.8-92.5-168.6-13.400112.3Q64 L65Q61-Q64 PolarHBondContact O-N 3.28Å; Q61-L65 WeakPolarHBondContact O-CD1 3.37Å; Q61-L65 PolarHBondContact O-N 2.82Å
62W64.2Low67.8Low208 Ų208100.9 Ų100.979%0.78852%0.522SS*.Hα-helixtrans-65.5-41.2-179.8-66.6100.8000112.4F60 L65 L66F60-W62 VanDerWaalsContact C-N 3.27Å; F60-W62 PolarHBondContact O-N 3.33Å; W62-L65 PolarHBondContact O-N 3.49Å; W62-L66 WeakPolarHBondContact O-CB 3.47Å; W62-L66 PolarHBondContact O-N 2.88Å
63T65.8Low68.9Low48 Ų4897 Ų9729%0.29451%0.509SS..Hα-helixtrans-71.7-29.5174.240.30000112.6F60 L66F60-T63 WeakPolarHBondContact CA-OG1 3.49Å; F60-T63 WeakPolarHBondContact CD2-OG1 3.42Å; F60-T63 WeakPolarHBondContact CE2-OG1 3.46Å; F60-T63 VanDerWaalsContact CG-OG1 3.31Å; F60-T63 WeakPolarHBondContact CG-OG1 3.2Å; F60-T63 PolarHBondContact O-N 3.46Å; F60-T63 PolarHBondContact O-OG1 3.44Å; T63-L66 WeakPolarHBondContact O-CB 3.33Å; T63-L66 PolarHBondContact O-N 3.23Å
64Q67.8Low70.2Confident96 Ų9690.5 Ų90.545%0.44948%0.479SS..Hα-helixtrans-71.3-36.3173.2-166.2177.921.800112.4F60 Q61 P68F60-Q64 WeakPolarHBondContact O-CB 3.43Å; F60-Q64 PolarHBondContact O-N 2.8Å; Q61-Q64 PolarHBondContact O-N 3.28Å; Q64-P68 WeakPolarHBondContact O-CD 3.42Å
65L75.1Confident71.4Confident94 Ų9485.9 Ų85.949%0.49247%0.471SS..Hα-helixtrans-71.1-30.7171-95.875.7000112.6Q61 W62 G67 P68 I69Q61-L65 WeakPolarHBondContact O-CD1 3.37Å; Q61-L65 PolarHBondContact O-N 2.82Å; W62-L65 PolarHBondContact O-N 3.49Å; L65-G67 VanDerWaalsContact C-N 3.29Å; L65-G67 PolarHBondContact O-N 2.8Å; L65-P68 WeakPolarHBondContact O-CD 3.42Å; L65-I69 HydrophobicContact CB-CD1 4.16Å; L65-I69 WeakPolarHBondContact O-CB 3.42Å; L65-I69 WeakPolarHBondContact O-CD1 3.29Å; L65-I69 VanDerWaalsContact O-CG1 3.24Å; L65-I69 WeakPolarHBondContact O-CG1 3.27Å; L65-I69 PolarHBondContact O-N 3.41Å
66L78.8Confident72.8Confident69 Ų6978.2 Ų78.236%0.36144%0.444SS..Hα-helixtrans-59.1-37.9-177.2-174.659.1000112.6F46 W62 T63 I69 L70F46-L66 HydrophobicContact CD1-CD2 4.5Å; F46-L66 HydrophobicContact CE1-CD2 4.32Å; W62-L66 WeakPolarHBondContact O-CB 3.47Å; W62-L66 PolarHBondContact O-N 2.88Å; T63-L66 WeakPolarHBondContact O-CB 3.33Å; T63-L66 PolarHBondContact O-N 3.23Å; L66-I69 PolarHBondContact O-N 3.29Å; L66-L70 HydrophobicContact CD1-CD1 4.2Å; L66-L70 HydrophobicContact CG-CD1 3.99Å; L66-L70 WeakPolarHBondContact O-CB 3.45Å; L66-L70 PolarHBondContact O-N 3.31Å
67G83.6Confident74.2Confident0 Ų077.7 Ų77.70%043%0.426CS..Hα-helixtrans-58.9-61175.200000113.3G43 T47 L65 I69 L70 I71G43-G67 WeakPolarHBondContact O-CA 3.47Å; T47-G67 WeakPolarHBondContact OG1-CA 3.34Å; L65-G67 VanDerWaalsContact C-N 3.29Å; L65-G67 PolarHBondContact O-N 2.8Å; G67-I69 VanDerWaalsContact C-N 3.28Å; G67-I69 PolarHBondContact O-N 3.48Å; G67-L70 PolarHBondContact O-N 3.45Å; G67-L70 VanDerWaalsContact O-N 3.15Å; G67-I71 WeakPolarHBondContact O-CG1 3.41Å; G67-I71 PolarHBondContact O-N 2.86Å
68P83Confident75.6Confident69 Ų6974.5 Ų74.545%0.44841%0.409SS..Hα-helixtrans-54.7-35.5172.3-29.536.6000114.7Q64 L65 I71 S72Q64-P68 WeakPolarHBondContact O-CD 3.42Å; L65-P68 WeakPolarHBondContact O-CD 3.42Å; P68-I71 PolarHBondContact O-N 3.25Å; P68-S72 VanDerWaalsContact O-CB 3.25Å; P68-S72 WeakPolarHBondContact O-CB 3.24Å; P68-S72 PolarHBondContact O-N 2.91Å
69I85.7Confident76.8Confident90 Ų9071 Ų7146%0.46239%0.391SS..Hα-helixtrans-66.1-45.8175.1-69.1165.5000110.8L65 L66 G67 S72 V73L65-I69 HydrophobicContact CB-CD1 4.16Å; L65-I69 WeakPolarHBondContact O-CB 3.42Å; L65-I69 WeakPolarHBondContact O-CD1 3.29Å; L65-I69 VanDerWaalsContact O-CG1 3.24Å; L65-I69 WeakPolarHBondContact O-CG1 3.27Å; L65-I69 PolarHBondContact O-N 3.41Å; L66-I69 PolarHBondContact O-N 3.29Å; G67-I69 VanDerWaalsContact C-N 3.28Å; G67-I69 PolarHBondContact O-N 3.48Å; I69-S72 PolarHBondContact O-N 2.87Å; I69-V73 HydrophobicContact CG2-CG2 4.45Å; I69-V73 WeakPolarHBondContact O-CG2 3.4Å; I69-V73 PolarHBondContact O-N 2.71Å
70L84Confident77.9Confident37 Ų3772.3 Ų72.319%0.19439%0.386CS..Hα-helixtrans-62.2-40.6174.5-87.2154.2000112.6L39 V42 F46 L66 G67 G74L39-L70 HydrophobicContact CG-CD2 4.17Å; V42-L70 HydrophobicContact CG1-CD1 4.23Å; F46-L70 HydrophobicContact CD2-CD1 4.46Å; L66-L70 HydrophobicContact CD1-CD1 4.2Å; L66-L70 HydrophobicContact CG-CD1 3.99Å; L66-L70 WeakPolarHBondContact O-CB 3.45Å; L66-L70 PolarHBondContact O-N 3.31Å; G67-L70 PolarHBondContact O-N 3.45Å; G67-L70 VanDerWaalsContact O-N 3.15Å; L70-G74 PolarHBondContact O-N 3.28Å
