A0A061AIU7_CAEEL Loading...

Recep_L_domain domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AIU7, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 242 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
1M31.5Very low31Very low252 Ų252137.3 Ų137.3100%1.24173%0.725SS**  01000-67172.2-174.400107.7
2R25.7Very low31Very low253 Ų253130.7 Ų130.796%0.95569%0.691SS**  trans-118.2133.1167.7-83.8-176.3-177.1170.71.4106.3G4R2-G4 PolarHBondContact O-N 3.06Å
3A27.8Very low31Very low97 Ų97131.8 Ų131.880%0.80269%0.69SS**PPolyproline II helixtrans-52.7126.6-170.100000111.6H5A3-H5 PolarHBondContact O-N 3.38Å
4G29.8Very low31.2Very low70 Ų70126.5 Ų126.572%0.72266%0.662SS**PPolyproline II helixtrans-66.5124.2166.500000108.4R2 V6R2-G4 PolarHBondContact O-N 3.06Å; G4-V6 PolarHBondContact O-N 2.62Å
5H32.6Very low31.5Very low193 Ų193123.1 Ų123.189%0.89464%0.644SS**PPolyproline II helixtrans-61.3130.5164-81.1-81.6000108A3 Y7A3-H5 PolarHBondContact O-N 3.38Å; H5-Y7 PolarHBondContact O-N 3.32Å
6V34.1Very low31.7Very low137 Ų137122.4 Ų122.483%0.8364%0.636SS**PPolyproline II helixtrans-62.4120.1177.5177.10000107.5G4 D8G4-V6 PolarHBondContact O-N 2.62Å; V6-D8 PolarHBondContact O-N 3.28Å
7Y28.1Very low31.9Very low165 Ų165119.6 Ų119.665%0.64762%0.622SS**PPolyproline II helixtrans-65.6117.3174.9-160.1-100.3000108.2H5 P9H5-Y7 PolarHBondContact O-N 3.32Å; Y7-P9 HydrophobicContact CD1-CB 4.42Å; Y7-P9 HydrophobicContact CE1-CB 4.41Å; Y7-P9 WeakPolarHBondContact O-CD 3.42Å
8D33.9Very low32.2Very low79 Ų79116.6 Ų116.642%0.42263%0.626SS.*  trans-106.594.7175.1-164.4-24000108.9V6 L10 I11 D12V6-D8 PolarHBondContact O-N 3.28Å; D8-L10 PolarHBondContact O-N 2.85Å; D8-L10 PolarHBondContact OD1-N 3.42Å; D8-I11 PolarHBondContact O-N 3.33Å; D8-D12 PolarHBondContact O-N 3.29Å
9P32.4Very low32.6Very low75 Ų75112.4 Ų112.449%0.48761%0.605SS.*Hα-helixtrans-66-9.1-169.425.5-33.3000113.9Y7 H13Y7-P9 HydrophobicContact CD1-CB 4.42Å; Y7-P9 HydrophobicContact CE1-CB 4.41Å; Y7-P9 WeakPolarHBondContact O-CD 3.42Å; P9-H13 WeakPolarHBondContact O-CB 3.4Å; P9-H13 PolarHBondContact O-CD2 3.38Å
10L33Very low32.6Very low92 Ų92115.5 Ų115.548%0.48261%0.608SS.*Hα-helixtrans-87.3-36.6178-141.885.1000112.6D8 Y37D8-L10 PolarHBondContact O-N 2.85Å; D8-L10 PolarHBondContact OD1-N 3.42Å; L10-Y37 VanDerWaalsContact CD2-O 3.29Å; L10-Y37 WeakPolarHBondContact CD2-O 3.36Å
11I31.7Very low32.3Very low97 Ų97120 Ų12050%0.49762%0.618SS.*Hα-helixtrans-81.2-41.3-179.8-70.8164.5000110.2D8 L14 L15D8-I11 PolarHBondContact O-N 3.33Å; I11-L14 PolarHBondContact O-N 2.86Å; I11-L15 HydrophobicContact CG2-CD1 3.78Å; I11-L15 WeakPolarHBondContact O-CD1 3.48Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.3Å; I11-L15 PolarHBondContact O-N 3.29Å
12D31.6Very low32.7Very low58 Ų58113.8 Ų113.831%0.3160%0.597SS.*Hα-helixtrans-74.1-28.7-177.5-70.7-26.3000112.4D8 L15 E16D8-D12 PolarHBondContact O-N 3.29Å; D12-L15 PolarHBondContact O-N 2.8Å; D12-E16 PolarHBondContact O-N 3.29Å; D12-E16 VanDerWaalsContact O-N 3.1Å
13H31.3Very low33.5Very low146 Ų146105.2 Ų105.268%0.67657%0.573SS**Hα-helixtrans-73.9-25.9173.5-97.5-41.8000114.5P9 L15P9-H13 WeakPolarHBondContact O-CB 3.4Å; P9-H13 PolarHBondContact O-CD2 3.38Å; H13-L15 VanDerWaalsContact C-N 3.27Å
14L34.1Very low34.4Very low57 Ų57111.7 Ų111.730%0.29858%0.576SS.*Hα-helixtrans-76.8-18.5171.3-78165.9000112I11 I33I11-L14 PolarHBondContact O-N 2.86Å; L14-I33 HydrophobicContact CD1-CG2 3.59Å
15L35.3Very low35.2Very low75 Ų75111.2 Ų111.239%0.39356%0.555SS.*Hα-helixtrans-99-21.9-175.4-72.7170.8000114.6I11 D12 H13I11-L15 HydrophobicContact CG2-CD1 3.78Å; I11-L15 WeakPolarHBondContact O-CD1 3.48Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.3Å; I11-L15 PolarHBondContact O-N 3.29Å; D12-L15 PolarHBondContact O-N 2.8Å; H13-L15 VanDerWaalsContact C-N 3.27Å
16E33.8Very low36.1Very low112 Ų112103.4 Ų103.452%0.52352%0.521SS..SBendtrans-77.1-30.3-168.2-87.6-170.3156.500116.3D12 R20D12-E16 PolarHBondContact O-N 3.29Å; D12-E16 VanDerWaalsContact O-N 3.1Å; E16-R20 PolarHBondContact O-NE 2.94Å
17D36.1Very low37.1Very low75 Ų75104.5 Ų104.540%0.40152%0.515SS..SBendtrans-156.840.1179.9-88.3-45.9000117R20 F143D17-R20 IonicContact OD1-CZ 2.72Å; D17-R20 IonicContact OD1-NE 2.68Å; D17-R20 PolarHBondContact OD1-NE 2.86Å; D17-R20 IonicContact OD1-NH2 3.92Å; D17-R20 PolarHBondContact OD1-NH2 3.49Å; D17-R20 IonicContact OD2-CZ 3.83Å; D17-R20 IonicContact OD2-NE 3.09Å; D17-R20 IonicContact OD2-NH2 2.96Å; D17-R20 PolarHBondContact OD2-NH2 3.4Å; D17-F143 HydrophobicContact CB-CD1 3.98Å; D17-F143 HydrophobicContact CB-CE1 3.56Å; D17-F143 HydrophobicContact CB-CZ 3.93Å; D17-F143 WeakPolarHBondContact OD2-CE1 3.49Å; D17-F143 WeakPolarHBondContact OD2-CZ 3.26Å
18G37.3Very low38.3Very low66 Ų6698 Ų9868%0.6849%0.492SS*.SBendtrans-127.2-24.2165.600000114.1
19C39.2Very low39.3Very low36 Ų3694.5 Ų94.524%0.24347%0.473CS..SBendtrans-146.167177.7-45.70000109.3Y21 C89C19-Y21 PolarHBondContact O-N 2.86Å; C19-Y21 VanDerWaalsContact O-N 3.12Å; C19-C89 HydrophobicContact CB-CB 4.06Å; C19-C89 WeakPolarHBondContact CB-SG 3.27Å; C19-C89 WeakPolarHBondContact SG-CB 3.46Å; C19-C89 CovalentContact SG-SG 2.02Å; C19-C89 PolarHBondContact SG-SG 3.33Å
20R33.2Very low40.4Very low174 Ų17498 Ų9866%0.65748%0.476SS*.  trans-65.5112.7176.9-88.4-169.1-177.5-1788.7111.1E16 D17E16-R20 PolarHBondContact O-NE 2.94Å; D17-R20 IonicContact OD1-CZ 2.72Å; D17-R20 IonicContact OD1-NE 2.68Å; D17-R20 PolarHBondContact OD1-NE 2.86Å; D17-R20 IonicContact OD1-NH2 3.92Å; D17-R20 PolarHBondContact OD1-NH2 3.49Å; D17-R20 IonicContact OD2-CZ 3.83Å; D17-R20 IonicContact OD2-NE 3.09Å; D17-R20 IonicContact OD2-NH2 2.96Å; D17-R20 PolarHBondContact OD2-NH2 3.4Å
21Y26Very low41.7Very low210 Ų21096.7 Ų96.782%0.82447%0.468SS*.SBendtrans64.5147.7157.5-99.1-92.9000119.7C19 V23C19-Y21 PolarHBondContact O-N 2.86Å; C19-Y21 VanDerWaalsContact O-N 3.12Å; Y21-V23 PolarHBondContact O-N 3.24Å
22P39.4Very low43Very low122 Ų12292.1 Ų92.179%0.79244%0.444SS*.  -6974-101.438.6-22.2000110.8R24P22-R24 PolarHBondContact O-N 2.76Å
23V42.9Very low44.3Very low74 Ų7491 Ų9145%0.44844%0.438SS..  trans-69.6110162.7-170.30000104.2Y21 Q25Y21-V23 PolarHBondContact O-N 3.24Å; V23-Q25 VanDerWaalsContact C-N 3.31Å; V23-Q25 PolarHBondContact O-N 2.84Å
24R45.7Very low45.8Very low233 Ų23390.3 Ų90.388%0.87944%0.435SS*.  trans-50103.4173.8-80.2-179.8175.6176.7-1.2106.5P22 T26P22-R24 PolarHBondContact O-N 2.76Å; R24-T26 PolarHBondContact O-N 3.33Å; R24-T26 VanDerWaalsContact O-N 3.1Å
25Q47.7Very low47Very low59 Ų5989.1 Ų89.128%0.27643%0.43SS..  trans-50.1124.5168.7-77.6177.5-19.600106V23 E29V23-Q25 VanDerWaalsContact C-N 3.31Å; V23-Q25 PolarHBondContact O-N 2.84Å; Q25-E29 WeakPolarHBondContact CA-OE2 3.31Å
26T50.8Low48.1Very low29 Ų2985.5 Ų85.518%0.17841%0.411CS..  trans-65.4155.3177.964.50000107.9R24 L28 E29 R30R24-T26 PolarHBondContact O-N 3.33Å; R24-T26 VanDerWaalsContact O-N 3.1Å; T26-L28 PolarHBondContact O-N 3.24Å; T26-E29 PolarHBondContact N-OE2 3.24Å; T26-E29 PolarHBondContact O-N 2.82Å; T26-E29 VanDerWaalsContact O-N 3.14Å; T26-E29 WeakPolarHBondContact OG1-CG 3.45Å; T26-E29 PolarHBondContact OG1-N 3.24Å; T26-E29 PolarHBondContact OG1-OE2 2.91Å; T26-R30 PolarHBondContact O-N 2.9Å; T26-R30 VanDerWaalsContact O-N 3.09Å
27F56.7Low49.2Very low160 Ų16081.8 Ų81.870%0.70239%0.392SS*.Hα-helixtrans-53.2-39.8178176.8-93.8000111.3R30 E31F27-R30 PolarHBondContact O-N 3.43Å; F27-E31 VanDerWaalsContact CE1-OE2 3.31Å; F27-E31 WeakPolarHBondContact CE1-OE2 3.35Å; F27-E31 WeakPolarHBondContact O-CB 3.36Å; F27-E31 PolarHBondContact O-N 3.3Å
28L53Low50Low30 Ų3080.5 Ų80.516%0.15740%0.397CS..Hα-helixtrans-65.5-41.6178.5-64174000113.4T26 R30 F32 I160T26-L28 PolarHBondContact O-N 3.24Å; L28-R30 VanDerWaalsContact C-N 3.33Å; L28-F32 VanDerWaalsContact O-CB 3.26Å; L28-F32 WeakPolarHBondContact O-CB 3.29Å; L28-F32 PolarHBondContact O-N 3.42Å; L28-I160 HydrophobicContact CD2-CD1 3.59Å; L28-I160 HydrophobicContact CD2-CG1 4.1Å
29E53.1Low50.8Low4 Ų484.9 Ų84.92%0.01941%0.405CS..Hα-helixtrans-65.4-39.8176.7-74.1162.4162.500111.3Q25 T26 I33 C89 S90 L95Q25-E29 WeakPolarHBondContact CA-OE2 3.31Å; T26-E29 PolarHBondContact N-OE2 3.24Å; T26-E29 PolarHBondContact O-N 2.82Å; T26-E29 VanDerWaalsContact O-N 3.14Å; T26-E29 WeakPolarHBondContact OG1-CG 3.45Å; T26-E29 PolarHBondContact OG1-N 3.24Å; T26-E29 PolarHBondContact OG1-OE2 2.91Å; E29-I33 WeakPolarHBondContact O-CB 3.32Å; E29-I33 WeakPolarHBondContact O-CD1 3.18Å; E29-I33 WeakPolarHBondContact O-CG1 3.4Å; E29-I33 PolarHBondContact O-N 3.43Å; E29-C89 WeakPolarHBondContact OE1-CA 3.32Å; E29-S90 PolarHBondContact OE1-N 2.9Å; E29-L95 HydrophobicContact CG-CD1 3.81Å
30R57.3Low51.4Low148 Ų14884.7 Ų84.756%0.55840%0.403SS*.Hα-helixtrans-67-46.8177-174.6-179.7-64.5174.7-0.1111.6T26 F27 L28 F32 I33 E34T26-R30 PolarHBondContact O-N 2.9Å; T26-R30 VanDerWaalsContact O-N 3.09Å; F27-R30 PolarHBondContact O-N 3.43Å; L28-R30 VanDerWaalsContact C-N 3.33Å; R30-F32 VanDerWaalsContact C-N 3.32Å; R30-F32 PolarHBondContact O-N 3.36Å; R30-I33 PolarHBondContact O-N 2.9Å; R30-E34 WeakPolarHBondContact O-CB 3.37Å; R30-E34 PolarHBondContact O-N 3.46Å
31E58.7Low52.3Low66 Ų6681.4 Ų81.431%0.30840%0.402SS..Hα-helixtrans-58.6-46177-173.5175.2-157.800110.6F27 I33 E34 V35 F56F27-E31 VanDerWaalsContact CE1-OE2 3.31Å; F27-E31 WeakPolarHBondContact CE1-OE2 3.35Å; F27-E31 WeakPolarHBondContact O-CB 3.36Å; F27-E31 PolarHBondContact O-N 3.3Å; E31-I33 PolarHBondContact O-N 2.96Å; E31-E34 PolarHBondContact O-N 2.93Å; E31-V35 VanDerWaalsContact O-CB 3.24Å; E31-V35 WeakPolarHBondContact O-CB 3.25Å; E31-V35 WeakPolarHBondContact O-CG2 3.49Å; E31-V35 PolarHBondContact O-N 3.25Å; E31-F56 HydrophobicContact CG-CZ 4.27Å