71I84Confident78.9Confident66 Ų6670.4 Ų70.434%0.33838%0.378SS..Hα-helixtrans-63.3-43.2174.2-66166.7000110.5V44 G67 P68 G75V44-I71 HydrophobicContact CG2-CD1 3.91Å; V44-I71 HydrophobicContact CG2-CG1 4.15Å; G67-I71 WeakPolarHBondContact O-CG1 3.41Å; G67-I71 PolarHBondContact O-N 2.86Å; P68-I71 PolarHBondContact O-N 3.25Å; I71-G75 WeakPolarHBondContact O-CA 3.24Å; I71-G75 PolarHBondContact O-N 3.2Å
72S85.8Confident79.4Confident82 Ų8267 Ų6757%0.57337%0.367SS*.Hα-helixtrans-65.4-47178.4-174.90000112.1P68 I69 G75 A76P68-S72 VanDerWaalsContact O-CB 3.25Å; P68-S72 WeakPolarHBondContact O-CB 3.24Å; P68-S72 PolarHBondContact O-N 2.91Å; I69-S72 PolarHBondContact O-N 2.87Å; S72-G75 PolarHBondContact O-N 3.47Å; S72-A76 VanDerWaalsContact O-CB 3.29Å; S72-A76 WeakPolarHBondContact O-CB 3.37Å; S72-A76 PolarHBondContact O-N 3.08Å
73V87.7Confident79.4Confident75 Ų7559.3 Ų59.346%0.45534%0.344SS..Hα-helixtrans-66.9-46.2178175.50000111.1L39 I69 G75 A76 F77L39-V73 HydrophobicContact CD2-CG1 3.91Å; I69-V73 HydrophobicContact CG2-CG2 4.45Å; I69-V73 WeakPolarHBondContact O-CG2 3.4Å; I69-V73 PolarHBondContact O-N 2.71Å; V73-G75 VanDerWaalsContact C-N 3.35Å; V73-G75 PolarHBondContact O-N 3.45Å; V73-A76 PolarHBondContact O-N 2.9Å; V73-F77 WeakPolarHBondContact O-CB 3.45Å; V73-F77 PolarHBondContact O-N 3.45Å
74G84.8Confident79.4Confident0 Ų066.7 Ų66.70%037%0.367CS..Hα-helixtrans-62.7-40175.600000112.7L70 F77 M78L70-G74 PolarHBondContact O-N 3.28Å; G74-F77 WeakPolarHBondContact O-CB 3.41Å; G74-F77 PolarHBondContact O-N 2.85Å; G74-M78 WeakPolarHBondContact O-CG 3.31Å; G74-M78 PolarHBondContact O-N 3.02Å
75G83.8Confident78.9Confident34 Ų3467.4 Ų67.435%0.35137%0.369SS..Hα-helixtrans-64.8-39.9173.500000112.9I71 S72 V73 M78 L79I71-G75 WeakPolarHBondContact O-CA 3.24Å; I71-G75 PolarHBondContact O-N 3.2Å; S72-G75 PolarHBondContact O-N 3.47Å; V73-G75 VanDerWaalsContact C-N 3.35Å; V73-G75 PolarHBondContact O-N 3.45Å; G75-M78 PolarHBondContact O-N 2.91Å; G75-L79 WeakPolarHBondContact O-CB 3.25Å; G75-L79 PolarHBondContact O-N 3.01Å
76A84.1Confident78.1Confident48 Ų4867.2 Ų67.240%0.39737%0.365SS..Hα-helixtrans-68.5-34.7172.800000112.2S72 V73 L79 T80S72-A76 VanDerWaalsContact O-CB 3.29Å; S72-A76 WeakPolarHBondContact O-CB 3.37Å; S72-A76 PolarHBondContact O-N 3.08Å; V73-A76 PolarHBondContact O-N 2.9Å; A76-L79 PolarHBondContact O-N 3.21Å; A76-T80 WeakPolarHBondContact O-CB 3.34Å; A76-T80 WeakPolarHBondContact O-CG2 3.43Å; A76-T80 PolarHBondContact O-N 3.1Å; A76-T80 PolarHBondContact O-OG1 3.21Å
77F82.4Confident77Confident73 Ų7367.3 Ų67.332%0.3237%0.371SS..Hα-helixtrans-66.7-43.9174.4-139.5-116.8000111.4L32 V73 G74 T80 S81L32-F77 HydrophobicContact CB-CE1 4.21Å; L32-F77 HydrophobicContact CD2-CD1 4.34Å; L32-F77 HydrophobicContact CD2-CE1 3.37Å; L32-F77 HydrophobicContact CD2-CE2 4.38Å; L32-F77 HydrophobicContact CD2-CZ 3.4Å; L32-F77 VanDerWaalsContact CD2-CZ 3.4Å; L32-F77 HydrophobicContact CG-CE1 4.39Å; L32-F77 WeakPolarHBondContact O-CD1 3.29Å; V73-F77 WeakPolarHBondContact O-CB 3.45Å; V73-F77 PolarHBondContact O-N 3.45Å; G74-F77 WeakPolarHBondContact O-CB 3.41Å; G74-F77 PolarHBondContact O-N 2.85Å; F77-T80 PolarHBondContact O-OG1 2.99Å; F77-T80 VanDerWaalsContact O-OG1 3.13Å; F77-S81 VanDerWaalsContact O-CB 3.31Å; F77-S81 WeakPolarHBondContact O-CB 3.36Å; F77-S81 PolarHBondContact O-N 2.73Å
78M81.7Confident75.4Confident57 Ų5774 Ų7428%0.28141%0.412SS..Hα-helixtrans-59.7-51.4169.7-79.1-62.2-143.600111.8L33 V37 G74 G75 T80 S81 V82L33-M78 HydrophobicContact CB-SD 4.18Å; L33-M78 HydrophobicContact CD2-SD 3.56Å; L33-M78 VanDerWaalsContact CD2-SD 3.56Å; L33-M78 HydrophobicContact CG-SD 4.48Å; L33-M78 WeakPolarHBondContact O-CE 3.27Å; V37-M78 HydrophobicContact CB-CE 4.29Å; V37-M78 HydrophobicContact CG2-CE 3.28Å; G74-M78 WeakPolarHBondContact O-CG 3.31Å; G74-M78 PolarHBondContact O-N 3.02Å; G75-M78 PolarHBondContact O-N 2.91Å; M78-T80 PolarHBondContact O-N 2.75Å; M78-S81 PolarHBondContact O-N 3.36Å; M78-S81 VanDerWaalsContact O-N 3.16Å; M78-V82 WeakPolarHBondContact O-CG2 3.47Å; M78-V82 PolarHBondContact O-N 3.39Å
79L81.3Confident74Confident103 Ų10374.4 Ų74.454%0.53942%0.416SS..Hα-helixtrans-62.4-44.2-176.8-173.363000111G75 A76 S81 V82 C83G75-L79 WeakPolarHBondContact O-CB 3.25Å; G75-L79 PolarHBondContact O-N 3.01Å; A76-L79 PolarHBondContact O-N 3.21Å; L79-S81 VanDerWaalsContact C-N 3.34Å; L79-S81 PolarHBondContact O-N 2.8Å; L79-V82 HydrophobicContact CD1-CG2 4.44Å; L79-C83 WeakPolarHBondContact O-CA 3.43Å; L79-C83 WeakPolarHBondContact O-CB 3.04Å; L79-C83 PolarHBondContact O-N 3.37Å; L79-C83 PolarHBondContact O-SG 2.61Å