32F59.2Low53.7Low0 Ų074.4 Ų74.40%039%0.394CS..Hα-helixtrans-60.1-47174.5-178.4-86.5000112.2L28 R30 E34 V35 V36 Y37 I51 F56 P87 L95 L97L28-F32 VanDerWaalsContact O-CB 3.26Å; L28-F32 WeakPolarHBondContact O-CB 3.29Å; L28-F32 PolarHBondContact O-N 3.42Å; R30-F32 VanDerWaalsContact C-N 3.32Å; R30-F32 PolarHBondContact O-N 3.36Å; F32-E34 VanDerWaalsContact C-N 3.33Å; F32-E34 PolarHBondContact O-N 2.98Å; F32-V35 PolarHBondContact O-N 3.32Å; F32-V36 HydrophobicContact CD1-CB 4.41Å; F32-V36 HydrophobicContact CD1-CG2 4.08Å; F32-V36 HydrophobicContact CD2-CG2 3.96Å; F32-V36 HydrophobicContact CE1-CB 4.12Å; F32-V36 HydrophobicContact CE1-CG1 4.27Å; F32-V36 HydrophobicContact CE1-CG2 3.85Å; F32-V36 HydrophobicContact CE2-CG2 3.77Å; F32-V36 HydrophobicContact CG-CG2 4.13Å; F32-V36 HydrophobicContact CZ-CB 4.35Å; F32-V36 HydrophobicContact CZ-CG1 4.35Å; F32-V36 HydrophobicContact CZ-CG2 3.69Å; F32-V36 WeakPolarHBondContact O-CB 3.26Å; F32-V36 WeakPolarHBondContact O-CG2 3.41Å; F32-V36 PolarHBondContact O-N 2.96Å; F32-Y37 HydrophobicContact CE1-CE2 4.26Å; F32-I51 HydrophobicContact CD2-CG1 4.49Å; F32-I51 HydrophobicContact CE2-CD1 3.48Å; F32-I51 VanDerWaalsContact CE2-CD1 3.48Å; F32-I51 HydrophobicContact CE2-CG1 3.64Å; F32-I51 HydrophobicContact CE2-CG2 4.22Å; F32-I51 HydrophobicContact CZ-CD1 3.42Å; F32-I51 VanDerWaalsContact CZ-CD1 3.42Å; F32-I51 HydrophobicContact CZ-CG1 4.04Å; F32-F56 HydrophobicContact CD2-CD1 4.41Å; F32-F56 HydrophobicContact CD2-CG 4.37Å; F32-P87 HydrophobicContact CD1-CB 3.91Å; F32-P87 HydrophobicContact CD1-CG 4.01Å; F32-P87 HydrophobicContact CE1-CB 3.94Å; F32-P87 HydrophobicContact CE1-CG 3.98Å; F32-L95 HydrophobicContact CB-CD1 4.46Å; F32-L95 HydrophobicContact CB-CD2 4.04Å; F32-L95 HydrophobicContact CD2-CD2 3.7Å; F32-L95 HydrophobicContact CE2-CD2 4.39Å; F32-L95 HydrophobicContact CG-CD1 4.5Å; F32-L95 HydrophobicContact CG-CD2 3.99Å; F32-L97 HydrophobicContact CE1-CD1 4.27Å; F32-L97 HydrophobicContact CE2-CD1 3.93Å; F32-L97 HydrophobicContact CZ-CD1 3.39Å
33I60.4Low54.7Low34 Ų3476.8 Ų76.817%0.17439%0.388CS..Hα-helixtrans-61.7-44.6-179.6-73.7166000110.9L14 E29 R30 E31 Y37 G38 P87L14-I33 HydrophobicContact CD1-CG2 3.59Å; E29-I33 WeakPolarHBondContact O-CB 3.32Å; E29-I33 WeakPolarHBondContact O-CD1 3.18Å; E29-I33 WeakPolarHBondContact O-CG1 3.4Å; E29-I33 PolarHBondContact O-N 3.43Å; R30-I33 PolarHBondContact O-N 2.9Å; E31-I33 PolarHBondContact O-N 2.96Å; I33-Y37 HydrophobicContact CG2-CD2 4.41Å; I33-Y37 WeakPolarHBondContact O-CA 3.35Å; I33-Y37 WeakPolarHBondContact O-CB 3.48Å; I33-Y37 PolarHBondContact O-N 3.49Å; I33-G38 PolarHBondContact O-N 3.36Å; I33-P87 HydrophobicContact CG1-CG 4.11Å
34E61.2Low55.4Low132 Ų13274.8 Ų74.862%0.61738%0.376SS*.Hα-helixtrans-64.4-43.5179.7-173.2172.9-179.500111.8R30 E31 F32 G38R30-E34 WeakPolarHBondContact O-CB 3.37Å; R30-E34 PolarHBondContact O-N 3.46Å; E31-E34 PolarHBondContact O-N 2.93Å; F32-E34 VanDerWaalsContact C-N 3.33Å; F32-E34 PolarHBondContact O-N 2.98Å; E34-G38 WeakPolarHBondContact O-CA 3.3Å; E34-G38 PolarHBondContact O-N 3.28Å
35V59.8Low56.1Low32 Ų3266.8 Ų66.819%0.19436%0.356CS..Hα-helixtrans-65.6-48.5178.1161.80000111.6E31 F32 T50 D54 F56E31-V35 VanDerWaalsContact O-CB 3.24Å; E31-V35 WeakPolarHBondContact O-CB 3.25Å; E31-V35 WeakPolarHBondContact O-CG2 3.49Å; E31-V35 PolarHBondContact O-N 3.25Å; F32-V35 PolarHBondContact O-N 3.32Å; V35-T50 HydrophobicContact CG1-CG2 3.44Å; V35-T50 VanDerWaalsContact CG1-CG2 3.44Å; V35-D54 WeakPolarHBondContact CG1-OD2 3.5Å; V35-F56 HydrophobicContact CG1-CE2 4.32Å
36V57.8Low56.8Low0 Ų064.5 Ų64.50%035%0.348CS..Hα-helixtrans-84.6-34.4-169178.50000112.5F32 R47 I51F32-V36 HydrophobicContact CD1-CB 4.41Å; F32-V36 HydrophobicContact CD1-CG2 4.08Å; F32-V36 HydrophobicContact CD2-CG2 3.96Å; F32-V36 HydrophobicContact CE1-CB 4.12Å; F32-V36 HydrophobicContact CE1-CG1 4.27Å; F32-V36 HydrophobicContact CE1-CG2 3.85Å; F32-V36 HydrophobicContact CE2-CG2 3.77Å; F32-V36 HydrophobicContact CG-CG2 4.13Å; F32-V36 HydrophobicContact CZ-CB 4.35Å; F32-V36 HydrophobicContact CZ-CG1 4.35Å; F32-V36 HydrophobicContact CZ-CG2 3.69Å; F32-V36 WeakPolarHBondContact O-CB 3.26Å; F32-V36 WeakPolarHBondContact O-CG2 3.41Å; F32-V36 PolarHBondContact O-N 2.96Å; V36-R47 HydrophobicContact CG1-CB 3.87Å; V36-R47 HydrophobicContact CG1-CG 4.13Å; V36-R47 WeakPolarHBondContact O-CG 3.35Å; V36-I51 HydrophobicContact CG1-CD1 4.09Å; V36-I51 HydrophobicContact CG1-CG1 4.47Å; V36-I51 HydrophobicContact CG2-CD1 3.68Å; V36-I51 HydrophobicContact CG2-CG1 3.3Å
37Y57.4Low57.4Low33 Ų3365.5 Ų65.513%0.12935%0.349CS..Hα-helixtrans-112.5-19.5-176.5-57.4-86.9000113.4L10 F32 I33 L85L10-Y37 VanDerWaalsContact CD2-O 3.29Å; L10-Y37 WeakPolarHBondContact CD2-O 3.36Å; F32-Y37 HydrophobicContact CE1-CE2 4.26Å; I33-Y37 HydrophobicContact CG2-CD2 4.41Å; I33-Y37 WeakPolarHBondContact O-CA 3.35Å; I33-Y37 WeakPolarHBondContact O-CB 3.48Å; I33-Y37 PolarHBondContact O-N 3.49Å; Y37-L85 PolarHBondContact OH-O 3.41Å
38G53.6Low57.7Low49 Ų4957.9 Ų57.951%0.50532%0.316SS..Hα-helixtrans-81.2-28.6-175.600000115.3I33 E34I33-G38 PolarHBondContact O-N 3.36Å; E34-G38 WeakPolarHBondContact O-CA 3.3Å; E34-G38 PolarHBondContact O-N 3.28Å
39N53.4Low58.4Low157 Ų15761 Ų6184%0.8433%0.329SS*.SBendtrans-124.8-4.9-170.1-105.2-15000116.2
40V53.3Low59Low33 Ų3362 Ų6220%0.234%0.335CS..SBendtrans-111130.2-168.3-1670000111.7G42 T50V40-G42 PolarHBondContact O-N 3.45Å; V40-T50 HydrophobicContact CG2-CG2 4.31Å; V40-T50 WeakPolarHBondContact CG2-OG1 3.36Å
41T51.8Low59.4Low105 Ų10554.9 Ų54.964%0.64431%0.309SS*.  trans-45.1135.7169.1520000110.3Y43T41-Y43 PolarHBondContact O-N 2.99Å
42G54.5Low59.8Low63 Ų6353.8 Ų53.865%0.64931%0.306SS*.SBendtrans-59.220.5-165.600000119.7V40V40-G42 PolarHBondContact O-N 3.45Å
43Y59.9Low60.3Low171 Ų17160.1 Ų60.167%0.67134%0.336SS*.  trans-91.8132.4173.2-60.1-75.6000111.5T41 S45 G46 R47T41-Y43 PolarHBondContact O-N 2.99Å; Y43-S45 VanDerWaalsContact C-N 3.26Å; Y43-S45 PolarHBondContact O-N 3.44Å; Y43-G46 PolarHBondContact O-N 2.98Å; Y43-G46 VanDerWaalsContact O-N 3.12Å; Y43-R47 PolarHBondContact O-N 3.44Å
44V58.6Low60.6Low33 Ų3362.5 Ų62.520%0.235%0.349CS..Hα-helixtrans-58.9-35.6-179174.90000112.2G46 R47 I48 V82 E83V44-G46 VanDerWaalsContact C-N 3.34Å; V44-G46 PolarHBondContact O-N 2.73Å; V44-R47 WeakPolarHBondContact O-CB 3.28Å; V44-R47 PolarHBondContact O-N 3.36Å; V44-I48 HydrophobicContact CG1-CD1 3.98Å; V44-I48 HydrophobicContact CG1-CG1 4.37Å; V44-I48 WeakPolarHBondContact O-CG1 3.48Å; V44-I48 PolarHBondContact O-N 2.89Å; V44-V82 HydrophobicContact CG1-CG1 4.07Å; V44-V82 WeakPolarHBondContact CG1-O 3.13Å; V44-E83 VanDerWaalsContact CG2-O 3.29Å; V44-E83 WeakPolarHBondContact CG2-O 3.42Å
45S59.8Low60.7Low64 Ų6457.4 Ų57.445%0.44833%0.332SS..Hα-helixtrans-59.1-41.1175.853.10000113.1Y43 R47 I48 Q49Y43-S45 VanDerWaalsContact C-N 3.26Å; Y43-S45 PolarHBondContact O-N 3.44Å; S45-R47 VanDerWaalsContact C-N 3.35Å; S45-I48 PolarHBondContact O-N 3.34Å; S45-Q49 WeakPolarHBondContact O-CB 3.25Å; S45-Q49 PolarHBondContact O-N 3.02Å
46G63.1Low60.6Low12 Ų1257.2 Ų57.212%0.12433%0.329CS..Hα-helixtrans-68.1-36.2177.500000112.3Y43 V44 Q49 T50Y43-G46 PolarHBondContact O-N 2.98Å; Y43-G46 VanDerWaalsContact O-N 3.12Å; V44-G46 VanDerWaalsContact C-N 3.34Å; V44-G46 PolarHBondContact O-N 2.73Å; G46-Q49 PolarHBondContact O-N 2.92Å; G46-T50 PolarHBondContact O-N 2.85Å; G46-T50 PolarHBondContact O-OG1 3.34Å
47R63.7Low60.9Low49 Ų4957.5 Ų57.519%0.18533%0.33CS..Hα-helixtrans-65-43.9175.9-65.8-171.7-171.71600.8111.8V36 Y43 V44 S45 T50 I51 L85V36-R47 HydrophobicContact CG1-CB 3.87Å; V36-R47 HydrophobicContact CG1-CG 4.13Å; V36-R47 WeakPolarHBondContact O-CG 3.35Å; Y43-R47 PolarHBondContact O-N 3.44Å; V44-R47 WeakPolarHBondContact O-CB 3.28Å; V44-R47 PolarHBondContact O-N 3.36Å; S45-R47 VanDerWaalsContact C-N 3.35Å; R47-T50 PolarHBondContact O-N 3.43Å; R47-I51 WeakPolarHBondContact O-CG1 3.46Å; R47-I51 PolarHBondContact O-N 3.48Å; R47-L85 HydrophobicContact CB-CD1 4.37Å
48I62.2Low61.4Low1 Ų159 Ų591%0.00534%0.341CS..Hα-helixtrans-65.6-44.5176.8-52.7158.4000110.1V44 S45 T50 I51 V52 W59 Y79 V82 L85V44-I48 HydrophobicContact CG1-CD1 3.98Å; V44-I48 HydrophobicContact CG1-CG1 4.37Å; V44-I48 WeakPolarHBondContact O-CG1 3.48Å; V44-I48 PolarHBondContact O-N 2.89Å; S45-I48 PolarHBondContact O-N 3.34Å; I48-T50 PolarHBondContact O-N 2.95Å; I48-I51 PolarHBondContact O-N 3.05Å; I48-I51 VanDerWaalsContact O-N 3.16Å; I48-V52 HydrophobicContact CG2-CG2 4.18Å; I48-V52 VanDerWaalsContact O-CG2 3.25Å; I48-V52 WeakPolarHBondContact O-CG2 3.25Å; I48-V52 PolarHBondContact O-N 2.99Å; I48-W59 HydrophobicContact CG2-CE3 4.39Å; I48-W59 HydrophobicContact CG2-CZ3 4.27Å; I48-Y79 HydrophobicContact CB-CD1 3.8Å; I48-Y79 HydrophobicContact CB-CE1 3.71Å; I48-Y79 HydrophobicContact CB-CG 4.5Å; I48-Y79 HydrophobicContact CD1-CD1 3.41Å; I48-Y79 VanDerWaalsContact CD1-CD1 3.41Å; I48-Y79 HydrophobicContact CD1-CE1 4.19Å; I48-Y79 HydrophobicContact CD1-CG 3.94Å; I48-Y79 HydrophobicContact CG1-CD1 4.17Å; I48-Y79 HydrophobicContact CG2-CD1 3.55Å; I48-Y79 HydrophobicContact CG2-CE1 3.08Å; I48-V82 HydrophobicContact CD1-CB 3.56Å; I48-V82 HydrophobicContact CD1-CG1 3.53Å; I48-V82 HydrophobicContact CD1-CG2 4.04Å; I48-V82 HydrophobicContact CG1-CG1 4.31Å; I48-L85 HydrophobicContact CB-CD1 3.97Å; I48-L85 HydrophobicContact CD1-CD1 4.46Å; I48-L85 HydrophobicContact CG1-CD1 3.22Å; I48-L85 HydrophobicContact CG1-CD2 4.32Å; I48-L85 HydrophobicContact CG1-CG 3.84Å; I48-L85 HydrophobicContact CG2-CD1 4.47Å
49Q67.4Low62.1Low95 Ų9557 Ų5744%0.44432%0.318SS..Hα-helixtrans-54-44176.7-179175.7-1.500111.6S45 G46 I51 V52 E53S45-Q49 WeakPolarHBondContact O-CB 3.25Å; S45-Q49 PolarHBondContact O-N 3.02Å; G46-Q49 PolarHBondContact O-N 2.92Å; Q49-I51 PolarHBondContact O-N 2.87Å; Q49-V52 PolarHBondContact O-N 3.12Å; Q49-E53 HydrophobicContact CG-CG 4.25Å; Q49-E53 VanDerWaalsContact CG-OE1 3.3Å; Q49-E53 WeakPolarHBondContact CG-OE1 3.25Å; Q49-E53 PolarHBondContact NE2-OE1 2.91Å; Q49-E53 WeakPolarHBondContact O-CB 3.47Å; Q49-E53 WeakPolarHBondContact O-CG 2.97Å; Q49-E53 PolarHBondContact O-N 2.86Å
50T66.9Low62.7Low24 Ų2454.3 Ų54.315%0.14730%0.303CS..Hα-helixtrans-63.8-43.4179.6-50.70000112.1V35 V40 G46 R47 I48 V52 E53 D54V35-T50 HydrophobicContact CG1-CG2 3.44Å; V35-T50 VanDerWaalsContact CG1-CG2 3.44Å; V40-T50 HydrophobicContact CG2-CG2 4.31Å; V40-T50 WeakPolarHBondContact CG2-OG1 3.36Å; G46-T50 PolarHBondContact O-N 2.85Å; G46-T50 PolarHBondContact O-OG1 3.34Å; R47-T50 PolarHBondContact O-N 3.43Å; I48-T50 PolarHBondContact O-N 2.95Å; T50-V52 VanDerWaalsContact C-N 3.25Å; T50-V52 PolarHBondContact O-N 3.45Å; T50-E53 PolarHBondContact O-N 3.27Å; T50-D54 VanDerWaalsContact O-CB 3.31Å; T50-D54 WeakPolarHBondContact O-CB 3.49Å; T50-D54 PolarHBondContact O-N 2.98Å
51I65.3Low63.1Low0 Ų054.7 Ų54.70%030%0.304CS..Hα-helixtrans-63.2-35177.3-66.3167.8000111.5F32 V36 R47 I48 Q49 G55 F56 L57 L85 L97F32-I51 HydrophobicContact CD2-CG1 4.49Å; F32-I51 HydrophobicContact CE2-CD1 3.48Å; F32-I51 VanDerWaalsContact CE2-CD1 3.48Å; F32-I51 HydrophobicContact CE2-CG1 3.64Å; F32-I51 HydrophobicContact CE2-CG2 4.22Å; F32-I51 HydrophobicContact CZ-CD1 3.42Å; F32-I51 VanDerWaalsContact CZ-CD1 3.42Å; F32-I51 HydrophobicContact CZ-CG1 4.04Å; V36-I51 HydrophobicContact CG1-CD1 4.09Å; V36-I51 HydrophobicContact CG1-CG1 4.47Å; V36-I51 HydrophobicContact CG2-CD1 3.68Å; V36-I51 HydrophobicContact CG2-CG1 3.3Å; R47-I51 WeakPolarHBondContact O-CG1 3.46Å; R47-I51 PolarHBondContact O-N 3.48Å; I48-I51 PolarHBondContact O-N 3.05Å; I48-I51 VanDerWaalsContact O-N 3.16Å; Q49-I51 PolarHBondContact O-N 2.87Å; I51-G55 PolarHBondContact O-N 3.38Å; I51-F56 HydrophobicContact CB-CB 4.45Å; I51-F56 HydrophobicContact CG2-CB 3.55Å; I51-F56 WeakPolarHBondContact O-CB 3.47Å; I51-F56 PolarHBondContact O-N 2.95Å; I51-L57 HydrophobicContact CG2-CB 3.68Å; I51-L57 PolarHBondContact O-N 3.43Å; I51-L85 HydrophobicContact CD1-CD1 3.4Å; I51-L97 HydrophobicContact CG2-CD2 4.41Å
52V67.2Low63.5Low42 Ų4250.3 Ų50.326%0.25528%0.276SS..Hα-helixtrans-74.4-46.3178.8175.90000110.8I48 Q49 T50 D54 G55 L57 W59I48-V52 HydrophobicContact CG2-CG2 4.18Å; I48-V52 VanDerWaalsContact O-CG2 3.25Å; I48-V52 WeakPolarHBondContact O-CG2 3.25Å; I48-V52 PolarHBondContact O-N 2.99Å; Q49-V52 PolarHBondContact O-N 3.12Å; T50-V52 VanDerWaalsContact C-N 3.25Å; T50-V52 PolarHBondContact O-N 3.45Å; V52-D54 VanDerWaalsContact C-N 3.34Å; V52-D54 PolarHBondContact O-N 3.41Å; V52-G55 PolarHBondContact O-N 3.32Å; V52-G55 VanDerWaalsContact O-N 3.13Å; V52-L57 WeakPolarHBondContact CA-O 3.04Å; V52-L57 HydrophobicContact CG2-CB 4.47Å; V52-W59 HydrophobicContact CB-CB 4.36Å; V52-W59 HydrophobicContact CG1-CB 3.72Å; V52-W59 HydrophobicContact CG2-CB 3.62Å; V52-W59 HydrophobicContact CG2-CG 4.16Å
53E70.1Confident63.8Low134 Ų13447.6 Ų47.663%0.62625%0.247SC*.Hα-helixtrans-62.3-40177.2-74.8177-179.200112.1Q49 T50 G55Q49-E53 HydrophobicContact CG-CG 4.25Å; Q49-E53 VanDerWaalsContact CG-OE1 3.3Å; Q49-E53 WeakPolarHBondContact CG-OE1 3.25Å; Q49-E53 PolarHBondContact NE2-OE1 2.91Å; Q49-E53 WeakPolarHBondContact O-CB 3.47Å; Q49-E53 WeakPolarHBondContact O-CG 2.97Å; Q49-E53 PolarHBondContact O-N 2.86Å; T50-E53 PolarHBondContact O-N 3.27Å; E53-G55 PolarHBondContact O-N 2.97Å
54D65.3Low63.6Low83 Ų8345.6 Ų45.644%0.44424%0.243SC..THydrogen-bonded Turntrans-81.13.4178.1-70.6-16.4000113.1V35 T50 V52 F56V35-D54 WeakPolarHBondContact CG1-OD2 3.5Å; T50-D54 VanDerWaalsContact O-CB 3.31Å; T50-D54 WeakPolarHBondContact O-CB 3.49Å; T50-D54 PolarHBondContact O-N 2.98Å; V52-D54 VanDerWaalsContact C-N 3.34Å; V52-D54 PolarHBondContact O-N 3.41Å; D54-F56 VanDerWaalsContact C-N 3.27Å; D54-F56 HydrophobicContact CB-CD2 3.65Å; D54-F56 HydrophobicContact CB-CE2 3.68Å; D54-F56 PolarHBondContact O-N 3.02Å
55G62.9Low63.3Low26 Ų2652.5 Ų52.527%0.26827%0.266SS..THydrogen-bonded Turntrans73.514.7171.600000114.7I51 V52 E53 L57I51-G55 PolarHBondContact O-N 3.38Å; V52-G55 PolarHBondContact O-N 3.32Å; V52-G55 VanDerWaalsContact O-N 3.13Å; E53-G55 PolarHBondContact O-N 2.97Å; G55-L57 VanDerWaalsContact C-N 3.28Å
56F57.8Low63Low27 Ų2752 Ų5212%0.11826%0.257CS..SBendtrans-71-27.3172-69.7-76.5000111.8E31 F32 V35 I51 D54 L95 L156E31-F56 HydrophobicContact CG-CZ 4.27Å; F32-F56 HydrophobicContact CD2-CD1 4.41Å; F32-F56 HydrophobicContact CD2-CG 4.37Å; V35-F56 HydrophobicContact CG1-CE2 4.32Å; I51-F56 HydrophobicContact CB-CB 4.45Å; I51-F56 HydrophobicContact CG2-CB 3.55Å; I51-F56 WeakPolarHBondContact O-CB 3.47Å; I51-F56 PolarHBondContact O-N 2.95Å; D54-F56 VanDerWaalsContact C-N 3.27Å; D54-F56 HydrophobicContact CB-CD2 3.65Å; D54-F56 HydrophobicContact CB-CE2 3.68Å; D54-F56 PolarHBondContact O-N 3.02Å; F56-L95 HydrophobicContact CD1-CD2 4.3Å; F56-L156 WeakPolarHBondContact O-CD1 3.48Å; F56-L156 WeakPolarHBondContact O-CD2 3.3Å
57L64.5Low62.4Low7 Ų752.9 Ų52.94%0.03726%0.258CS..  trans-139116.3178-177.263.5000110.7I51 V52 G55 W59 F62 L97 I99 I154 L156I51-L57 HydrophobicContact CG2-CB 3.68Å; I51-L57 PolarHBondContact O-N 3.43Å; V52-L57 WeakPolarHBondContact CA-O 3.04Å; V52-L57 HydrophobicContact CG2-CB 4.47Å; G55-L57 VanDerWaalsContact C-N 3.28Å; L57-W59 HydrophobicContact CD2-CE3 3.57Å; L57-W59 HydrophobicContact CD2-CZ3 3.85Å; L57-W59 HydrophobicContact CG-CE3 4.29Å; L57-W59 PolarHBondContact O-N 3.49Å; L57-F62 HydrophobicContact CD1-CB 4.08Å; L57-F62 HydrophobicContact CD1-CD2 4.33Å; L57-F62 HydrophobicContact CD1-CG 4.14Å; L57-L97 HydrophobicContact CD2-CD2 4.33Å; L57-I99 HydrophobicContact CD2-CD1 4.08Å; L57-I154 HydrophobicContact CD1-CD1 4.28Å; L57-L156 HydrophobicContact CD1-CD2 4.47Å
58D67.8Low61.7Low65 Ų6556.7 Ų56.735%0.34828%0.278SS..  trans-72.993.1167.9-179.5-9.7000109N61 F62D58-N61 HydrophobicContact CB-CB 4Å; D58-N61 WeakPolarHBondContact OD1-CB 3.3Å; D58-N61 PolarHBondContact OD1-N 2.99Å; D58-N61 WeakPolarHBondContact OD2-CB 3.4Å; D58-N61 PolarHBondContact OD2-ND2 2.83Å; D58-N61 VanDerWaalsContact OD2-ND2 3.09Å; D58-F62 WeakPolarHBondContact O-CB 3.32Å; D58-F62 PolarHBondContact O-N 2.87Å
59W68.4Low61.2Low7 Ų758.7 Ų58.73%0.02729%0.288CS..Hα-helixtrans-66.7-39.2-170.4-172.2-120.8000113.7I48 V52 L57 F62 K63 L67 Y79 V82 I99I48-W59 HydrophobicContact CG2-CE3 4.39Å; I48-W59 HydrophobicContact CG2-CZ3 4.27Å; V52-W59 HydrophobicContact CB-CB 4.36Å; V52-W59 HydrophobicContact CG1-CB 3.72Å; V52-W59 HydrophobicContact CG2-CB 3.62Å; V52-W59 HydrophobicContact CG2-CG 4.16Å; L57-W59 HydrophobicContact CD2-CE3 3.57Å; L57-W59 HydrophobicContact CD2-CZ3 3.85Å; L57-W59 HydrophobicContact CG-CE3 4.29Å; L57-W59 PolarHBondContact O-N 3.49Å; W59-F62 AromaticContact CE3-CD1 3.7Å; W59-F62 HydrophobicContact CE3-CD1 3.7Å; W59-F62 HydrophobicContact CE3-CE1 4.4Å; W59-F62 HydrophobicContact CH2-CD1 4.19Å; W59-F62 HydrophobicContact CH2-CE1 4.2Å; W59-F62 AromaticContact CZ3-CD1 3.49Å; W59-F62 HydrophobicContact CZ3-CD1 3.49Å; W59-F62 VanDerWaalsContact CZ3-CD1 3.49Å; W59-F62 AromaticContact CZ3-CE1 3.73Å; W59-F62 HydrophobicContact CZ3-CE1 3.73Å; W59-F62 PolarHBondContact O-N 2.91Å; W59-K63 VanDerWaalsContact CD1-CE 3.47Å; W59-K63 HydrophobicContact CD2-CG 4.33Å; W59-K63 HydrophobicContact CG-CG 4.48Å; W59-K63 HydrophobicContact CZ2-CG 4.29Å; W59-K63 VanDerWaalsContact O-CB 3.32Å; W59-K63 WeakPolarHBondContact O-CB 3.29Å; W59-K63 WeakPolarHBondContact O-CG 3.16Å; W59-K63 PolarHBondContact O-N 3.27Å; W59-L67 HydrophobicContact CH2-CD1 4.49Å; W59-Y79 AromaticContact CD1-CZ 3.93Å; W59-Y79 AromaticContact CD2-CE1 3.7Å; W59-Y79 HydrophobicContact CD2-CE1 3.7Å; W59-Y79 AromaticContact CE2-CD1 3.91Å; W59-Y79 AromaticContact CE2-CE1 3.22Å; W59-Y79 AromaticContact CE2-CZ 3.87Å; W59-Y79 HydrophobicContact CE3-CE1 4.17Å; W59-Y79 HydrophobicContact CG-CE1 4.25Å; W59-Y79 AromaticContact CH2-CD1 3.98Å; W59-Y79 HydrophobicContact CH2-CD1 3.98Å; W59-Y79 AromaticContact CH2-CE1 3.87Å; W59-Y79 HydrophobicContact CH2-CE1 3.87Å; W59-Y79 AromaticContact CZ2-CD1 3.53Å; W59-Y79 HydrophobicContact CZ2-CD1 3.53Å; W59-Y79 AromaticContact CZ2-CE1 3.34Å; W59-Y79 HydrophobicContact CZ2-CE1 3.34Å; W59-Y79 HydrophobicContact CZ3-CE1 4.24Å; W59-Y79 AromaticContact NE1-CE1 3.46Å; W59-Y79 AromaticContact NE1-CZ 3.62Å; W59-V82 HydrophobicContact CH2-CG2 4.28Å; W59-I99 HydrophobicContact CZ3-CD1 4.47Å
60D65.8Low60.1Low99 Ų9957 Ų5753%0.52929%0.286SS..Hα-helixtrans-69-42.2-178.9-74.6-33.1000110.9K63 Q64D60-K63 PolarHBondContact O-N 2.8Å; D60-K63 WeakPolarHBondContact OD1-CE 3.44Å; D60-K63 IonicContact OD1-NZ 2.71Å; D60-K63 PolarHBondContact OD1-NZ 2.91Å; D60-Q64 VanDerWaalsContact O-CB 3.3Å; D60-Q64 WeakPolarHBondContact O-CB 3.46Å; D60-Q64 PolarHBondContact O-N 3.21Å
61N61.5Low59.4Low42 Ų4264.7 Ų64.723%0.22531%0.313CS..Hα-helixtrans-66.1-39.6173.9-168.18.2000111.6D58 Q64 R65D58-N61 HydrophobicContact CB-CB 4Å; D58-N61 WeakPolarHBondContact OD1-CB 3.3Å; D58-N61 PolarHBondContact OD1-N 2.99Å; D58-N61 WeakPolarHBondContact OD2-CB 3.4Å; D58-N61 PolarHBondContact OD2-ND2 2.83Å; D58-N61 VanDerWaalsContact OD2-ND2 3.09Å; N61-Q64 PolarHBondContact O-N 3.5Å; N61-R65 VanDerWaalsContact O-CB 3.3Å; N61-R65 WeakPolarHBondContact O-CB 3.41Å; N61-R65 WeakPolarHBondContact O-CG 3.27Å; N61-R65 PolarHBondContact O-N 2.64Å; N61-R65 WeakPolarHBondContact OD1-CD 3.39Å; N61-R65 VanDerWaalsContact OD1-CG 3.32Å; N61-R65 WeakPolarHBondContact OD1-CG 3.48Å; N61-R65 VanDerWaalsContact OD1-CZ 3.31Å; N61-R65 PolarHBondContact OD1-NE 2.82Å
62F61.4Low58.4Low12 Ų1271.6 Ų71.65%0.05335%0.346CS..Hα-helixtrans-62.6-47.1174.3177.5-105.5000111.9L57 D58 W59 Q64 H66 L67 I99 I154L57-F62 HydrophobicContact CD1-CB 4.08Å; L57-F62 HydrophobicContact CD1-CD2 4.33Å; L57-F62 HydrophobicContact CD1-CG 4.14Å; D58-F62 WeakPolarHBondContact O-CB 3.32Å; D58-F62 PolarHBondContact O-N 2.87Å; W59-F62 AromaticContact CE3-CD1 3.7Å; W59-F62 HydrophobicContact CE3-CD1 3.7Å; W59-F62 HydrophobicContact CE3-CE1 4.4Å; W59-F62 HydrophobicContact CH2-CD1 4.19Å; W59-F62 HydrophobicContact CH2-CE1 4.2Å; W59-F62 AromaticContact CZ3-CD1 3.49Å; W59-F62 HydrophobicContact CZ3-CD1 3.49Å; W59-F62 VanDerWaalsContact CZ3-CD1 3.49Å; W59-F62 AromaticContact CZ3-CE1 3.73Å; W59-F62 HydrophobicContact CZ3-CE1 3.73Å; W59-F62 PolarHBondContact O-N 2.91Å; F62-Q64 VanDerWaalsContact C-N 3.31Å; F62-Q64 PolarHBondContact O-N 2.66Å; F62-H66 HydrophobicContact CD2-CB 3.87Å; F62-H66 AromaticContact CD2-CD2 3.56Å; F62-H66 HydrophobicContact CE2-CB 3.67Å; F62-H66 HydrophobicContact CZ-CB 4.39Å; F62-H66 WeakPolarHBondContact O-CA 3.48Å; F62-H66 WeakPolarHBondContact O-CB 3.38Å; F62-H66 PolarHBondContact O-N 2.74Å; F62-L67 HydrophobicContact CD1-CD1 3.94Å; F62-L67 HydrophobicContact CD1-CG 4.23Å; F62-L67 HydrophobicContact CE1-CD1 3.52Å; F62-L67 HydrophobicContact CE1-CD2 4.08Å; F62-L67 HydrophobicContact CE1-CG 3.77Å; F62-L67 HydrophobicContact CZ-CD1 4.29Å; F62-L67 HydrophobicContact CZ-CD2 4.02Å; F62-L67 HydrophobicContact CZ-CG 4.1Å; F62-L67 PolarHBondContact O-N 3.2Å; F62-I99 HydrophobicContact CE1-CD1 4.23Å; F62-I99 HydrophobicContact CZ-CD1 4.34Å; F62-I154 HydrophobicContact CD2-CD1 3.64Å; F62-I154 HydrophobicContact CD2-CG1 4.34Å; F62-I154 HydrophobicContact CE1-CD1 4.08Å; F62-I154 HydrophobicContact CE2-CD1 3.08Å; F62-I154 HydrophobicContact CE2-CG1 3.59Å; F62-I154 HydrophobicContact CG-CD1 4.4Å; F62-I154 HydrophobicContact CZ-CD1 3.34Å; F62-I154 HydrophobicContact CZ-CG1 4.08Å