80T77.8Confident72.2Confident86 Ų8673.6 Ų73.653%0.52842%0.418SS..Hα-helixtrans-66-34.3175.349.90000112.6A76 F77 M78 R84A76-T80 WeakPolarHBondContact O-CB 3.34Å; A76-T80 WeakPolarHBondContact O-CG2 3.43Å; A76-T80 PolarHBondContact O-N 3.1Å; A76-T80 PolarHBondContact O-OG1 3.21Å; F77-T80 PolarHBondContact O-OG1 2.99Å; F77-T80 VanDerWaalsContact O-OG1 3.13Å; M78-T80 PolarHBondContact O-N 2.75Å; T80-R84 VanDerWaalsContact O-CB 3.27Å; T80-R84 WeakPolarHBondContact O-CB 3.42Å; T80-R84 VanDerWaalsContact O-CG 3.25Å; T80-R84 WeakPolarHBondContact O-CG 3.33Å; T80-R84 PolarHBondContact O-N 2.78Å
81S75.6Confident70.4Confident2 Ų279.5 Ų79.51%0.01444%0.438CS..Hα-helixtrans-69.6-46.6175.2-173.30000112.9R29 L33 F77 M78 L79 R84R29-S81 PolarHBondContact O-OG 3.21Å; L33-S81 WeakPolarHBondContact CD2-OG 3.32Å; L33-S81 WeakPolarHBondContact CG-OG 3.43Å; F77-S81 VanDerWaalsContact O-CB 3.31Å; F77-S81 WeakPolarHBondContact O-CB 3.36Å; F77-S81 PolarHBondContact O-N 2.73Å; M78-S81 PolarHBondContact O-N 3.36Å; M78-S81 VanDerWaalsContact O-N 3.16Å; L79-S81 VanDerWaalsContact C-N 3.34Å; L79-S81 PolarHBondContact O-N 2.8Å; S81-R84 PolarHBondContact O-N 2.88Å
82V70.6Confident68.5Low69 Ų6981.1 Ų81.142%0.41845%0.453SS..Hα-helixtrans-71.1-38.8175.7-56.50000111.6L33 M78 L79 R84 F85 H86L33-V82 HydrophobicContact CD2-CG1 3.86Å; M78-V82 WeakPolarHBondContact O-CG2 3.47Å; M78-V82 PolarHBondContact O-N 3.39Å; L79-V82 HydrophobicContact CD1-CG2 4.44Å; V82-R84 VanDerWaalsContact C-N 3.29Å; V82-R84 PolarHBondContact O-N 3.48Å; V82-F85 PolarHBondContact O-N 3.16Å; V82-H86 WeakPolarHBondContact O-CB 3.29Å; V82-H86 PolarHBondContact O-N 3.02Å
83C63.9Low66.7Low47 Ų4789.4 Ų89.432%0.31847%0.471SS..Hα-helixtrans-68.2-23.3174-70.70000112.7L79 H86 S87L79-C83 WeakPolarHBondContact O-CA 3.43Å; L79-C83 WeakPolarHBondContact O-CB 3.04Å; L79-C83 PolarHBondContact O-N 3.37Å; L79-C83 PolarHBondContact O-SG 2.61Å; C83-H86 CarbonylContact O-C 3.4Å; C83-H86 PolarHBondContact O-N 3.46Å; C83-S87 WeakPolarHBondContact O-CA 3.08Å; C83-S87 WeakPolarHBondContact O-CB 3.34Å; C83-S87 PolarHBondContact O-N 2.86Å; C83-S87 PolarHBondContact O-OG 2.88Å
84R66.7Low64.7Low203 Ų20396 Ų9677%0.76649%0.488SS*.Hα-helixtrans-66.6-36.8170.6-90.3-77.1175.484.7-3.2112.3T80 S81 V82T80-R84 VanDerWaalsContact O-CB 3.27Å; T80-R84 WeakPolarHBondContact O-CB 3.42Å; T80-R84 VanDerWaalsContact O-CG 3.25Å; T80-R84 WeakPolarHBondContact O-CG 3.33Å; T80-R84 PolarHBondContact O-N 2.78Å; S81-R84 PolarHBondContact O-N 2.88Å; V82-R84 VanDerWaalsContact C-N 3.29Å; V82-R84 PolarHBondContact O-N 3.48Å
85F56.2Low62.7Low111 Ų111106.3 Ų106.349%0.48753%0.527SS..Hα-helixtrans-69.8-50.7165.4-85-153.2000110.9E26 R29 V82 S87E26-F85 HydrophobicContact CG-CZ 4.22Å; R29-F85 HydrophobicContact CB-CE2 3.8Å; R29-F85 HydrophobicContact CG-CD2 3.81Å; R29-F85 HydrophobicContact CG-CE2 3.16Å; R29-F85 HydrophobicContact CG-CZ 4.08Å; V82-F85 PolarHBondContact O-N 3.16Å; F85-S87 PolarHBondContact O-N 2.73Å; F85-S87 VanDerWaalsContact O-N 3.1Å
86H58.5Low60.9Low90 Ų90111.9 Ų111.942%0.41754%0.544SS..Hα-helixtrans-755.7-174.2-150.9-90.9000113.7V82 C83 V88 S89 C90V82-H86 WeakPolarHBondContact O-CB 3.29Å; V82-H86 PolarHBondContact O-N 3.02Å; C83-H86 CarbonylContact O-C 3.4Å; C83-H86 PolarHBondContact O-N 3.46Å; H86-V88 PolarHBondContact O-N 2.94Å; H86-S89 PolarHBondContact CD2-OG 3.16Å; H86-S89 PolarHBondContact CE1-OG 3.44Å; H86-S89 PolarHBondContact ND1-OG 2.88Å; H86-S89 VanDerWaalsContact ND1-OG 3.14Å; H86-S89 PolarHBondContact NE2-OG 3.1Å; H86-S89 CarbonylContact O-C 3.57Å; H86-S89 PolarHBondContact O-N 3.29Å; H86-S89 PolarHBondContact O-OG 3.41Å; H86-C90 PolarHBondContact CE1-SG 3.41Å; H86-C90 WeakPolarHBondContact ND1-CB 3.2Å; H86-C90 PolarHBondContact ND1-N 3.13Å; H86-C90 PolarHBondContact ND1-SG 3.46Å; H86-C90 PolarHBondContact O-N 2.82Å
87S55Low58.8Low71 Ų71115.8 Ų115.850%0.49756%0.558SS.*THydrogen-bonded Turntrans-68-11.6173.2-720000112.3C83 F85C83-S87 WeakPolarHBondContact O-CA 3.08Å; C83-S87 WeakPolarHBondContact O-CB 3.34Å; C83-S87 PolarHBondContact O-N 2.86Å; C83-S87 PolarHBondContact O-OG 2.88Å; F85-S87 PolarHBondContact O-N 2.73Å; F85-S87 VanDerWaalsContact O-N 3.1Å
88V51.3Low56.7Low141 Ų141120.6 Ų120.686%0.85558%0.582SS**THydrogen-bonded Turntrans-81.5-18.1171.2-165.70000111.7H86H86-V88 PolarHBondContact O-N 2.94Å
89S52.2Low54.9Low77 Ų77126.2 Ų126.254%0.53861%0.607SS.*THydrogen-bonded Turntrans-129.2-18.8-172.2420000115.3H86H86-S89 PolarHBondContact CD2-OG 3.16Å; H86-S89 PolarHBondContact CE1-OG 3.44Å; H86-S89 PolarHBondContact ND1-OG 2.88Å; H86-S89 VanDerWaalsContact ND1-OG 3.14Å; H86-S89 PolarHBondContact NE2-OG 3.1Å; H86-S89 CarbonylContact O-C 3.57Å; H86-S89 PolarHBondContact O-N 3.29Å; H86-S89 PolarHBondContact O-OG 3.41Å