63K59.6Low57.4Low7 Ų774 Ų743%0.0335%0.353CS..Hα-helixtrans-56.6-46.3173.8-82.7-173.4-61179.90111.4W59 D60 L67 E68 I69W59-K63 VanDerWaalsContact CD1-CE 3.47Å; W59-K63 HydrophobicContact CD2-CG 4.33Å; W59-K63 HydrophobicContact CG-CG 4.48Å; W59-K63 HydrophobicContact CZ2-CG 4.29Å; W59-K63 VanDerWaalsContact O-CB 3.32Å; W59-K63 WeakPolarHBondContact O-CB 3.29Å; W59-K63 WeakPolarHBondContact O-CG 3.16Å; W59-K63 PolarHBondContact O-N 3.27Å; D60-K63 PolarHBondContact O-N 2.8Å; D60-K63 WeakPolarHBondContact OD1-CE 3.44Å; D60-K63 IonicContact OD1-NZ 2.71Å; D60-K63 PolarHBondContact OD1-NZ 2.91Å; K63-L67 HydrophobicContact CG-CD1 4.4Å; K63-L67 CarbonylContact O-C 3.59Å; K63-L67 VanDerWaalsContact O-C 3.27Å; K63-L67 WeakPolarHBondContact O-CA 3.42Å; K63-L67 WeakPolarHBondContact O-CB 2.89Å; K63-L67 PolarHBondContact O-N 2.86Å; K63-L67 VanDerWaalsContact O-N 3.16Å; K63-E68 PolarHBondContact O-N 2.75Å; K63-I69 HydrophobicContact CB-CB 4.12Å; K63-I69 HydrophobicContact CD-CB 4.4Å; K63-I69 HydrophobicContact CD-CG2 4.15Å; K63-I69 HydrophobicContact CG-CB 4.26Å; K63-I69 HydrophobicContact CG-CD1 4.41Å; K63-I69 PolarHBondContact O-N 2.83Å
64Q56.2Low56.2Low128 Ų12871.6 Ų71.660%0.59835%0.348SS*.Hα-helixtrans-72.6-47.9-174.7-172.3178.316.700112.3D60 N61 F62D60-Q64 VanDerWaalsContact O-CB 3.3Å; D60-Q64 WeakPolarHBondContact O-CB 3.46Å; D60-Q64 PolarHBondContact O-N 3.21Å; N61-Q64 PolarHBondContact O-N 3.5Å; F62-Q64 VanDerWaalsContact C-N 3.31Å; F62-Q64 PolarHBondContact O-N 2.66Å
65R52.4Low55.4Low178 Ų17873.9 Ų73.967%0.67236%0.356SS*.Hα-helixtrans-82.6-33.1-173.8-67.4-168.9-175.2179.77.5113.7N61N61-R65 VanDerWaalsContact O-CB 3.3Å; N61-R65 WeakPolarHBondContact O-CB 3.41Å; N61-R65 WeakPolarHBondContact O-CG 3.27Å; N61-R65 PolarHBondContact O-N 2.64Å; N61-R65 WeakPolarHBondContact OD1-CD 3.39Å; N61-R65 VanDerWaalsContact OD1-CG 3.32Å; N61-R65 WeakPolarHBondContact OD1-CG 3.48Å; N61-R65 VanDerWaalsContact OD1-CZ 3.31Å; N61-R65 PolarHBondContact OD1-NE 2.82Å
66H53.7Low54.4Low55 Ų5578.1 Ų78.126%0.25538%0.377SS..Hα-helixtrans-117.2-19-169.5-56.8-61000113.4F62 F109 I132F62-H66 HydrophobicContact CD2-CB 3.87Å; F62-H66 AromaticContact CD2-CD2 3.56Å; F62-H66 HydrophobicContact CE2-CB 3.67Å; F62-H66 HydrophobicContact CZ-CB 4.39Å; F62-H66 WeakPolarHBondContact O-CA 3.48Å; F62-H66 WeakPolarHBondContact O-CB 3.38Å; F62-H66 PolarHBondContact O-N 2.74Å; H66-F109 WeakPolarHBondContact O-CE1 3.14Å; H66-F109 WeakPolarHBondContact O-CZ 3.48Å; H66-I132 WeakPolarHBondContact ND1-CD1 3.14Å
67L51Low53.7Low30 Ų3080.1 Ų80.116%0.15739%0.389CS..SBendtrans-115-7.8177.1-52.7-179.8000113.6W59 F62 K63 I69 F101W59-L67 HydrophobicContact CH2-CD1 4.49Å; F62-L67 HydrophobicContact CD1-CD1 3.94Å; F62-L67 HydrophobicContact CD1-CG 4.23Å; F62-L67 HydrophobicContact CE1-CD1 3.52Å; F62-L67 HydrophobicContact CE1-CD2 4.08Å; F62-L67 HydrophobicContact CE1-CG 3.77Å; F62-L67 HydrophobicContact CZ-CD1 4.29Å; F62-L67 HydrophobicContact CZ-CD2 4.02Å; F62-L67 HydrophobicContact CZ-CG 4.1Å; F62-L67 PolarHBondContact O-N 3.2Å; K63-L67 HydrophobicContact CG-CD1 4.4Å; K63-L67 CarbonylContact O-C 3.59Å; K63-L67 VanDerWaalsContact O-C 3.27Å; K63-L67 WeakPolarHBondContact O-CA 3.42Å; K63-L67 WeakPolarHBondContact O-CB 2.89Å; K63-L67 PolarHBondContact O-N 2.86Å; K63-L67 VanDerWaalsContact O-N 3.16Å; L67-I69 HydrophobicContact CB-CB 4.42Å; L67-I69 HydrophobicContact CB-CD1 3.67Å; L67-I69 HydrophobicContact CB-CG1 3.68Å; L67-I69 HydrophobicContact CD1-CD1 3.69Å; L67-I69 HydrophobicContact CG-CD1 4.35Å; L67-I69 PolarHBondContact O-N 2.83Å; L67-F101 HydrophobicContact CD1-CE1 4.47Å; L67-F101 HydrophobicContact CD2-CE1 4.38Å; L67-F101 HydrophobicContact CD2-CZ 4.06Å
68E49.2Very low52.8Low129 Ų12980 Ų8060%0.60339%0.389SS*.  trans46.329.3-169.7-60.8-177.2174.200113.4K63 P70K63-E68 PolarHBondContact O-N 2.75Å; E68-P70 WeakPolarHBondContact O-CD 3.3Å
69I50.3Low52Low43 Ų4378 Ų7822%0.22138%0.377CS..  trans-80.8123179.5-65.3172.9000107.7K63 L67 F73K63-I69 HydrophobicContact CB-CB 4.12Å; K63-I69 HydrophobicContact CD-CB 4.4Å; K63-I69 HydrophobicContact CD-CG2 4.15Å; K63-I69 HydrophobicContact CG-CB 4.26Å; K63-I69 HydrophobicContact CG-CD1 4.41Å; K63-I69 PolarHBondContact O-N 2.83Å; L67-I69 HydrophobicContact CB-CB 4.42Å; L67-I69 HydrophobicContact CB-CD1 3.67Å; L67-I69 HydrophobicContact CB-CG1 3.68Å; L67-I69 HydrophobicContact CD1-CD1 3.69Å; L67-I69 HydrophobicContact CG-CD1 4.35Å; L67-I69 PolarHBondContact O-N 2.83Å; I69-F73 HydrophobicContact CG2-CB 3.67Å; I69-F73 HydrophobicContact CG2-CD2 3.87Å; I69-F73 HydrophobicContact CG2-CG 3.86Å
70P45.5Very low51.1Low60 Ų6082.6 Ų82.639%0.3940%0.401SS..  trans-56.3143.8175.4-23.733000111.5E68 E72 F73E68-P70 WeakPolarHBondContact O-CD 3.3Å; P70-E72 PolarHBondContact O-N 2.77Å; P70-F73 HydrophobicContact CB-CD2 4.09Å; P70-F73 HydrophobicContact CB-CE2 4.28Å; P70-F73 HydrophobicContact CG-CD2 4.17Å; P70-F73 HydrophobicContact CG-CE2 3.97Å; P70-F73 PolarHBondContact O-N 2.7Å; P70-F73 VanDerWaalsContact O-N 3.07Å
71Y52.3Low50.4Low184 Ų18481.8 Ų81.872%0.72239%0.393SS*.THydrogen-bonded Turntrans-53.9-22.4176.332.8-95.7000113.2F73Y71-F73 PolarHBondContact O-N 2.77Å
72E44.3Very low50.1Low146 Ų14680.1 Ų80.168%0.68238%0.384SS*.THydrogen-bonded Turntrans-69.6-11.7179.3-57.9176.5-17700114.4P70 P74P70-E72 PolarHBondContact O-N 2.77Å; E72-P74 WeakPolarHBondContact O-CD 3.42Å
73F44.8Very low49.8Very low93 Ų9383.5 Ų83.541%0.40840%0.4SS..SBendtrans-81.799.4174.8-76.9-95.6000109.4I69 P70 Y71 N77I69-F73 HydrophobicContact CG2-CB 3.67Å; I69-F73 HydrophobicContact CG2-CD2 3.87Å; I69-F73 HydrophobicContact CG2-CG 3.86Å; P70-F73 HydrophobicContact CB-CD2 4.09Å; P70-F73 HydrophobicContact CB-CE2 4.28Å; P70-F73 HydrophobicContact CG-CD2 4.17Å; P70-F73 HydrophobicContact CG-CE2 3.97Å; P70-F73 PolarHBondContact O-N 2.7Å; P70-F73 VanDerWaalsContact O-N 3.07Å; Y71-F73 PolarHBondContact O-N 2.77Å; F73-N77 HydrophobicContact CD1-CB 3.94Å
74P45.4Very low49.7Very low82 Ų8285.9 Ų85.953%0.53241%0.413SS..  trans-71149-177.917.9-2.9000108.1E72 V76 N77E72-P74 WeakPolarHBondContact O-CD 3.42Å; P74-V76 PolarHBondContact O-N 2.8Å; P74-N77 PolarHBondContact O-N 3.49Å
75E48.5Very low49.7Very low131 Ų13179.9 Ų79.961%0.61239%0.385SS*.Hα-helixtrans-29.7-36.6-174.5-69.4152.5168.700116N77 G78 Y79E75-N77 PolarHBondContact O-N 2.78Å; E75-G78 PolarHBondContact O-N 2.84Å; E75-Y79 HydrophobicContact CB-CD2 4.43Å; E75-Y79 HydrophobicContact CB-CE2 3.93Å; E75-Y79 HydrophobicContact CG-CE2 4.27Å; E75-Y79 WeakPolarHBondContact O-CD2 3.38Å
76V41.7Very low49.9Very low115 Ų11572.9 Ų72.970%0.69736%0.363SS*.Hα-helixtrans-57.6-29.6176.6-172.70000113.6P74 I80P74-V76 PolarHBondContact O-N 2.8Å; V76-I80 WeakPolarHBondContact O-CD1 3.07Å; V76-I80 WeakPolarHBondContact O-CG1 3.21Å
77N42.9Very low49.7Very low70 Ų7071.6 Ų71.637%0.37436%0.36SS..Hα-helixtrans-97.7-29-178.1-74.2-29.4000114.4F73 P74 E75 F81F73-N77 HydrophobicContact CD1-CB 3.94Å; P74-N77 PolarHBondContact O-N 3.49Å; E75-N77 PolarHBondContact O-N 2.78Å; N77-F81 WeakPolarHBondContact O-CD2 3.05Å; N77-F81 VanDerWaalsContact O-CE2 3.32Å; N77-F81 WeakPolarHBondContact O-CE2 3.04Å
78G46.3Very low49.6Very low4 Ų472 Ų724%0.04136%0.362CS..Hα-helixtrans-70.2-35.4-176.100000113E75E75-G78 PolarHBondContact O-N 2.84Å
79Y50.8Low49.4Very low24 Ų2468 Ų689%0.09435%0.348CS..SBendtrans-87.7-16.6-176-56.3-50.2000114.4I48 W59 E75 F81 V82I48-Y79 HydrophobicContact CB-CD1 3.8Å; I48-Y79 HydrophobicContact CB-CE1 3.71Å; I48-Y79 HydrophobicContact CB-CG 4.5Å; I48-Y79 HydrophobicContact CD1-CD1 3.41Å; I48-Y79 VanDerWaalsContact CD1-CD1 3.41Å; I48-Y79 HydrophobicContact CD1-CE1 4.19Å; I48-Y79 HydrophobicContact CD1-CG 3.94Å; I48-Y79 HydrophobicContact CG1-CD1 4.17Å; I48-Y79 HydrophobicContact CG2-CD1 3.55Å; I48-Y79 HydrophobicContact CG2-CE1 3.08Å; W59-Y79 AromaticContact CD1-CZ 3.93Å; W59-Y79 AromaticContact CD2-CE1 3.7Å; W59-Y79 HydrophobicContact CD2-CE1 3.7Å; W59-Y79 AromaticContact CE2-CD1 3.91Å; W59-Y79 AromaticContact CE2-CE1 3.22Å; W59-Y79 AromaticContact CE2-CZ 3.87Å; W59-Y79 HydrophobicContact CE3-CE1 4.17Å; W59-Y79 HydrophobicContact CG-CE1 4.25Å; W59-Y79 AromaticContact CH2-CD1 3.98Å; W59-Y79 HydrophobicContact CH2-CD1 3.98Å; W59-Y79 AromaticContact CH2-CE1 3.87Å; W59-Y79 HydrophobicContact CH2-CE1 3.87Å; W59-Y79 AromaticContact CZ2-CD1 3.53Å; W59-Y79 HydrophobicContact CZ2-CD1 3.53Å; W59-Y79 AromaticContact CZ2-CE1 3.34Å; W59-Y79 HydrophobicContact CZ2-CE1 3.34Å; W59-Y79 HydrophobicContact CZ3-CE1 4.24Å; W59-Y79 AromaticContact NE1-CE1 3.46Å; W59-Y79 AromaticContact NE1-CZ 3.62Å; E75-Y79 HydrophobicContact CB-CD2 4.43Å; E75-Y79 HydrophobicContact CB-CE2 3.93Å; E75-Y79 HydrophobicContact CG-CE2 4.27Å; E75-Y79 WeakPolarHBondContact O-CD2 3.38Å; Y79-F81 PolarHBondContact O-N 2.86Å; Y79-F81 VanDerWaalsContact O-N 3.11Å; Y79-V82 PolarHBondContact O-N 3.04Å
80I49.2Very low49Very low103 Ų10366.3 Ų66.353%0.52834%0.34SS..THydrogen-bonded Turntrans-59.2-27.4176.9-66.8170.4000111V76 S102V76-I80 WeakPolarHBondContact O-CD1 3.07Å; V76-I80 WeakPolarHBondContact O-CG1 3.21Å; I80-S102 PolarHBondContact O-OG 2.96Å
81F51.1Low48.7Very low81 Ų8172.6 Ų72.636%0.35536%0.361SS..THydrogen-bonded Turntrans-87.8-3.1178.3-53.8-66.6000113.4N77 Y79 F101 S102 K103N77-F81 WeakPolarHBondContact O-CD2 3.05Å; N77-F81 VanDerWaalsContact O-CE2 3.32Å; N77-F81 WeakPolarHBondContact O-CE2 3.04Å; Y79-F81 PolarHBondContact O-N 2.86Å; Y79-F81 VanDerWaalsContact O-N 3.11Å; F81-F101 HydrophobicContact CB-CD1 4.32Å; F81-F101 CarbonylContact O-C 3.56Å; F81-F101 VanDerWaalsContact O-C 3.29Å; F81-F101 WeakPolarHBondContact O-CA 3.34Å; F81-F101 WeakPolarHBondContact O-CB 3.24Å; F81-F101 WeakPolarHBondContact O-CD1 3.43Å; F81-S102 WeakPolarHBondContact CA-OG 3.33Å; F81-S102 PolarHBondContact O-N 2.72Å; F81-K103 HydrophobicContact CD1-CD 4.24Å; F81-K103 HydrophobicContact CD1-CG 4.49Å; F81-K103 HydrophobicContact CE1-CD 4.11Å
82V55.6Low48.2Very low8 Ų870 Ų705%0.04836%0.359CS..EExtended strand (participates in β ladder)trans-101.8115.1176.6-179.20000108.7V44 I48 W59 Y79 D84 L85 I99 C100 F101V44-V82 HydrophobicContact CG1-CG1 4.07Å; V44-V82 WeakPolarHBondContact CG1-O 3.13Å; I48-V82 HydrophobicContact CD1-CB 3.56Å; I48-V82 HydrophobicContact CD1-CG1 3.53Å; I48-V82 HydrophobicContact CD1-CG2 4.04Å; I48-V82 HydrophobicContact CG1-CG1 4.31Å; W59-V82 HydrophobicContact CH2-CG2 4.28Å; Y79-V82 PolarHBondContact O-N 3.04Å; V82-D84 WeakPolarHBondContact CG1-O 3.27Å; V82-L85 HydrophobicContact CG1-CD2 4.33Å; V82-L85 HydrophobicContact CG1-CG 4.39Å; V82-I99 HydrophobicContact CB-CG2 4.32Å; V82-I99 HydrophobicContact CG1-CG2 3.55Å; V82-I99 HydrophobicContact CG2-CG2 3.82Å; V82-C100 CarbonylContact C-O 3.54Å; V82-C100 WeakPolarHBondContact CA-O 2.76Å; V82-F101 HydrophobicContact CG2-CD1 4.03Å; V82-F101 HydrophobicContact CG2-CE1 3.76Å