90C48.3Very low53Low74 Ų74128.4 Ų128.450%0.562%0.618SS.*  trans-108.873.5166.3-86.70000110.2H86 P92H86-C90 PolarHBondContact CE1-SG 3.41Å; H86-C90 WeakPolarHBondContact ND1-CB 3.2Å; H86-C90 PolarHBondContact ND1-N 3.13Å; H86-C90 PolarHBondContact ND1-SG 3.46Å; H86-C90 PolarHBondContact O-N 2.82Å; C90-P92 VanDerWaalsContact O-CD 3.27Å; C90-P92 WeakPolarHBondContact O-CD 3.2Å
91W47.4Very low50.9Low161 Ų161134.7 Ų134.761%0.6163%0.634SS**  trans-73.2110.2149.1-127.793.3000106.4R93 R95W91-R93 PolarHBondContact O-N 2.85Å; W91-R95 HydrophobicContact CH2-CB 3.9Å; W91-R95 HydrophobicContact CH2-CG 3.71Å; W91-R95 HydrophobicContact CZ3-CB 3.64Å; W91-R95 HydrophobicContact CZ3-CG 4Å
92P43.9Very low49.1Very low100 Ų100140.3 Ų140.365%0.64967%0.667SS**  trans-61.9130.8174.127.4-33.3000107.9C90 R94C90-P92 VanDerWaalsContact O-CD 3.27Å; C90-P92 WeakPolarHBondContact O-CD 3.2Å; P92-R94 PolarHBondContact O-N 2.88Å
93R48.3Very low47.6Very low255 Ų255142.5 Ų142.596%0.96268%0.681SS**SBendtrans-73.761.8-171.2-167.8-177.1172.4-171.1-2.3112.6W91W91-R93 PolarHBondContact O-N 2.85Å
94R44.5Very low46.5Very low214 Ų214145.8 Ų145.881%0.80870%0.701SS**  trans-141.381.1168.7-80-165.3174.1-156.6-0.7108.6P92 Q96P92-R94 PolarHBondContact O-N 2.88Å; R94-Q96 VanDerWaalsContact C-N 3.32Å
95R42.6Very low45.3Very low216 Ų216142.4 Ų142.482%0.81570%0.703SS**  trans-108.439.3151.7-146.4176-168.4-1741.3110.6W91W91-R95 HydrophobicContact CH2-CB 3.9Å; W91-R95 HydrophobicContact CH2-CG 3.71Å; W91-R95 HydrophobicContact CZ3-CB 3.64Å; W91-R95 HydrophobicContact CZ3-CG 4Å
96Q47.5Very low44.3Very low151 Ų151148.5 Ų148.571%0.70672%0.723SS**  trans-132122.4160.6-76.7-177.8-70.600103.2R94R94-Q96 VanDerWaalsContact C-N 3.32Å
97D39.3Very low43.2Very low131 Ų131152.3 Ų152.370%0.70174%0.741SS**SBendcis-132.8-172.55.7-91.6-58.6000112.5
98E39Very low42.4Very low174 Ų174158.4 Ų158.481%0.81376%0.761SS**  trans67.980.1160.7-72.1151.9-152.400117.2
99E42.8Very low41.4Very low175 Ų175158.7 Ų158.782%0.81876%0.758SS**  63.6140.6121.7-68.1-170.8-177.700122.7
100I42.1Very low40.6Very low148 Ų148160.7 Ų160.776%0.75977%0.772SS**  trans55.189.9162.2-51.5156.1000115.9
101Y32.8Very low40.1Very low218 Ų218169.5 Ų169.586%0.85580%0.795SS**  -148.1152.1123.7-133.7-94.6000112.5
102V39.6Very low39.8Very low120 Ų120165.3 Ų165.373%0.72780%0.802SS**  trans-61142-164.61800000113.4P104V102-P104 VanDerWaalsContact O-CD 3.25Å; V102-P104 WeakPolarHBondContact O-CD 3.47Å
103V38.8Very low39.7Very low116 Ų116171.7 Ų171.770%0.70381%0.813SS**  trans-69.4117.7171173.70000110.6V105V103-V105 HydrophobicContact CG1-CG2 4.41Å; V103-V105 PolarHBondContact O-N 3.17Å
104P39.3Very low40Very low115 Ų115165.4 Ų165.475%0.74781%0.806SS**  trans-76.7112.6159.731.5-29.8000108.3V102 R106V102-P104 VanDerWaalsContact O-CD 3.25Å; V102-P104 WeakPolarHBondContact O-CD 3.47Å; P104-R106 PolarHBondContact O-N 2.94Å
105V41.5Very low39.9Very low132 Ų132161 Ų16180%0.880%0.802SS**  trans-67.297.6171.3175.80000108.1V103V103-V105 HydrophobicContact CG1-CG2 4.41Å; V103-V105 PolarHBondContact O-N 3.17Å
106R36.5Very low40.3Very low239 Ų239157.1 Ų157.190%0.90280%0.802SS**  trans-85.7127.1172.9-165.9167.9-174150.23.5109.3P104 Q108P104-R106 PolarHBondContact O-N 2.94Å; R106-Q108 PolarHBondContact O-N 3.24Å
107E35Very low40.3Very low170 Ų170155.8 Ų155.879%0.79480%0.804SS**  trans-57.5130.3-160-58.5177.1138.200114.2N109E107-N109 PolarHBondContact O-N 3.45Å
108Q37.3Very low40.8Very low199 Ų199159.4 Ų159.493%0.9381%0.808SS**  trans-75.4102.7173.6176.6-17669.800109.5R106R106-Q108 PolarHBondContact O-N 3.24Å
109N30.7Very low41Very low147 Ų147157.5 Ų157.579%0.78680%0.803SS**  trans-148.287.6179.3-141.6-17.8000114E107E107-N109 PolarHBondContact O-N 3.45Å
110S36.8Very low41.7Very low119 Ų119154.8 Ų154.883%0.83279%0.793SS**  trans-167.4135.7150.733.30000112.8
111R37.4Very low41.8Very low259 Ų259154.2 Ų154.298%0.97779%0.792SS**  trans-52.7135.6-177.2-68.5164.2155.7-172-6.4114.6
112G39.8Very low42.6Very low74 Ų74151.4 Ų151.476%0.76379%0.786SS**  trans-162.6132.7159.100000111.8
113R43.1Very low43Very low233 Ų233151.9 Ų151.988%0.87979%0.792SS**  trans-77.3147.2172.3-87-178.3168.7-179.3-3.9110.2V115R113-V115 PolarHBondContact O-N 3.13Å
114P53.7Low43.3Very low124 Ų124152 Ų15281%0.80579%0.792SS**  trans-68.1114.5170.628.8-33.3000110.2
115V42.2Very low43.7Very low122 Ų122154.6 Ų154.674%0.73980%0.797SS**  trans-95.5101.7171.51740000108.5R113 V117R113-V115 PolarHBondContact O-N 3.13Å; V115-V117 HydrophobicContact CG1-CG2 3.78Å; V115-V117 PolarHBondContact O-N 3.19Å