83E56.2Low48.1Very low82 Ų8264.4 Ų64.438%0.38334%0.342SS..EExtended strand (participates in β ladder)trans-89.1-26.9179.1-66.5-171.2164.200112.5V44 C100 S102 K149V44-E83 VanDerWaalsContact CG2-O 3.29Å; V44-E83 WeakPolarHBondContact CG2-O 3.42Å; E83-C100 PolarHBondContact N-O 2.91Å; E83-S102 VanDerWaalsContact CD-CA 3.4Å; E83-S102 WeakPolarHBondContact OE1-CA 3.36Å; E83-S102 WeakPolarHBondContact OE1-CB 3.24Å; E83-K149 IonicContact OE1-NZ 3.01Å; E83-K149 PolarHBondContact OE1-NZ 2.79Å
84D57.4Low48.1Very low58 Ų5862.2 Ų62.231%0.3133%0.334SS..EExtended strand (participates in β ladder)trans-159.4157.9179.7-156.78.9000112.1V82 C100V82-D84 WeakPolarHBondContact CG1-O 3.27Å; D84-C100 HydrophobicContact CB-CB 3.85Å; D84-C100 PolarHBondContact N-O 2.98Å; D84-C100 PolarHBondContact O-N 2.83Å
85L56Low48.3Very low2 Ų258.6 Ų58.61%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-127.2137.3168.2-69.6171.7000107.8Y37 R47 I48 I51 V82 L97 R98 I99Y37-L85 PolarHBondContact OH-O 3.41Å; R47-L85 HydrophobicContact CB-CD1 4.37Å; I48-L85 HydrophobicContact CB-CD1 3.97Å; I48-L85 HydrophobicContact CD1-CD1 4.46Å; I48-L85 HydrophobicContact CG1-CD1 3.22Å; I48-L85 HydrophobicContact CG1-CD2 4.32Å; I48-L85 HydrophobicContact CG1-CG 3.84Å; I48-L85 HydrophobicContact CG2-CD1 4.47Å; I51-L85 HydrophobicContact CD1-CD1 3.4Å; V82-L85 HydrophobicContact CG1-CD2 4.33Å; V82-L85 HydrophobicContact CG1-CG 4.39Å; L85-L97 HydrophobicContact CD2-CD1 4.38Å; L85-L97 HydrophobicContact CD2-CD2 4.43Å; L85-L97 HydrophobicContact CD2-CG 4.48Å; L85-R98 CarbonylContact C-O 3.51Å; L85-R98 VanDerWaalsContact CA-O 3.3Å; L85-R98 WeakPolarHBondContact CA-O 3.4Å; L85-I99 HydrophobicContact CD2-CB 4.06Å; L85-I99 HydrophobicContact CD2-CD1 3.83Å; L85-I99 HydrophobicContact CD2-CG1 3.55Å; L85-I99 HydrophobicContact CD2-CG2 3.96Å
86S55.3Low48.3Very low30 Ų3054 Ų5421%0.2129%0.288CS..EExtended strand (participates in β ladder)trans-144.5133.6174.9-48.80000111.2R98S86-R98 PolarHBondContact N-O 3.28Å; S86-R98 VanDerWaalsContact O-CB 3.3Å; S86-R98 WeakPolarHBondContact O-CB 3.07Å; S86-R98 PolarHBondContact O-N 2.84Å
87P49.2Very low48.8Very low28 Ų2848.6 Ų48.618%0.18226%0.255CS..EExtended strand (participates in β ladder)trans-69.9142.816830.5-30.2000109.1F32 I33 L95 F96F32-P87 HydrophobicContact CD1-CB 3.91Å; F32-P87 HydrophobicContact CD1-CG 4.01Å; F32-P87 HydrophobicContact CE1-CB 3.94Å; F32-P87 HydrophobicContact CE1-CG 3.98Å; I33-P87 HydrophobicContact CG1-CG 4.11Å; P87-L95 HydrophobicContact CB-CD1 4.22Å; P87-F96 CarbonylContact C-O 3.27Å; P87-F96 WeakPolarHBondContact CA-O 2.83Å
88I49.9Very low49.4Very low38 Ų3848.8 Ų48.820%0.19525%0.251CS..EExtended strand (participates in β ladder)trans-108.4127.8169.1-60.3163000107.3S90 F96 R98 M153I88-S90 PolarHBondContact O-N 3.16Å; I88-F96 HydrophobicContact CB-CB 3.72Å; I88-F96 HydrophobicContact CG2-CB 4.42Å; I88-F96 PolarHBondContact N-O 2.72Å; I88-R98 HydrophobicContact CD1-CB 3.93Å; I88-R98 HydrophobicContact CG1-CB 4.21Å; I88-M153 HydrophobicContact CD1-CE 3.47Å; I88-M153 VanDerWaalsContact CD1-CE 3.47Å; I88-M153 HydrophobicContact CD1-CG 3.98Å; I88-M153 HydrophobicContact CD1-SD 3.56Å; I88-M153 VanDerWaalsContact CD1-SD 3.56Å; I88-M153 HydrophobicContact CG2-CE 4.42Å
89C45.8Very low49.9Very low46 Ų4648.6 Ų48.631%0.31125%0.249SC..  trans-62.7133.4-179.3-73.80000111.7C19 E29C19-C89 HydrophobicContact CB-CB 4.06Å; C19-C89 WeakPolarHBondContact CB-SG 3.27Å; C19-C89 WeakPolarHBondContact SG-CB 3.46Å; C19-C89 CovalentContact SG-SG 2.02Å; C19-C89 PolarHBondContact SG-SG 3.33Å; E29-C89 WeakPolarHBondContact OE1-CA 3.32Å
90S41.1Very low50.1Low7 Ų747.9 Ų47.95%0.04925%0.247CC..  trans-119134.6176-174.10000111.9E29 I88 N92 I94 F96E29-S90 PolarHBondContact OE1-N 2.9Å; I88-S90 PolarHBondContact O-N 3.16Å; S90-N92 PolarHBondContact O-N 2.83Å; S90-N92 PolarHBondContact OG-N 3.37Å; S90-I94 WeakPolarHBondContact CB-O 3.26Å; S90-I94 PolarHBondContact OG-O 3.41Å; S90-F96 VanDerWaalsContact OG-CE2 3.24Å; S90-F96 WeakPolarHBondContact OG-CE2 3.14Å
91K39.6Very low50.3Low193 Ų19343.3 Ų43.384%0.83922%0.223SC*.THydrogen-bonded Turntrans-70.2-18.5173.6-165.9176.9177.1-175.30112.8
92N42.2Very low50.1Low128 Ų12840.4 Ų40.468%0.68421%0.213SC*.THydrogen-bonded Turntrans-108.315.7-165.7-65-7.5000114.2S90 I94S90-N92 PolarHBondContact O-N 2.83Å; S90-N92 PolarHBondContact OG-N 3.37Å; N92-I94 HydrophobicContact CB-CD1 4.21Å; N92-I94 HydrophobicContact CB-CG1 4.41Å; N92-I94 PolarHBondContact O-N 3.2Å
93G41.8Very low49.8Very low30 Ų3046.6 Ų46.631%0.30924%0.239SC..SBendtrans7412.7-178.500000114.3
94I45.2Very low49.3Very low47 Ų4747.2 Ų47.224%0.24125%0.245CC..PPolyproline II helixtrans-97.6127.7179.6-62.4170.4000107.8S90 N92 F96S90-I94 WeakPolarHBondContact CB-O 3.26Å; S90-I94 PolarHBondContact OG-O 3.41Å; N92-I94 HydrophobicContact CB-CD1 4.21Å; N92-I94 HydrophobicContact CB-CG1 4.41Å; N92-I94 PolarHBondContact O-N 3.2Å; I94-F96 HydrophobicContact CB-CE2 4.48Å; I94-F96 HydrophobicContact CB-CZ 4.4Å; I94-F96 HydrophobicContact CG2-CD1 4.39Å; I94-F96 HydrophobicContact CG2-CE1 4.02Å; I94-F96 HydrophobicContact CG2-CE2 4.37Å; I94-F96 HydrophobicContact CG2-CZ 4Å; I94-F96 PolarHBondContact O-N 3.09Å
95L48.6Very low48.7Very low6 Ų646.3 Ų46.33%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-83.1121.9174.8-177.465.2000108.8E29 F32 F56 P87 L156E29-L95 HydrophobicContact CG-CD1 3.81Å; F32-L95 HydrophobicContact CB-CD1 4.46Å; F32-L95 HydrophobicContact CB-CD2 4.04Å; F32-L95 HydrophobicContact CD2-CD2 3.7Å; F32-L95 HydrophobicContact CE2-CD2 4.39Å; F32-L95 HydrophobicContact CG-CD1 4.5Å; F32-L95 HydrophobicContact CG-CD2 3.99Å; F56-L95 HydrophobicContact CD1-CD2 4.3Å; P87-L95 HydrophobicContact CB-CD1 4.22Å; L95-L156 HydrophobicContact CB-CB 4.44Å; L95-L156 HydrophobicContact CD2-CD1 4.32Å; L95-L156 PolarHBondContact N-O 3.1Å; L95-L156 CarbonylContact O-C 3.29Å; L95-L156 WeakPolarHBondContact O-CA 3.33Å; L95-L156 VanDerWaalsContact O-CB 3.32Å; L95-L156 WeakPolarHBondContact O-CB 2.91Å; L95-L156 PolarHBondContact O-N 2.83Å; L95-L156 VanDerWaalsContact O-N 3.14Å
96F49Very low48Very low35 Ų3548.2 Ų48.215%0.15425%0.254CS..EExtended strand (participates in β ladder)trans-99.5129.2171.5-66.2-71.6000109.2P87 I88 S90 I94 M153 F155P87-F96 CarbonylContact C-O 3.27Å; P87-F96 WeakPolarHBondContact CA-O 2.83Å; I88-F96 HydrophobicContact CB-CB 3.72Å; I88-F96 HydrophobicContact CG2-CB 4.42Å; I88-F96 PolarHBondContact N-O 2.72Å; S90-F96 VanDerWaalsContact OG-CE2 3.24Å; S90-F96 WeakPolarHBondContact OG-CE2 3.14Å; I94-F96 HydrophobicContact CB-CE2 4.48Å; I94-F96 HydrophobicContact CB-CZ 4.4Å; I94-F96 HydrophobicContact CG2-CD1 4.39Å; I94-F96 HydrophobicContact CG2-CE1 4.02Å; I94-F96 HydrophobicContact CG2-CE2 4.37Å; I94-F96 HydrophobicContact CG2-CZ 4Å; I94-F96 PolarHBondContact O-N 3.09Å; F96-M153 HydrophobicContact CB-CE 3.88Å; F96-M153 HydrophobicContact CD1-CE 3.68Å; F96-M153 HydrophobicContact CD2-CE 4.5Å; F96-M153 HydrophobicContact CE1-CE 4.33Å; F96-M153 HydrophobicContact CG-CE 3.79Å; F96-F155 AromaticContact CD1-CD1 3.94Å; F96-F155 HydrophobicContact CD1-CD1 3.94Å; F96-F155 HydrophobicContact CD1-CE1 4.21Å; F96-F155 AromaticContact CE1-CD1 3.49Å; F96-F155 HydrophobicContact CE1-CD1 3.49Å; F96-F155 VanDerWaalsContact CE1-CD1 3.49Å; F96-F155 AromaticContact CE1-CE1 3.65Å; F96-F155 HydrophobicContact CE1-CE1 3.65Å
97L52Low47.3Very low1 Ų158.2 Ų58.21%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-109.6120176.7-174.764.1000109.5F32 I51 L57 L85 I99 I154 L156F32-L97 HydrophobicContact CE1-CD1 4.27Å; F32-L97 HydrophobicContact CE2-CD1 3.93Å; F32-L97 HydrophobicContact CZ-CD1 3.39Å; I51-L97 HydrophobicContact CG2-CD2 4.41Å; L57-L97 HydrophobicContact CD2-CD2 4.33Å; L85-L97 HydrophobicContact CD2-CD1 4.38Å; L85-L97 HydrophobicContact CD2-CD2 4.43Å; L85-L97 HydrophobicContact CD2-CG 4.48Å; L97-I99 HydrophobicContact CD2-CD1 4.21Å; L97-I99 HydrophobicContact CD2-CG1 4.27Å; L97-I99 HydrophobicContact CG-CG1 4.2Å; L97-I154 PolarHBondContact N-O 3.21Å; L97-I154 VanDerWaalsContact N-O 3.08Å; L97-I154 PolarHBondContact O-N 2.94Å; L97-L156 HydrophobicContact CB-CD1 3.86Å; L97-L156 HydrophobicContact CB-CG 4.42Å; L97-L156 HydrophobicContact CD2-CD1 4.11Å
98R55.2Low47Very low74 Ų7464.8 Ų64.828%0.27931%0.313SS..EExtended strand (participates in β ladder)trans-90.2126.8168.2-173.9179.6-69.8175.7-0.3108.9L85 S86 I88L85-R98 CarbonylContact C-O 3.51Å; L85-R98 VanDerWaalsContact CA-O 3.3Å; L85-R98 WeakPolarHBondContact CA-O 3.4Å; S86-R98 PolarHBondContact N-O 3.28Å; S86-R98 VanDerWaalsContact O-CB 3.3Å; S86-R98 WeakPolarHBondContact O-CB 3.07Å; S86-R98 PolarHBondContact O-N 2.84Å; I88-R98 HydrophobicContact CD1-CB 3.93Å; I88-R98 HydrophobicContact CG1-CB 4.21Å
99I56.6Low46.6Very low0 Ų066 Ų660%032%0.317CS..EExtended strand (participates in β ladder)trans-113.3119.3170.6-49.3-158000108.4L57 W59 F62 V82 L85 L97 F101 A152 I154L57-I99 HydrophobicContact CD2-CD1 4.08Å; W59-I99 HydrophobicContact CZ3-CD1 4.47Å; F62-I99 HydrophobicContact CE1-CD1 4.23Å; F62-I99 HydrophobicContact CZ-CD1 4.34Å; V82-I99 HydrophobicContact CB-CG2 4.32Å; V82-I99 HydrophobicContact CG1-CG2 3.55Å; V82-I99 HydrophobicContact CG2-CG2 3.82Å; L85-I99 HydrophobicContact CD2-CB 4.06Å; L85-I99 HydrophobicContact CD2-CD1 3.83Å; L85-I99 HydrophobicContact CD2-CG1 3.55Å; L85-I99 HydrophobicContact CD2-CG2 3.96Å; L97-I99 HydrophobicContact CD2-CD1 4.21Å; L97-I99 HydrophobicContact CD2-CG1 4.27Å; L97-I99 HydrophobicContact CG-CG1 4.2Å; I99-F101 HydrophobicContact CB-CE2 4.02Å; I99-F101 HydrophobicContact CB-CZ 4.23Å; I99-F101 HydrophobicContact CG2-CD2 4.38Å; I99-F101 HydrophobicContact CG2-CE1 4.15Å; I99-F101 HydrophobicContact CG2-CE2 3.72Å; I99-F101 HydrophobicContact CG2-CZ 3.6Å; I99-A152 PolarHBondContact N-O 2.88Å; I99-A152 PolarHBondContact O-N 3.02Å; I99-A152 VanDerWaalsContact O-O 3.13Å; I99-I154 HydrophobicContact CD1-CD1 3.32Å; I99-I154 HydrophobicContact CG1-CD1 3.75Å
100C55.9Low46.4Very low8 Ų866.5 Ų66.55%0.05433%0.33CS..EExtended strand (participates in β ladder)trans-96129.2178.2-63.30000109.3V82 E83 D84 T151V82-C100 CarbonylContact C-O 3.54Å; V82-C100 WeakPolarHBondContact CA-O 2.76Å; E83-C100 PolarHBondContact N-O 2.91Å; D84-C100 HydrophobicContact CB-CB 3.85Å; D84-C100 PolarHBondContact N-O 2.98Å; D84-C100 PolarHBondContact O-N 2.83Å; C100-T151 HydrophobicContact CB-CG2 4.43Å
101F52.8Low46.3Very low8 Ų873 Ų734%0.03537%0.369CS..EExtended strand (participates in β ladder)trans-104.7149.4-178.8-65.4-90.9000113.2L67 F81 V82 I99 K103 P105 K149 S150 A152L67-F101 HydrophobicContact CD1-CE1 4.47Å; L67-F101 HydrophobicContact CD2-CE1 4.38Å; L67-F101 HydrophobicContact CD2-CZ 4.06Å; F81-F101 HydrophobicContact CB-CD1 4.32Å; F81-F101 CarbonylContact O-C 3.56Å; F81-F101 VanDerWaalsContact O-C 3.29Å; F81-F101 WeakPolarHBondContact O-CA 3.34Å; F81-F101 WeakPolarHBondContact O-CB 3.24Å; F81-F101 WeakPolarHBondContact O-CD1 3.43Å; V82-F101 HydrophobicContact CG2-CD1 4.03Å; V82-F101 HydrophobicContact CG2-CE1 3.76Å; I99-F101 HydrophobicContact CB-CE2 4.02Å; I99-F101 HydrophobicContact CB-CZ 4.23Å; I99-F101 HydrophobicContact CG2-CD2 4.38Å; I99-F101 HydrophobicContact CG2-CE1 4.15Å; I99-F101 HydrophobicContact CG2-CE2 3.72Å; I99-F101 HydrophobicContact CG2-CZ 3.6Å; F101-K103 VanDerWaalsContact C-N 3.33Å; F101-P105 HydrophobicContact CD2-CG 4.23Å; F101-P105 HydrophobicContact CG-CG 4.39Å; F101-K149 WeakPolarHBondContact O-CB 3.31Å; F101-S150 PolarHBondContact N-O 2.83Å; F101-A152 HydrophobicContact CD2-CB 4.4Å; F101-A152 HydrophobicContact CE2-CB 3.68Å
102S46.7Very low46.5Very low20 Ų2065.1 Ų65.114%0.1434%0.338CS..SBendtrans-80.6-12.5178.575.20000113.9I80 F81 E83 K149I80-S102 PolarHBondContact O-OG 2.96Å; F81-S102 WeakPolarHBondContact CA-OG 3.33Å; F81-S102 PolarHBondContact O-N 2.72Å; E83-S102 VanDerWaalsContact CD-CA 3.4Å; E83-S102 WeakPolarHBondContact OE1-CA 3.36Å; E83-S102 WeakPolarHBondContact OE1-CB 3.24Å; S102-K149 WeakPolarHBondContact O-CD 3.42Å; S102-K149 WeakPolarHBondContact O-CE 3.03Å; S102-K149 WeakPolarHBondContact O-CG 3.28Å; S102-K149 PolarHBondContact O-NZ 2.98Å
103K49.3Very low46.4Very low138 Ų13863.4 Ų63.460%0.633%0.329SS*.SBendtrans-144.4152.8176.6-66.4-175.2-176.8176.20108.8F81 F101 P105 S150F81-K103 HydrophobicContact CD1-CD 4.24Å; F81-K103 HydrophobicContact CD1-CG 4.49Å; F81-K103 HydrophobicContact CE1-CD 4.11Å; F101-K103 VanDerWaalsContact C-N 3.33Å; K103-P105 WeakPolarHBondContact O-CD 3.18Å; K103-P105 VanDerWaalsContact O-N 3.09Å; K103-S150 PolarHBondContact O-OG 2.98Å
104N45.9Very low46.4Very low95 Ų9565.6 Ų65.651%0.50834%0.336SS..  trans-59.8108.3177.3-166.24.9000112T106 S150N104-T106 PolarHBondContact ND2-OG1 2.86Å; N104-T106 PolarHBondContact O-N 3.43Å; N104-T106 VanDerWaalsContact OD1-CB 3.26Å; N104-T106 WeakPolarHBondContact OD1-CB 3.33Å; N104-T106 VanDerWaalsContact OD1-CG2 3.27Å; N104-T106 WeakPolarHBondContact OD1-CG2 3.43Å; N104-T106 PolarHBondContact OD1-N 2.93Å; N104-T106 PolarHBondContact OD1-OG1 3.49Å; N104-S150 WeakPolarHBondContact CA-OG 3.32Å; N104-S150 WeakPolarHBondContact OD1-CB 3.32Å
105P45.6Very low46.2Very low38 Ų3868 Ų6825%0.24735%0.345CS..G310 helixtrans-76.7-13175.238.8-36.5000109.8F101 K103 R107 F109 S150F101-P105 HydrophobicContact CD2-CG 4.23Å; F101-P105 HydrophobicContact CG-CG 4.39Å; K103-P105 WeakPolarHBondContact O-CD 3.18Å; K103-P105 VanDerWaalsContact O-N 3.09Å; P105-R107 PolarHBondContact O-N 3.14Å; P105-F109 HydrophobicContact CB-CE2 3.75Å; P105-F109 HydrophobicContact CB-CZ 4.5Å; P105-F109 HydrophobicContact CG-CE2 3.98Å; P105-F109 VanDerWaalsContact O-CE2 3.27Å; P105-F109 WeakPolarHBondContact O-CE2 2.89Å; P105-S150 WeakPolarHBondContact CD-OG 3.48Å
106T40.7Very low45.7Very low42 Ų4275 Ų7526%0.25838%0.382SS..G310 helixtrans-73.714.5-177.680.10000115.6N104 K108 F109 F125N104-T106 PolarHBondContact ND2-OG1 2.86Å; N104-T106 PolarHBondContact O-N 3.43Å; N104-T106 VanDerWaalsContact OD1-CB 3.26Å; N104-T106 WeakPolarHBondContact OD1-CB 3.33Å; N104-T106 VanDerWaalsContact OD1-CG2 3.27Å; N104-T106 WeakPolarHBondContact OD1-CG2 3.43Å; N104-T106 PolarHBondContact OD1-N 2.93Å; N104-T106 PolarHBondContact OD1-OG1 3.49Å; T106-K108 PolarHBondContact O-N 3.43Å; T106-F109 HydrophobicContact CG2-CD2 3.95Å; T106-F125 HydrophobicContact CG2-CE1 4.36Å; T106-F125 HydrophobicContact CG2-CE2 4.25Å; T106-F125 HydrophobicContact CG2-CZ 3.58Å
107R40.3Very low45.4Very low240 Ų24076.3 Ų76.391%0.90639%0.393SS*.G310 helixtrans-63.3-7.8170.6-129.1-178.7-175.7-175.20.4113.1P105P105-R107 PolarHBondContact O-N 3.14Å
108K43.9Very low44.5Very low167 Ų16782 Ų8273%0.72644%0.439SS*.SBendtrans-1402.8177.4-82.8-171.6171.1-171.80117.8T106 G110T106-K108 PolarHBondContact O-N 3.43Å; K108-G110 VanDerWaalsContact C-N 3.26Å; K108-G110 PolarHBondContact O-N 3.08Å
109F41Very low43.6Very low63 Ų6382.3 Ų82.328%0.27645%0.447SS..SBendtrans-82.415.6-176.2-64.7-56.2000115.8H66 P105 T106 F125H66-F109 WeakPolarHBondContact O-CE1 3.14Å; H66-F109 WeakPolarHBondContact O-CZ 3.48Å; P105-F109 HydrophobicContact CB-CE2 3.75Å; P105-F109 HydrophobicContact CB-CZ 4.5Å; P105-F109 HydrophobicContact CG-CE2 3.98Å; P105-F109 VanDerWaalsContact O-CE2 3.27Å; P105-F109 WeakPolarHBondContact O-CE2 2.89Å; T106-F109 HydrophobicContact CG2-CD2 3.95Å; F109-F125 HydrophobicContact CB-CD1 3.64Å; F109-F125 HydrophobicContact CB-CE1 3.55Å; F109-F125 HydrophobicContact CB-CG 4.38Å; F109-F125 HydrophobicContact CB-CZ 4.26Å; F109-F125 VanDerWaalsContact O-CD1 3.29Å; F109-F125 WeakPolarHBondContact O-CD1 3.21Å
110G41.4Very low42.9Very low57 Ų5783.4 Ų83.459%0.58846%0.458SS*.  trans67.9-167.5-174.100000113.2K108 P112K108-G110 VanDerWaalsContact C-N 3.26Å; K108-G110 PolarHBondContact O-N 3.08Å; G110-P112 WeakPolarHBondContact O-CD 3.43Å
111T39.2Very low42Very low143 Ų14383.6 Ų83.688%0.87746%0.46SS*.PPolyproline II helixtrans-88.3116.1178.3-44.10000109
112P42.3Very low41.6Very low28 Ų2885.5 Ų85.518%0.18247%0.471CS..PPolyproline II helixtrans-69.6153.6177.325.9-32.1000112.1G110 V114 F123 Q124 F125G110-P112 WeakPolarHBondContact O-CD 3.43Å; P112-V114 HydrophobicContact CG-CG2 4.48Å; P112-V114 PolarHBondContact O-N 3.34Å; P112-F123 HydrophobicContact CB-CB 3.7Å; P112-F123 HydrophobicContact CB-CD1 4.15Å; P112-F123 HydrophobicContact CB-CG 4.43Å; P112-F123 HydrophobicContact CG-CB 3.96Å; P112-F123 HydrophobicContact CG-CD1 3.57Å; P112-F123 HydrophobicContact CG-CG 4.2Å; P112-Q124 CarbonylContact C-O 3.52Å; P112-Q124 VanDerWaalsContact CA-O 3.27Å; P112-Q124 WeakPolarHBondContact CA-O 3.3Å; P112-Q124 WeakPolarHBondContact CB-O 3.35Å; P112-F125 HydrophobicContact CB-CD1 3.89Å; P112-F125 HydrophobicContact CB-CE1 3.5Å; P112-F125 HydrophobicContact CB-CE2 4.18Å; P112-F125 HydrophobicContact CB-CG 4.4Å; P112-F125 HydrophobicContact CB-CZ 3.65Å; P112-F125 HydrophobicContact CG-CE1 3.84Å; P112-F125 HydrophobicContact CG-CZ 3.9Å
113D40.7Very low41.4Very low91 Ų9187.1 Ų87.149%0.48748%0.475SS..EExtended strand (participates in β ladder)trans-70.7125.2159.3-70.1-41000109F115 F123 Q124D113-F115 HydrophobicContact CB-CE2 3.72Å; D113-F115 HydrophobicContact CB-CZ 4.12Å; D113-F123 CarbonylContact O-C 3.57Å; D113-F123 WeakPolarHBondContact O-CA 3.42Å; D113-Q124 HydrophobicContact CB-CB 4.27Å; D113-Q124 PolarHBondContact N-O 3.33Å; D113-Q124 PolarHBondContact O-N 3.23Å
114V41.5Very low41.1Very low77 Ų7782.9 Ų82.947%0.46746%0.457SS..EExtended strand (participates in β ladder)trans-104.5112.4-174.4-170.80000109.5P112 A121 L122 F123P112-V114 HydrophobicContact CG-CG2 4.48Å; P112-V114 PolarHBondContact O-N 3.34Å; V114-A121 HydrophobicContact CG1-CB 3.92Å; V114-L122 CarbonylContact C-O 3.53Å; V114-L122 WeakPolarHBondContact CA-O 3.2Å; V114-F123 HydrophobicContact CG1-CD1 4.33Å; V114-F123 HydrophobicContact CG1-CE1 4.04Å; V114-F123 HydrophobicContact CG2-CD1 3.83Å; V114-F123 HydrophobicContact CG2-CE1 3.94Å
115F41.2Very low41Very low96 Ų9679.1 Ų79.142%0.42144%0.437SS..EExtended strand (participates in β ladder)trans-101116.4172.5-56-89.5000109D113 T117 A121 L122 Q124D113-F115 HydrophobicContact CB-CE2 3.72Å; D113-F115 HydrophobicContact CB-CZ 4.12Å; F115-T117 PolarHBondContact O-N 3.39Å; F115-A121 WeakPolarHBondContact O-CA 3.03Å; F115-L122 HydrophobicContact CB-CB 4.21Å; F115-L122 HydrophobicContact CD2-CD2 4.45Å; F115-L122 PolarHBondContact N-O 2.84Å; F115-L122 PolarHBondContact O-N 2.74Å; F115-Q124 HydrophobicContact CD2-CB 4.05Å; F115-Q124 HydrophobicContact CE2-CB 3.55Å; F115-Q124 HydrophobicContact CE2-CG 4.28Å
116L39.1Very low40.7Very low154 Ų15484.3 Ų84.381%0.80646%0.458SS*.EExtended strand (participates in β ladder)trans-75.6125175.4-62173.6000109A121L116-A121 HydrophobicContact CD2-CB 4.35Å
117T41.8Very low40.5Very low63 Ų6384.4 Ų84.439%0.38746%0.458SS..EExtended strand (participates in β ladder)trans-112.9168175.965.50000110.2F115 D119 G120 L122F115-T117 PolarHBondContact O-N 3.39Å; T117-D119 VanDerWaalsContact CB-OD1 3.28Å; T117-D119 WeakPolarHBondContact CB-OD1 3.32Å; T117-D119 PolarHBondContact O-N 2.69Å; T117-D119 VanDerWaalsContact O-N 3.14Å; T117-D119 PolarHBondContact OG1-OD1 2.83Å; T117-G120 PolarHBondContact N-O 3.29Å; T117-G120 PolarHBondContact O-N 3.49Å; T117-G120 VanDerWaalsContact O-O 3.11Å; T117-G120 PolarHBondContact OG1-N 2.84Å; T117-G120 PolarHBondContact OG1-O 3.34Å; T117-G120 VanDerWaalsContact OG1-O 3.13Å; T117-L122 HydrophobicContact CG2-CB 4.28Å
118A33Very low40.4Very low119 Ų11980.7 Ų80.798%0.98346%0.456SS*.THydrogen-bonded Turntrans-62.8-19.318000000113.6
119D36.2Very low40.1Very low81 Ų8175.9 Ų75.943%0.43345%0.454SS..THydrogen-bonded Turntrans-118.81.4-173.365.4-39.4000114T117 C137T117-D119 VanDerWaalsContact CB-OD1 3.28Å; T117-D119 WeakPolarHBondContact CB-OD1 3.32Å; T117-D119 PolarHBondContact O-N 2.69Å; T117-D119 VanDerWaalsContact O-N 3.14Å; T117-D119 PolarHBondContact OG1-OD1 2.83Å; D119-C137 PolarHBondContact OD2-SG 3Å; D119-C137 VanDerWaalsContact OD2-SG 3.35Å
120G43.1Very low40Very low24 Ų2479 Ų7925%0.24747%0.469CS..EExtended strand (participates in β ladder)trans160.9-152.1179.800000114.2T117T117-G120 PolarHBondContact N-O 3.29Å; T117-G120 PolarHBondContact O-N 3.49Å; T117-G120 VanDerWaalsContact O-O 3.11Å; T117-G120 PolarHBondContact OG1-N 2.84Å; T117-G120 PolarHBondContact OG1-O 3.34Å; T117-G120 VanDerWaalsContact OG1-O 3.13Å