116V52.2Low43.9Very low134 Ų134156 Ų15681%0.81280%0.799SS**  trans-78.699.9168.8177.60000108.3
117V46.8Very low44.6Very low122 Ų122156.1 Ų156.174%0.73980%0.799SS**  trans-113.9105162.7171.50000108.7V115V115-V117 HydrophobicContact CG1-CG2 3.78Å; V115-V117 PolarHBondContact O-N 3.19Å
118R50.7Low45.4Very low207 Ų207151.4 Ų151.478%0.78180%0.796SS**  trans-77123175.2179.3-172.6-171.8-164.2-0.2108.8I120R118-I120 HydrophobicContact CG-CD1 4.24Å; R118-I120 HydrophobicContact CG-CG1 3.93Å
119N43Very low45.9Very low134 Ų134148.4 Ų148.472%0.71779%0.791SS**  trans-121.8133.9164.9-162-32.5000109.1N121N119-N121 PolarHBondContact OD1-ND2 3.28Å
120I55.7Low46.9Very low118 Ų118146.3 Ų146.361%0.60580%0.795SS**  trans-124.196.3-169.3-47171.6000107.4R118R118-I120 HydrophobicContact CG-CD1 4.24Å; R118-I120 HydrophobicContact CG-CG1 3.93Å
121N46Very low47.5Very low137 Ų137146.8 Ų146.873%0.73379%0.793SS**  trans-140.783.8176.3-84.6-69000111.2N119N119-N121 PolarHBondContact OD1-ND2 3.28Å
122Q48.8Very low48Very low159 Ų159142.6 Ų142.674%0.74379%0.786SS**  trans22.4123.6140.2-167.9171.556.600118.4V124Q122-V124 PolarHBondContact O-N 3.4Å
123P46.8Very low48.2Very low129 Ų129146.6 Ų146.684%0.83879%0.789SS**  trans-66.8109.3168.528.7-32.8000109.9M125P123-M125 PolarHBondContact O-N 3.34Å
124V47.1Very low48.3Very low118 Ų118139.7 Ų139.772%0.71578%0.776SS**  trans-72.1113.6178.3175.90000109.6Q122 L126Q122-V124 PolarHBondContact O-N 3.4Å; V124-L126 PolarHBondContact O-N 2.79Å; V124-L126 VanDerWaalsContact O-N 3.08Å
125M47.8Very low48.4Very low171 Ų171140.8 Ų140.884%0.84277%0.774SS**  trans-71.195.2174.4-173.7-160.9-4600110.1P123P123-M125 PolarHBondContact O-N 3.34Å
126L45.3Very low48.6Very low161 Ų161140.2 Ų140.284%0.84377%0.772SS**  trans-90140163.5-132.977.3000110.4V124V124-L126 PolarHBondContact O-N 2.79Å; V124-L126 VanDerWaalsContact O-N 3.08Å
127R50.2Low48.6Very low242 Ų242139.3 Ų139.391%0.91377%0.769SS**  trans-112.5114.5-160-172.4-178.3-175.7-171.92.4110.5
128G52.9Low48.6Very low70 Ų70137.9 Ų137.972%0.72277%0.77SS**  trans107.6130.6-17200000110.5
129T47.2Very low47.9Very low136 Ų136138.2 Ų138.283%0.83477%0.773SS**  cis-135142.59.9-56.20000109.9T131T129-T131 PolarHBondContact O-N 3.44Å
130A51.8Low47.7Very low103 Ų103138.5 Ų138.585%0.85178%0.775SS**  trans-80.6108.3-175.500000112.1
131T49.1Very low47Very low130 Ų130141.9 Ų141.980%0.79879%0.785SS**  trans-118.2104.2156.550.60000108.4T129 L133T129-T131 PolarHBondContact O-N 3.44Å; T131-L133 PolarHBondContact O-N 2.74Å
132M47.3Very low46.5Very low170 Ų170141.9 Ų141.984%0.83779%0.79SS**  trans-74.189.2-176.3-175.4173.8176.300109.9C134M132-C134 VanDerWaalsContact C-N 3.27Å; M132-C134 PolarHBondContact O-N 2.99Å
133L45.5Very low46.1Very low158 Ų158140.6 Ų140.683%0.82779%0.793SS**  trans-72.884.2174.2-171.571.2000109.4T131 I135T131-L133 PolarHBondContact O-N 2.74Å; L133-I135 PolarHBondContact O-N 3.1Å
134C44.3Very low45.5Very low89 Ų89143.6 Ų143.660%0.60180%0.796SS**  trans-62.4100.8172.1-70.50000109.8M132 P136M132-C134 VanDerWaalsContact C-N 3.27Å; M132-C134 PolarHBondContact O-N 2.99Å; C134-P136 VanDerWaalsContact O-CD 3.3Å; C134-P136 WeakPolarHBondContact O-CD 3.33Å
135I55.4Low45.2Very low147 Ų147146.3 Ų146.375%0.75480%0.801SS**PPolyproline II helixtrans-62.9119.4164.9-57171.5000106.9L133L133-I135 PolarHBondContact O-N 3.1Å
136P46Very low44.6Very low110 Ų110143 Ų14371%0.71480%0.8SS**PPolyproline II helixtrans-65.1128.6173.2-18.732.8000109.2C134C134-P136 VanDerWaalsContact O-CD 3.3Å; C134-P136 WeakPolarHBondContact O-CD 3.33Å
137P52.2Low43.9Very low115 Ų115146.4 Ų146.475%0.74780%0.802SS**PPolyproline II helixtrans-65.1159.117128.7-34000110.6
138A47Very low43.7Very low92 Ų92140.3 Ų140.376%0.7679%0.794SS**PPolyproline II helixtrans-58.9142.5178.700000111.5D140A138-D140 PolarHBondContact O-N 3.2Å
139Y36.4Very low42.7Very low214 Ų214146.6 Ų146.684%0.83981%0.805SS**  trans-93.184.8-170-140-83.6000110.8F141Y139-F141 PolarHBondContact O-N 3.5Å
140D38.1Very low41.9Very low140 Ų140143.7 Ų143.775%0.74980%0.802SS**  trans-69.4127.8174.6-69.6-28.5000110.6A138A138-D140 PolarHBondContact O-N 3.2Å
141F41Very low41.1Very low188 Ų188145.8 Ų145.883%0.82580%0.799SS**  trans-85.6115.6-167.64.8-95.9000112.1Y139Y139-F141 PolarHBondContact O-N 3.5Å
142V36Very low40.9Very low138 Ų138145.5 Ų145.584%0.83680%0.799SS**  trans-130.6121.9164.8-1780000109.2
143T40.4Very low40.4Very low132 Ų132148 Ų14881%0.8180%0.799SS**  trans-73.9131.6175.419.60000111.8
144Q34.6Very low40.7Very low191 Ų191146.8 Ų146.889%0.89380%0.801SS**  trans-149.9137.6156-165152.692.700110.4