121A36.1Very low40Very low11 Ų1178.8 Ų78.89%0.09146%0.456CS..EExtended strand (participates in β ladder)trans-119.7131.4172.100000109.2V114 F115 L116 F123 S135 S136V114-A121 HydrophobicContact CG1-CB 3.92Å; F115-A121 WeakPolarHBondContact O-CA 3.03Å; L116-A121 HydrophobicContact CD2-CB 4.35Å; A121-F123 HydrophobicContact CB-CE1 4.43Å; A121-F123 HydrophobicContact CB-CE2 3.8Å; A121-F123 HydrophobicContact CB-CZ 3.71Å; A121-F123 WeakPolarHBondContact O-CE2 3.32Å; A121-S135 CarbonylContact O-C 3.47Å; A121-S135 VanDerWaalsContact O-CA 3.24Å; A121-S135 WeakPolarHBondContact O-CA 3.32Å; A121-S136 PolarHBondContact N-OG 2.71Å; A121-S136 PolarHBondContact O-N 3.28Å; A121-S136 PolarHBondContact O-OG 2.78Å
122L44.5Very low40.1Very low49 Ų4973.4 Ų73.426%0.25742%0.422SS..EExtended strand (participates in β ladder)trans-94121.4168.3-175.781.2000107.7V114 F115 T117 S134V114-L122 CarbonylContact C-O 3.53Å; V114-L122 WeakPolarHBondContact CA-O 3.2Å; F115-L122 HydrophobicContact CB-CB 4.21Å; F115-L122 HydrophobicContact CD2-CD2 4.45Å; F115-L122 PolarHBondContact N-O 2.84Å; F115-L122 PolarHBondContact O-N 2.74Å; T117-L122 HydrophobicContact CG2-CB 4.28Å; L122-S134 CarbonylContact C-O 3.54Å; L122-S134 WeakPolarHBondContact CA-O 2.99Å
123F42.1Very low40.1Very low53 Ų5372.5 Ų72.523%0.23242%0.416CS..EExtended strand (participates in β ladder)trans-100.2113.6176.4-57.4-86000108.1P112 D113 V114 A121 F125 S133 S134P112-F123 HydrophobicContact CB-CB 3.7Å; P112-F123 HydrophobicContact CB-CD1 4.15Å; P112-F123 HydrophobicContact CB-CG 4.43Å; P112-F123 HydrophobicContact CG-CB 3.96Å; P112-F123 HydrophobicContact CG-CD1 3.57Å; P112-F123 HydrophobicContact CG-CG 4.2Å; D113-F123 CarbonylContact O-C 3.57Å; D113-F123 WeakPolarHBondContact O-CA 3.42Å; V114-F123 HydrophobicContact CG1-CD1 4.33Å; V114-F123 HydrophobicContact CG1-CE1 4.04Å; V114-F123 HydrophobicContact CG2-CD1 3.83Å; V114-F123 HydrophobicContact CG2-CE1 3.94Å; A121-F123 HydrophobicContact CB-CE1 4.43Å; A121-F123 HydrophobicContact CB-CE2 3.8Å; A121-F123 HydrophobicContact CB-CZ 3.71Å; A121-F123 WeakPolarHBondContact O-CE2 3.32Å; F123-F125 HydrophobicContact CB-CE2 4.09Å; F123-F125 HydrophobicContact CB-CZ 4.34Å; F123-S133 CarbonylContact O-C 3.47Å; F123-S133 WeakPolarHBondContact O-CA 3.12Å; F123-S134 PolarHBondContact N-O 3.29Å; F123-S134 PolarHBondContact O-N 2.67Å
124Q44.3Very low40.3Very low49 Ų4968.6 Ų68.623%0.22940%0.396CS..EExtended strand (participates in β ladder)trans-104133.1178.9-160.7171.2-4200108.8P112 D113 F115 V131 I132P112-Q124 CarbonylContact C-O 3.52Å; P112-Q124 VanDerWaalsContact CA-O 3.27Å; P112-Q124 WeakPolarHBondContact CA-O 3.3Å; P112-Q124 WeakPolarHBondContact CB-O 3.35Å; D113-Q124 HydrophobicContact CB-CB 4.27Å; D113-Q124 PolarHBondContact N-O 3.33Å; D113-Q124 PolarHBondContact O-N 3.23Å; F115-Q124 HydrophobicContact CD2-CB 4.05Å; F115-Q124 HydrophobicContact CE2-CB 3.55Å; F115-Q124 HydrophobicContact CE2-CG 4.28Å; Q124-V131 HydrophobicContact CG-CG1 3.36Å; Q124-I132 CarbonylContact C-O 3.57Å; Q124-I132 WeakPolarHBondContact CA-O 3.31Å
125F43.2Very low40.4Very low17 Ų1765.7 Ų65.78%0.07538%0.379CS..EExtended strand (participates in β ladder)trans-113.9125.1175.2-57.1-87.9000106.9T106 F109 P112 F123 T127 I132T106-F125 HydrophobicContact CG2-CE1 4.36Å; T106-F125 HydrophobicContact CG2-CE2 4.25Å; T106-F125 HydrophobicContact CG2-CZ 3.58Å; F109-F125 HydrophobicContact CB-CD1 3.64Å; F109-F125 HydrophobicContact CB-CE1 3.55Å; F109-F125 HydrophobicContact CB-CG 4.38Å; F109-F125 HydrophobicContact CB-CZ 4.26Å; F109-F125 VanDerWaalsContact O-CD1 3.29Å; F109-F125 WeakPolarHBondContact O-CD1 3.21Å; P112-F125 HydrophobicContact CB-CD1 3.89Å; P112-F125 HydrophobicContact CB-CE1 3.5Å; P112-F125 HydrophobicContact CB-CE2 4.18Å; P112-F125 HydrophobicContact CB-CG 4.4Å; P112-F125 HydrophobicContact CB-CZ 3.65Å; P112-F125 HydrophobicContact CG-CE1 3.84Å; P112-F125 HydrophobicContact CG-CZ 3.9Å; F123-F125 HydrophobicContact CB-CE2 4.09Å; F123-F125 HydrophobicContact CB-CZ 4.34Å; F125-T127 HydrophobicContact CB-CG2 4.46Å; F125-I132 HydrophobicContact CB-CB 4.43Å; F125-I132 PolarHBondContact N-O 3.46Å; F125-I132 PolarHBondContact O-N 3.27Å
126E39.3Very low40.3Very low147 Ų14764 Ų6469%0.68738%0.379SS*.EExtended strand (participates in β ladder)trans-92116.6168.1-167.2177.2173.200108.2H130E126-H130 WeakPolarHBondContact CA-O 3.37Å
127T36.5Very low40.2Very low43 Ų4357.8 Ų57.826%0.26435%0.348SS..EExtended strand (participates in β ladder)trans-128.5116.7178.460.90000108.5F125 G129 H130 I132F125-T127 HydrophobicContact CB-CG2 4.46Å; T127-G129 VanDerWaalsContact C-N 3.3Å; T127-G129 PolarHBondContact O-N 2.85Å; T127-H130 PolarHBondContact N-O 3.47Å; T127-H130 WeakPolarHBondContact O-CB 3.25Å; T127-H130 PolarHBondContact O-N 3.26Å; T127-I132 HydrophobicContact CG2-CD1 4.34Å; T127-I132 WeakPolarHBondContact OG1-CD1 3.04Å
128D37.2Very low39.8Very low163 Ų16360.3 Ų60.387%0.87236%0.364SS*.THydrogen-bonded Turntrans48.447.1176.1-60.8-28.8000114.1H130D128-H130 PolarHBondContact O-N 3.13Å; D128-H130 PolarHBondContact O-ND1 2.62Å
129G38.2Very low39.9Very low65 Ų6559.3 Ų59.367%0.6734%0.338SS*.THydrogen-bonded Turntrans72.68.6179.800000115T127T127-G129 VanDerWaalsContact C-N 3.3Å; T127-G129 PolarHBondContact O-N 2.85Å
130H39.4Very low39.4Very low129 Ų12961.3 Ų61.360%0.59736%0.358SS*.EExtended strand (participates in β ladder)trans-113.6142.4174.7-61.675.1000110.1E126 T127 D128E126-H130 WeakPolarHBondContact CA-O 3.37Å; T127-H130 PolarHBondContact N-O 3.47Å; T127-H130 WeakPolarHBondContact O-CB 3.25Å; T127-H130 PolarHBondContact O-N 3.26Å; D128-H130 PolarHBondContact O-N 3.13Å; D128-H130 PolarHBondContact O-ND1 2.62Å
131V40.8Very low38.6Very low52 Ų5262.3 Ų62.332%0.31537%0.368SS..EExtended strand (participates in β ladder)trans-93.5128.1176.9166.80000108.9Q124 F155Q124-V131 HydrophobicContact CG-CG1 3.36Å; V131-F155 HydrophobicContact CG1-CE2 4.42Å; V131-F155 HydrophobicContact CG1-CZ 4.37Å; V131-F155 WeakPolarHBondContact O-CD2 3.4Å; V131-F155 WeakPolarHBondContact O-CE2 3.35Å
132I42.2Very low38.3Very low30 Ų3070.1 Ų70.115%0.15441%0.406CS..EExtended strand (participates in β ladder)trans-119.1125.6170.6-58.2175000107.4H66 Q124 F125 T127H66-I132 WeakPolarHBondContact ND1-CD1 3.14Å; Q124-I132 CarbonylContact C-O 3.57Å; Q124-I132 WeakPolarHBondContact CA-O 3.31Å; F125-I132 HydrophobicContact CB-CB 4.43Å; F125-I132 PolarHBondContact N-O 3.46Å; F125-I132 PolarHBondContact O-N 3.27Å; T127-I132 HydrophobicContact CG2-CD1 4.34Å; T127-I132 WeakPolarHBondContact OG1-CD1 3.04Å
133S42.1Very low37.7Very low10 Ų1072.7 Ų72.77%0.0742%0.416CS..EExtended strand (participates in β ladder)trans-110.9140.9-177.7-53.40000111.4F123 A152 M153F123-S133 CarbonylContact O-C 3.47Å; F123-S133 WeakPolarHBondContact O-CA 3.12Å; S133-A152 CarbonylContact O-C 3.46Å; S133-M153 WeakPolarHBondContact O-CA 3.34Å; S133-M153 WeakPolarHBondContact O-CB 3.37Å; S133-M153 PolarHBondContact O-N 3.14Å
134S44.4Very low37Very low9 Ų974.2 Ų74.26%0.06345%0.446CS..EExtended strand (participates in β ladder)trans-124.7152.1174.7161.30000107L122 F123 T151L122-S134 CarbonylContact C-O 3.54Å; L122-S134 WeakPolarHBondContact CA-O 2.99Å; F123-S134 PolarHBondContact N-O 3.29Å; F123-S134 PolarHBondContact O-N 2.67Å; S134-T151 WeakPolarHBondContact CA-O 3.16Å; S134-T151 WeakPolarHBondContact CB-O 3.33Å; S134-T151 PolarHBondContact OG-O 3.18Å
135S44.3Very low36.3Very low16 Ų1681.5 Ų81.511%0.11247%0.472CS..EExtended strand (participates in β ladder)trans-133.5148171.871.80000112.6A121 C137 T151A121-S135 CarbonylContact O-C 3.47Å; A121-S135 VanDerWaalsContact O-CA 3.24Å; A121-S135 WeakPolarHBondContact O-CA 3.32Å; S135-C137 VanDerWaalsContact C-N 3.31Å; S135-C137 PolarHBondContact OG-SG 3.07Å; S135-T151 PolarHBondContact N-OG1 2.98Å; S135-T151 PolarHBondContact O-OG1 3.3Å
136S39.2Very low35.7Very low60 Ų6083 Ų8342%0.4248%0.483SS..  trans-93.222.5172.163.90000113.1A121 T138A121-S136 PolarHBondContact N-OG 2.71Å; A121-S136 PolarHBondContact O-N 3.28Å; A121-S136 PolarHBondContact O-OG 2.78Å; S136-T138 PolarHBondContact O-N 3.26Å; S136-T138 VanDerWaalsContact O-N 3.07Å
137C36.8Very low35.4Very low23 Ų2383.9 Ų83.916%0.15549%0.485CS..  trans-46.7118.9-172.8-66.40000111.6D119 S135 F139D119-C137 PolarHBondContact OD2-SG 3Å; D119-C137 VanDerWaalsContact OD2-SG 3.35Å; S135-C137 VanDerWaalsContact C-N 3.31Å; S135-C137 PolarHBondContact OG-SG 3.07Å; C137-F139 HydrophobicContact CB-CD2 4Å; C137-F139 HydrophobicContact CB-CE2 3.83Å; C137-F139 PolarHBondContact O-N 2.93Å
138T32.1Very low35.3Very low116 Ų11686.2 Ų86.271%0.71251%0.509SS*.  trans-88.794.1164.635.90000108S136 S140S136-T138 PolarHBondContact O-N 3.26Å; S136-T138 VanDerWaalsContact O-N 3.07Å; T138-S140 PolarHBondContact O-N 3.2Å; T138-S140 VanDerWaalsContact O-N 3.08Å
139F35.8Very low35.4Very low99 Ų9982.6 Ų82.643%0.43449%0.485SS..  trans-71.4102.9166.8-82-87000109.1C137C137-F139 HydrophobicContact CB-CD2 4Å; C137-F139 HydrophobicContact CB-CE2 3.83Å; C137-F139 PolarHBondContact O-N 2.93Å
140S25.7Very low35.6Very low122 Ų12280.4 Ų80.485%0.85346%0.46SS*.  trans-102.7112.6172.5173.60000109.9T138T138-S140 PolarHBondContact O-N 3.2Å; T138-S140 VanDerWaalsContact O-N 3.08Å
141G26.5Very low35.9Very low45 Ų4574.9 Ų74.946%0.46444%0.435SS..SBendtrans116.1107.616600000113.6F143G141-F143 WeakPolarHBondContact O-CD2 3.32Å; G141-F143 PolarHBondContact O-N 3.23Å
142I29.3Very low35.9Very low176 Ų17673.1 Ų73.190%0.90343%0.426SS*.SBendtrans61.5-21162.8-40.5180000117.7
143F31.3Very low35.9Very low102 Ų10273.5 Ų73.545%0.44743%0.427SS..SBendtrans-89.8135.2176.2-59.6-75.7000111.3D17 G141 R145D17-F143 HydrophobicContact CB-CD1 3.98Å; D17-F143 HydrophobicContact CB-CE1 3.56Å; D17-F143 HydrophobicContact CB-CZ 3.93Å; D17-F143 WeakPolarHBondContact OD2-CE1 3.49Å; D17-F143 WeakPolarHBondContact OD2-CZ 3.26Å; G141-F143 WeakPolarHBondContact O-CD2 3.32Å; G141-F143 PolarHBondContact O-N 3.23Å; F143-R145 PolarHBondContact O-N 2.82Å; F143-R145 VanDerWaalsContact O-N 3.1Å
144G29.2Very low36Very low85 Ų8574 Ų7488%0.87643%0.429SS*.  trans-41.9112.4-173.800000112.9
145R28Very low35.7Very low203 Ų20378 Ų7877%0.76645%0.446SS*.  trans-69.5124.4-158.8-66.6168.6170.7169.8-3113.4F143 K147F143-R145 PolarHBondContact O-N 2.82Å; F143-R145 VanDerWaalsContact O-N 3.1Å; R145-K147 PolarHBondContact O-N 3.45Å
146C31.9Very low35.7Very low47 Ų4778.7 Ų78.732%0.31845%0.448SS..  trans-82.6102.8151.3-132.50000108.2A148C146-A148 PolarHBondContact O-N 2.83Å