145E40.2Very low40.2Very low175 Ų175145.8 Ų145.882%0.81881%0.805SS**  trans-108.8175.2-169-64.4157.8100.800112.5
146A34.4Very low39.1Very low101 Ų101144.8 Ų144.884%0.83581%0.811SS**  trans74.6149.9174.400000115.6
147R31.1Very low38.6Very low234 Ų234144.5 Ų144.588%0.88381%0.812SS**  cis-154.7150.41.7-165.8174.4174.6123.9-1.5110.2
148P46.8Very low37.9Very low114 Ų114145.5 Ų145.574%0.7482%0.815SS**  trans-98140.9-178.935.7-34.3000115.6
149Q31.3Very low37.5Very low202 Ų202146.6 Ų146.694%0.94482%0.818SS**  trans179.9153.3155.9-105.8170.3-4.400108.9
150G30.4Very low37.5Very low75 Ų75140 Ų14077%0.77381%0.814SS**  cis-172168.1-300000112.4
151D35.3Very low37.4Very low147 Ų147136.9 Ų136.979%0.78682%0.815SS**  trans-79.3160.4179.8-129.3-46.6000111.9R153D151-R153 PolarHBondContact OD1-N 2.93Å
152P43.9Very low37.1Very low124 Ų124135.9 Ų135.981%0.80582%0.819SS**  -150.6152.175.638.6-18.7000119.2
153R38.6Very low37.3Very low222 Ų222133 Ų13384%0.83881%0.809SS**  trans-68.6165.2161.8-109.2176.5173.7-158.6-1.2113.6D151D151-R153 PolarHBondContact OD1-N 2.93Å
154P51.4Low37.3Very low133 Ų133134.1 Ų134.186%0.86481%0.81SS**  -153.9171.859.641.5-20.1000120.1
155G33.5Very low37.8Very low67 Ų67133.3 Ų133.369%0.69181%0.811SS**  trans132.2102170.700000112.8
156S32.5Very low38Very low127 Ų127132.6 Ų132.689%0.88881%0.812SS**  69.2118.184.1-166.10000113.6
157S36.4Very low38.5Very low104 Ų104133.8 Ų133.873%0.72781%0.812SS**  cis-165157.3-0.6-168.20000111.9
158V36.8Very low39.2Very low135 Ų135126.9 Ų126.982%0.81880%0.799SS**  trans54.4128.3164.5170.40000117.1
159S38.1Very low39.1Very low116 Ų116131.7 Ų131.781%0.81180%0.804SS**  cis-142.8178.333.3-1610000112.7
160G35.8Very low40.1Very low74 Ų74130.6 Ų130.676%0.76380%0.799SS**  trans-67.7173.4-176.100000115
161G36.3Very low41.1Very low75 Ų75132 Ų13277%0.77380%0.797SS**  cis174.81423.200000108.7
162N35.4Very low41.7Very low168 Ų168132 Ų13290%0.89880%0.796SS**  trans-87165.3-162.4-66.6-34000115.1
163A39.6Very low42Very low77 Ų77136.6 Ų136.664%0.63680%0.799SS**  trans87.7122.7147.900000119.7
164D41Very low42.4Very low155 Ų155132.3 Ų132.383%0.82980%0.801SS**  5388.5127-48.4-21.2000119.1
165L45.3Very low42Very low175 Ų175134 Ų13492%0.91680%0.802SS**  trans-130.1133.8153.2-76.4174.8000110.8
166L44.6Very low42.2Very low159 Ų159137.2 Ų137.283%0.83280%0.803SS**PPolyproline II helixtrans-65.1156.5173.8-87.774.3000111.2S168L166-S168 PolarHBondContact O-N 3.38Å
167P44.8Very low42.7Very low127 Ų127139.1 Ų139.183%0.82580%0.804SS**PPolyproline II helixtrans-60.3123.7167.726.5-34000110.6
168S45.8Very low42.9Very low89 Ų89138.2 Ų138.262%0.62280%0.802SS**PPolyproline II helixtrans-70.2146.1179.5-174.80000112.3L166 E170L166-S168 PolarHBondContact O-N 3.38Å; S168-E170 VanDerWaalsContact C-N 3.35Å; S168-E170 PolarHBondContact O-N 2.76Å
169Y45.1Very low42.9Very low215 Ų215137.4 Ų137.484%0.84380%0.802SS**G310 helixtrans-78-12.7-174.2-168.6-102.7000114.2S171Y169-S171 VanDerWaalsContact C-N 3.32Å; Y169-S171 PolarHBondContact O-N 3.21Å
170E50.6Low43Very low178 Ų178138.2 Ų138.283%0.83280%0.802SS**G310 helixtrans-74.1-9.7-171.1-69.1-161.1123.800116S168 L172S168-E170 VanDerWaalsContact C-N 3.35Å; S168-E170 PolarHBondContact O-N 2.76Å; E170-L172 VanDerWaalsContact C-N 3.26Å; E170-L172 PolarHBondContact O-N 3.05Å
171S52.2Low43.5Very low106 Ų106140 Ų14074%0.74180%0.8SS**G310 helixtrans-79.42.6-172.858.30000115.6Y169Y169-S171 VanDerWaalsContact C-N 3.32Å; Y169-S171 PolarHBondContact O-N 3.21Å
172L47.3Very low43.7Very low145 Ų145145.5 Ų145.576%0.75981%0.805SS**G310 helixtrans-107.417.4-171.5-69.3178.5000115.6E170E170-L172 VanDerWaalsContact C-N 3.26Å; E170-L172 PolarHBondContact O-N 3.05Å
173Y50.5Low43.6Very low222 Ų222143.5 Ų143.587%0.87180%0.804SS**  trans-135.655.9178.6-142.7-90.2000115.8
174C46.9Very low43.7Very low131 Ų131143.5 Ų143.589%0.88580%0.804SS**  trans-139.387.2164.8-87.30000110.8
175L43.5Very low43.6Very low170 Ų170145.2 Ų145.289%0.8981%0.808SS**  trans-124.974.2166.4-168.465000111.1
176D36.9Very low43.2Very low133 Ų133142.1 Ų142.171%0.71181%0.807SS**  trans44.682.8146.7-155.210000119.1A178D176-A178 VanDerWaalsContact C-N 3.31Å; D176-A178 PolarHBondContact O-N 2.91Å; D176-A178 VanDerWaalsContact O-N 3.12Å
177N43.9Very low42.6Very low168 Ų168138.2 Ų138.290%0.89881%0.805SS**  trans-7880.1158.8-90.2-26000110C179N177-C179 VanDerWaalsContact C-N 3.33Å; N177-C179 PolarHBondContact O-N 3.28Å
178A39.8Very low42.2Very low84 Ų84141.8 Ų141.869%0.69481%0.81SS**  trans-71.679.6178.900000112.7D176D176-A178 VanDerWaalsContact C-N 3.31Å; D176-A178 PolarHBondContact O-N 2.91Å; D176-A178 VanDerWaalsContact O-N 3.12Å
179C37Very low41.5Very low119 Ų119140.6 Ų140.680%0.80481%0.812SS**  trans-116.5112.4169.9-174.30000110.1N177N177-C179 VanDerWaalsContact C-N 3.33Å; N177-C179 PolarHBondContact O-N 3.28Å
180T41.2Very low41.2Very low133 Ų133136.2 Ų136.282%0.81681%0.813SS**  trans-124.7126.4-177.747.70000111.5
181P45Very low40.7Very low112 Ų112139.5 Ų139.573%0.72782%0.818SS**  trans-92.9147.3-177.834.4-34000113.9
182H40.5Very low40Very low189 Ų189139.1 Ų139.188%0.87582%0.821SS**  trans49.7123.3158.5-74.8-85.4000120.6
183S34.1Very low39.7Very low126 Ų126140.3 Ų140.388%0.88183%0.827SS**  -165.6169.5103.2-153.30000114.1
184A41Very low39Very low77 Ų77137.1 Ų137.164%0.63682%0.817SS**  trans-61.4157.1-161.300000121.2
185E39.4Very low38.6Very low192 Ų192137.6 Ų137.690%0.89782%0.817SS**  trans51116.2140-67.2-174.6144.300122.9
186A36.8Very low38.2Very low110 Ų110136.2 Ų136.291%0.90981%0.806SS**  -176.8147.4106.700000110
187G33.3Very low38.1Very low76 Ų76137.3 Ų137.378%0.78481%0.812SS**  trans-143.7162.6-172.600000116.3
188H34.9Very low37.8Very low203 Ų203135.4 Ų135.494%0.9480%0.797SS**  trans-162.7159.5169.4-144.770.1000113.3
189G31.4Very low37.6Very low64 Ų64141.5 Ų141.566%0.6680%0.802SS**  trans97.861.2145.400000119.4
190S38.6Very low37.5Very low123 Ų123139.6 Ų139.686%0.8680%0.803SS**  trans-32.9143.8164.5-43.70000117.9
191R40.3Very low37.5Very low247 Ų247141 Ų14193%0.93280%0.804SS**  -156.8125.6116.6-140170.4-171.6147.22.9113.3
192A37.6Very low37.2Very low97 Ų97144.3 Ų144.380%0.80281%0.81SS**  trans-91.6154.9168.800000110.9
193L40.2Very low37.2Very low171 Ų171144.3 Ų144.390%0.89581%0.811SS**  trans-136.4128.6157.6-150154.5000108.1
194K37.2Very low37.6Very low154 Ų154141.8 Ų141.867%0.6781%0.805SS**  trans-99.1126.7-164.5-178.2-165.9-179.7-1640111E196K194-E196 WeakPolarHBondContact CE-OE2 3.25Å; K194-E196 IonicContact NZ-OE2 2.62Å; K194-E196 PolarHBondContact NZ-OE2 3.5Å
195T39Very low37.7Very low142 Ų142145.5 Ų145.587%0.87181%0.814SS**  trans-132.7139.1153.7-50.10000108.5
196E34.2Very low38.2Very low140 Ų140139.4 Ų139.465%0.65480%0.803SS**  trans-123.4126.2-162.6176179.592.800109.1K194K194-E196 WeakPolarHBondContact CE-OE2 3.25Å; K194-E196 IonicContact NZ-OE2 2.62Å; K194-E196 PolarHBondContact NZ-OE2 3.5Å
197N34.8Very low38.6Very low157 Ų157138.6 Ų138.684%0.8479%0.79SS**  trans-153.8134.4162.9-163.81.6000109.5
198E38.2Very low39.6Very low128 Ų128141.2 Ų141.260%0.59879%0.791SS**  trans-105.9131.6-168.7-32.3162101.600112.3
199R34.3Very low40.4Very low211 Ų211136.7 Ų136.780%0.79678%0.781SS**  trans148126.1134.5-86.4155.1-86-94.9-19.3110.7
200G34.8Very low42.1Very low79 Ų79138.8 Ų138.881%0.81479%0.786SS**  trans149.172.6174.800000113.5Q202G200-Q202 PolarHBondContact O-N 3.21Å
201L41.1Very low43.7Very low162 Ų162142 Ų14285%0.84878%0.784SS**  trans-73.2103.2174.2174.568.8000110.7
202Q39.3Very low45.5Very low182 Ų182135.7 Ų135.785%0.8578%0.775SS**  trans-159.2116.3146.2-142.4143.1108.400111G200G200-Q202 PolarHBondContact O-N 3.21Å
203E40.3Very low47.4Very low190 Ų190135.1 Ų135.189%0.88876%0.764SS**  trans-71.9127.7161.6-72.8174.6111.300108.4
204G42.9Very low49.3Very low73 Ų73129.1 Ų129.175%0.75374%0.738SS**  trans-135.456.7179.800000110.1G206G204-G206 PolarHBondContact O-N 3.11Å
205D43.5Very low51Low154 Ų154129.3 Ų129.382%0.82474%0.736SS**  trans-65.4100175.6-175.415.9000109.6S207D205-S207 PolarHBondContact O-N 3.45Å
206G50.5Low52.9Low65 Ų65128.9 Ų128.967%0.6772%0.724SS**  trans-74.333.5-167.600000115.1G204 T208G204-G206 PolarHBondContact O-N 3.11Å; G206-T208 VanDerWaalsContact C-N 3.27Å; G206-T208 PolarHBondContact O-N 3.22Å
207S44.4Very low54.9Low92 Ų92127.9 Ų127.964%0.64372%0.723SS**  trans-78.474.1175.8-167.90000110.8D205 C209D205-S207 PolarHBondContact O-N 3.45Å; S207-C209 PolarHBondContact O-N 3.33Å
208T54Low57.2Low132 Ų132125.3 Ų125.381%0.8171%0.709SS**  trans-74.151.3175.939.20000112.8G206 S210G206-T208 VanDerWaalsContact C-N 3.27Å; G206-T208 PolarHBondContact O-N 3.22Å; T208-S210 PolarHBondContact O-N 3.5Å
209C52.2Low59Low108 Ų108124.4 Ų124.473%0.7370%0.704SS**  trans-75.375.1164.6-166.70000109.5S207 K211S207-C209 PolarHBondContact O-N 3.33Å; C209-K211 PolarHBondContact O-N 3.04Å; C209-K211 VanDerWaalsContact O-N 3.11Å
210S66.4Low61.2Low108 Ų108119.5 Ų119.576%0.75570%0.7SS**  trans-56.1115.7170-61.90000109.1T208T208-S210 PolarHBondContact O-N 3.5Å
211K73.8Confident63.2Low189 Ų189120.8 Ų120.882%0.82270%0.696SS**PPolyproline II helixtrans-56.5141.9173-65178.8-178.31770108.9C209C209-K211 PolarHBondContact O-N 3.04Å; C209-K211 VanDerWaalsContact O-N 3.11Å
212P76.6Confident65Low115 Ų115118.4 Ų118.475%0.74769%0.69SS**PPolyproline II helixtrans-57.8147.1171.726.4-34.1000109.8
213P78.6Confident66.6Low86 Ų86115.8 Ų115.856%0.55869%0.689SS**PPolyproline II helixtrans-58.4157.5176.225.1-33.8000111.4D217 I218P213-D217 HydrophobicContact CB-CB 4.28Å; P213-I218 HydrophobicContact CG-CD1 4.24Å; P213-I218 HydrophobicContact CG-CG1 4.41Å
214A80.3Confident68Low44 Ų44115.7 Ų115.736%0.36469%0.686SS.*PPolyproline II helixtrans-65.8153.9178.300000110.4E216 D217A214-E216 PolarHBondContact O-N 2.8Å; A214-D217 WeakPolarHBondContact CB-OD2 3.36Å; A214-D217 PolarHBondContact N-OD2 2.76Å; A214-D217 WeakPolarHBondContact O-CB 3.36Å; A214-D217 PolarHBondContact O-N 3.13Å; A214-D217 VanDerWaalsContact O-N 3.07Å
215Y71.1Confident69Low158 Ų158120.6 Ų120.662%0.6269%0.689SS**Hα-helixtrans-59.3-35.2177.7174.5-99.2000111.1D217 I218 H219Y215-D217 VanDerWaalsContact C-N 3.34Å; Y215-D217 PolarHBondContact O-N 2.85Å; Y215-I218 PolarHBondContact O-N 2.91Å; Y215-H219 AromaticContact CD2-CD2 3.92Å; Y215-H219 HydrophobicContact CE1-CB 4.32Å; Y215-H219 AromaticContact CE2-CD2 3.49Å; Y215-H219 VanDerWaalsContact CE2-CD2 3.49Å; Y215-H219 WeakPolarHBondContact CE2-CD2 3.44Å; Y215-H219 AromaticContact CZ-CD2 3.84Å; Y215-H219 PolarHBondContact O-N 2.98Å
216E80.5Confident70.2Confident133 Ų133120 Ų12062%0.62169%0.686SS**Hα-helixtrans-68-26.4177.9-64.865.7-147.400113.4A214 I218 H219A214-E216 PolarHBondContact O-N 2.8Å; E216-I218 VanDerWaalsContact C-N 3.33Å; E216-H219 CarbonylContact O-C 3.6Å
217D76.3Confident70.6Confident119 Ų119122.6 Ų122.664%0.63669%0.693SS**Hα-helixtrans-72.3-30.4174.3-60.8-40.1000111.3P213 A214 Y215P213-D217 HydrophobicContact CB-CB 4.28Å; A214-D217 WeakPolarHBondContact CB-OD2 3.36Å; A214-D217 PolarHBondContact N-OD2 2.76Å; A214-D217 WeakPolarHBondContact O-CB 3.36Å; A214-D217 PolarHBondContact O-N 3.13Å; A214-D217 VanDerWaalsContact O-N 3.07Å; Y215-D217 VanDerWaalsContact C-N 3.34Å; Y215-D217 PolarHBondContact O-N 2.85Å
218I82.5Confident71.2Confident104 Ų104126.7 Ų126.753%0.53373%0.732SS.*Hα-helixtrans-88.9-35.5-178.7-52.4173.2000110.6P213 Y215 E216 P220P213-I218 HydrophobicContact CG-CD1 4.24Å; P213-I218 HydrophobicContact CG-CG1 4.41Å; Y215-I218 PolarHBondContact O-N 2.91Å; E216-I218 VanDerWaalsContact C-N 3.33Å; I218-P220 WeakPolarHBondContact O-CD 3.18Å
219H76.8Confident72Confident108 Ų108126.4 Ų126.450%0.573%0.729SS.*SBendtrans-120.777.4-176.6-67.5-67.5000111.6Y215 E216 S221Y215-H219 AromaticContact CD2-CD2 3.92Å; Y215-H219 HydrophobicContact CE1-CB 4.32Å; Y215-H219 AromaticContact CE2-CD2 3.49Å; Y215-H219 VanDerWaalsContact CE2-CD2 3.49Å; Y215-H219 WeakPolarHBondContact CE2-CD2 3.44Å; Y215-H219 AromaticContact CZ-CD2 3.84Å; Y215-H219 PolarHBondContact O-N 2.98Å; E216-H219 CarbonylContact O-C 3.6Å; H219-S221 PolarHBondContact O-N 3.02Å
220P78.9Confident73.1Confident109 Ų109127.4 Ų127.471%0.70873%0.729SS**PPolyproline II helixtrans-59.5126.7174.125.1-34.4000110.5I218I218-P220 WeakPolarHBondContact O-CD 3.18Å
221S76.7Confident73.4Confident106 Ų106128.4 Ų128.474%0.74173%0.727SS**PPolyproline II helixtrans-60.9137.6-178.559.30000111.5H219H219-S221 PolarHBondContact O-N 3.02Å
222P79.1Confident73.4Confident112 Ų112124.9 Ų124.973%0.72772%0.721SS**PPolyproline II helixtrans-60.3146.1176.826.6-34.7000110.8K224P222-K224 PolarHBondContact O-N 3.38Å
223P73.3Confident73.2Confident126 Ų126125.5 Ų125.582%0.81872%0.72SS**PPolyproline II helixtrans-61131.8-178.925.5-34000110.3H225P223-H225 PolarHBondContact O-N 3.46Å; P223-H225 VanDerWaalsContact O-N 3.17Å
224K69.7Low72.9Confident189 Ų189128.1 Ų128.182%0.82273%0.731SS**PPolyproline II helixtrans-61.5119.3167.1-83.5-175.7173.6-179.90108.3P222 D226P222-K224 PolarHBondContact O-N 3.38Å; K224-D226 PolarHBondContact O-N 3.31Å
225H64.8Low72.3Confident176 Ų176134.1 Ų134.182%0.81576%0.757SS**  trans-80.695.2168.5-143.6-58.9000107.1P223 S227P223-H225 PolarHBondContact O-N 3.46Å; P223-H225 VanDerWaalsContact O-N 3.17Å; H225-S227 PolarHBondContact O-N 3.4Å; H225-S227 VanDerWaalsContact O-N 3.15Å
226D68.6Low72.4Confident142 Ų142132.3 Ų132.376%0.75977%0.767SS**  trans-66.8111.9171.8-71.7-31000108K224K224-D226 PolarHBondContact O-N 3.31Å
227S59.2Low71.8Confident119 Ų119132.3 Ų132.383%0.83278%0.78SS**  trans-86.4124.5178.5-62.40000110.2H225H225-S227 PolarHBondContact O-N 3.4Å; H225-S227 VanDerWaalsContact O-N 3.15Å
228A55.3Low71.4Confident177 Ų177133.5 Ų133.5100%1.46379%0.793SS**  trans-123.40172.400000109.9

Retrieved 228 of 228 residues in 195.8 ms (Link to these results)