147K32Very low35.5Very low167 Ų16781.2 Ų81.273%0.72646%0.457SS*.  trans-92.988.1174.1-118.3-172.7-179.5-174.20108.5R145R145-K147 PolarHBondContact O-N 3.45Å
148A34.5Very low35.4Very low91 Ų9181.7 Ų81.775%0.75247%0.465SS*.SBendtrans44.185.1164.900000115.3C146C146-A148 PolarHBondContact O-N 2.83Å
149K39.2Very low35.5Very low87 Ų8782.5 Ų82.538%0.37847%0.465SS..  trans-154.4146150.1-79.9114179.9-124.30109.7E83 F101 S102 T151E83-K149 IonicContact OE1-NZ 3.01Å; E83-K149 PolarHBondContact OE1-NZ 2.79Å; F101-K149 WeakPolarHBondContact O-CB 3.31Å; S102-K149 WeakPolarHBondContact O-CD 3.42Å; S102-K149 WeakPolarHBondContact O-CE 3.03Å; S102-K149 WeakPolarHBondContact O-CG 3.28Å; S102-K149 PolarHBondContact O-NZ 2.98Å; K149-T151 PolarHBondContact O-N 3.19Å
150S43.6Very low35.7Very low20 Ų2081.4 Ų81.414%0.1446%0.463CS..  trans-32.6127.1166.851.10000114.3F101 K103 N104 P105F101-S150 PolarHBondContact N-O 2.83Å; K103-S150 PolarHBondContact O-OG 2.98Å; N104-S150 WeakPolarHBondContact CA-OG 3.32Å; N104-S150 WeakPolarHBondContact OD1-CB 3.32Å; P105-S150 WeakPolarHBondContact CD-OG 3.48Å
151T44.8Very low36.2Very low12 Ų1280.7 Ų80.77%0.07445%0.449CS..EExtended strand (participates in β ladder)trans-108.2151175.352.40000108.3C100 S134 S135 K149C100-T151 HydrophobicContact CB-CG2 4.43Å; S134-T151 WeakPolarHBondContact CA-O 3.16Å; S134-T151 WeakPolarHBondContact CB-O 3.33Å; S134-T151 PolarHBondContact OG-O 3.18Å; S135-T151 PolarHBondContact N-OG1 2.98Å; S135-T151 PolarHBondContact O-OG1 3.3Å; K149-T151 PolarHBondContact O-N 3.19Å
152A41.4Very low36.5Very low15 Ų1587.2 Ų87.212%0.12447%0.465CS..EExtended strand (participates in β ladder)trans-123135.4165.300000108.7I99 F101 S133I99-A152 PolarHBondContact N-O 2.88Å; I99-A152 PolarHBondContact O-N 3.02Å; I99-A152 VanDerWaalsContact O-O 3.13Å; F101-A152 HydrophobicContact CD2-CB 4.4Å; F101-A152 HydrophobicContact CE2-CB 3.68Å; S133-A152 CarbonylContact O-C 3.46Å
153M42Very low36.6Very low38 Ų3884.2 Ų84.219%0.18745%0.449CS..EExtended strand (participates in β ladder)trans-106.5120.2178.4-172.3169.8170.700107.5I88 F96 S133I88-M153 HydrophobicContact CD1-CE 3.47Å; I88-M153 VanDerWaalsContact CD1-CE 3.47Å; I88-M153 HydrophobicContact CD1-CG 3.98Å; I88-M153 HydrophobicContact CD1-SD 3.56Å; I88-M153 VanDerWaalsContact CD1-SD 3.56Å; I88-M153 HydrophobicContact CG2-CE 4.42Å; F96-M153 HydrophobicContact CB-CE 3.88Å; F96-M153 HydrophobicContact CD1-CE 3.68Å; F96-M153 HydrophobicContact CD2-CE 4.5Å; F96-M153 HydrophobicContact CE1-CE 4.33Å; F96-M153 HydrophobicContact CG-CE 3.79Å; S133-M153 WeakPolarHBondContact O-CA 3.34Å; S133-M153 WeakPolarHBondContact O-CB 3.37Å; S133-M153 PolarHBondContact O-N 3.14Å
154I44.8Very low36.6Very low20 Ų2082.3 Ų82.310%0.10345%0.449CS..EExtended strand (participates in β ladder)trans-106.1135.8-179.6-55.4165.7000108.1L57 F62 L97 I99 L156L57-I154 HydrophobicContact CD1-CD1 4.28Å; F62-I154 HydrophobicContact CD2-CD1 3.64Å; F62-I154 HydrophobicContact CD2-CG1 4.34Å; F62-I154 HydrophobicContact CE1-CD1 4.08Å; F62-I154 HydrophobicContact CE2-CD1 3.08Å; F62-I154 HydrophobicContact CE2-CG1 3.59Å; F62-I154 HydrophobicContact CG-CD1 4.4Å; F62-I154 HydrophobicContact CZ-CD1 3.34Å; F62-I154 HydrophobicContact CZ-CG1 4.08Å; L97-I154 PolarHBondContact N-O 3.21Å; L97-I154 VanDerWaalsContact N-O 3.08Å; L97-I154 PolarHBondContact O-N 2.94Å; I99-I154 HydrophobicContact CD1-CD1 3.32Å; I99-I154 HydrophobicContact CG1-CD1 3.75Å; I154-L156 HydrophobicContact CG2-CD2 4.34Å; I154-L156 PolarHBondContact O-N 2.79Å
155F38.2Very low36.7Very low95 Ų9584.3 Ų84.342%0.41745%0.449SS..EExtended strand (participates in β ladder)trans-87.3105.8174.7-62.3-99.1000108F96 V131 N157F96-F155 AromaticContact CD1-CD1 3.94Å; F96-F155 HydrophobicContact CD1-CD1 3.94Å; F96-F155 HydrophobicContact CD1-CE1 4.21Å; F96-F155 AromaticContact CE1-CD1 3.49Å; F96-F155 HydrophobicContact CE1-CD1 3.49Å; F96-F155 VanDerWaalsContact CE1-CD1 3.49Å; F96-F155 AromaticContact CE1-CE1 3.65Å; F96-F155 HydrophobicContact CE1-CE1 3.65Å; V131-F155 HydrophobicContact CG1-CE2 4.42Å; V131-F155 HydrophobicContact CG1-CZ 4.37Å; V131-F155 WeakPolarHBondContact O-CD2 3.4Å; V131-F155 WeakPolarHBondContact O-CE2 3.35Å; F155-N157 PolarHBondContact O-N 3.44Å
156L42.7Very low36.8Very low30 Ų3078.8 Ų78.816%0.15744%0.441CS..EExtended strand (participates in β ladder)trans-93.492.7167.2-63.2172.3000107F56 L57 L95 L97 I154 G158F56-L156 WeakPolarHBondContact O-CD1 3.48Å; F56-L156 WeakPolarHBondContact O-CD2 3.3Å; L57-L156 HydrophobicContact CD1-CD2 4.47Å; L95-L156 HydrophobicContact CB-CB 4.44Å; L95-L156 HydrophobicContact CD2-CD1 4.32Å; L95-L156 PolarHBondContact N-O 3.1Å; L95-L156 CarbonylContact O-C 3.29Å; L95-L156 WeakPolarHBondContact O-CA 3.33Å; L95-L156 VanDerWaalsContact O-CB 3.32Å; L95-L156 WeakPolarHBondContact O-CB 2.91Å; L95-L156 PolarHBondContact O-N 2.83Å; L95-L156 VanDerWaalsContact O-N 3.14Å; L97-L156 HydrophobicContact CB-CD1 3.86Å; L97-L156 HydrophobicContact CB-CG 4.42Å; L97-L156 HydrophobicContact CD2-CD1 4.11Å; I154-L156 HydrophobicContact CG2-CD2 4.34Å; I154-L156 PolarHBondContact O-N 2.79Å; L156-G158 PolarHBondContact O-N 3.07Å
157N36.5Very low36.7Very low113 Ų11381.2 Ų81.260%0.60446%0.459SS*.  trans-61.8133.4170.1-162.85.6000108.1F155 N159F155-N157 PolarHBondContact O-N 3.44Å; N157-N159 CarbonylContact O-C 3.54Å; N157-N159 PolarHBondContact O-N 3.35Å
158G33.4Very low36.5Very low32 Ų3277.6 Ų77.633%0.3346%0.455SS..SBendtrans-6211.4-169.700000116.5L156 I160L156-G158 PolarHBondContact O-N 3.07Å; G158-I160 PolarHBondContact O-N 2.99Å
159N34.6Very low36.4Very low133 Ų13379 Ų7971%0.71146%0.457SS*.  trans-74.182157.2-70.5-14.5000107.3N157 L161N157-N159 CarbonylContact O-C 3.54Å; N157-N159 PolarHBondContact O-N 3.35Å; N159-L161 PolarHBondContact O-N 3.07Å
160I39.6Very low36.2Very low76 Ų7680.7 Ų80.739%0.3947%0.468SS..  trans-41.5110159.4-63162.9000105.7L28 G158 K162L28-I160 HydrophobicContact CD2-CD1 3.59Å; L28-I160 HydrophobicContact CD2-CG1 4.1Å; G158-I160 PolarHBondContact O-N 2.99Å; I160-K162 HydrophobicContact CG2-CG 3.99Å; I160-K162 PolarHBondContact O-N 3.49Å
161L37.7Very low35.9Very low108 Ų10885.8 Ų85.857%0.56549%0.492SS*.  trans-6877.3169.8-98.5152.8000105.8N159 I163N159-L161 PolarHBondContact O-N 3.07Å; L161-I163 HydrophobicContact CB-CG1 4.35Å; L161-I163 HydrophobicContact CD2-CD1 3.88Å; L161-I163 HydrophobicContact CD2-CG1 3.61Å; L161-I163 PolarHBondContact O-N 3.39Å
162K32.4Very low35.5Very low181 Ų18191.8 Ų91.879%0.78752%0.523SS*.  trans-64.676.6152.2-77.3-173.1176.8179.30106I160 S164I160-K162 HydrophobicContact CG2-CG 3.99Å; I160-K162 PolarHBondContact O-N 3.49Å; K162-S164 PolarHBondContact O-N 2.84Å
163I30.6Very low35.5Very low114 Ų11498.6 Ų98.659%0.58555%0.547SS*.  trans-70.972.9153.1-58.3171.3000105.4L161 S165L161-I163 HydrophobicContact CB-CG1 4.35Å; L161-I163 HydrophobicContact CD2-CD1 3.88Å; L161-I163 HydrophobicContact CD2-CG1 3.61Å; L161-I163 PolarHBondContact O-N 3.39Å; I163-S165 PolarHBondContact O-N 3.13Å
164S30.7Very low35.8Very low62 Ų6299.6 Ų99.643%0.43456%0.558SS.*  trans10.295.2134.836.70000115.3K162 S166K162-S164 PolarHBondContact O-N 2.84Å; S164-S166 WeakPolarHBondContact CB-O 3.46Å; S164-S166 PolarHBondContact O-N 3.48Å
165S31.9Very low36.2Very low127 Ų127102.1 Ų102.189%0.88858%0.577SS**SBend-78.258.3126.753.30000109.1I163I163-S165 PolarHBondContact O-N 3.13Å
166S31.4Very low37Very low86 Ų86107.7 Ų107.760%0.60160%0.596SS**SBendtrans177.4103163.234.80000108.4S164S164-S166 WeakPolarHBondContact CB-O 3.46Å; S164-S166 PolarHBondContact O-N 3.48Å
167S28.8Very low38Very low98 Ų98109.8 Ų109.869%0.68561%0.61SS**  trans44.6115.7156.256.70000117.3
168S28.7Very low39.3Very low91 Ų91109.2 Ų109.264%0.63661%0.606SS**  trans-15.4138.7152.4-32.40000113.5I170S168-I170 PolarHBondContact O-N 3.3Å
169P31.8Very low41Very low122 Ų122114.6 Ų114.679%0.79262%0.621SS**  trans-69.682.9165.631.7-30.3000106.4I171P169-I171 VanDerWaalsContact C-N 3.25Å; P169-I171 PolarHBondContact O-N 3.36Å
170I34.1Very low42.7Very low122 Ų122110.3 Ų110.363%0.62661%0.608SS**  trans-52.3112.2145.2-58.5171.3000101.7S168 L172S168-I170 PolarHBondContact O-N 3.3Å; I170-L172 HydrophobicContact CB-CD1 3.89Å; I170-L172 HydrophobicContact CG2-CD1 3.66Å; I170-L172 HydrophobicContact CG2-CG 4.34Å; I170-L172 PolarHBondContact O-N 2.89Å
171I37.3Very low44.7Very low126 Ų126110.9 Ų110.965%0.64662%0.615SS**  trans-60.880.6165.3-57.7169.7000104.3P169 Y173P169-I171 VanDerWaalsContact C-N 3.25Å; P169-I171 PolarHBondContact O-N 3.36Å; I171-Y173 HydrophobicContact CB-CE2 4.4Å; I171-Y173 HydrophobicContact CG2-CD2 3.68Å; I171-Y173 HydrophobicContact CG2-CE1 4.48Å; I171-Y173 HydrophobicContact CG2-CE2 3.47Å; I171-Y173 VanDerWaalsContact CG2-CE2 3.47Å; I171-Y173 HydrophobicContact CG2-CG 4.28Å; I171-Y173 PolarHBondContact O-N 3.32Å
172L36.4Very low46.8Very low138 Ų138109.5 Ų109.572%0.72361%0.607SS**  trans-69.788.1158.4-94.5103.7000102.7I170 S174I170-L172 HydrophobicContact CB-CD1 3.89Å; I170-L172 HydrophobicContact CG2-CD1 3.66Å; I170-L172 HydrophobicContact CG2-CG 4.34Å; I170-L172 PolarHBondContact O-N 2.89Å; L172-S174 PolarHBondContact O-N 3.34Å
173Y41.7Very low49.2Very low159 Ų159102.2 Ų102.262%0.62458%0.584SS**  trans-43.5105.6145-70.4-84.6000105.1I171 S175I171-Y173 HydrophobicContact CB-CE2 4.4Å; I171-Y173 HydrophobicContact CG2-CD2 3.68Å; I171-Y173 HydrophobicContact CG2-CE1 4.48Å; I171-Y173 HydrophobicContact CG2-CE2 3.47Å; I171-Y173 VanDerWaalsContact CG2-CE2 3.47Å; I171-Y173 HydrophobicContact CG2-CG 4.28Å; I171-Y173 PolarHBondContact O-N 3.32Å; Y173-S175 PolarHBondContact O-N 3.03Å
174S48.3Very low51.7Low58 Ų58103.7 Ų103.741%0.40659%0.586SS.*  trans-46.6121.9168.9169.10000105.4L172 W176 T177L172-S174 PolarHBondContact O-N 3.34Å; S174-W176 PolarHBondContact O-N 3.16Å; S174-W176 WeakPolarHBondContact OG-CB 3.2Å; S174-T177 PolarHBondContact O-N 2.74Å; S174-T177 PolarHBondContact O-OG1 2.85Å
175S54.6Low54.5Low74 Ų74105.7 Ų105.752%0.51759%0.591SS.*Hα-helixtrans-50.7-26.3-175.6-43.90000111.2Y173 T177 L178 F179Y173-S175 PolarHBondContact O-N 3.03Å; S175-T177 PolarHBondContact O-N 2.7Å; S175-L178 PolarHBondContact O-N 2.9Å; S175-F179 WeakPolarHBondContact O-CD2 3.02Å; S175-F179 PolarHBondContact O-N 3.27Å
176W54.7Low57.2Low211 Ų211103.9 Ų103.980%0.79957%0.57SS**Hα-helixtrans-61.3-33.2173.7-62.488.6000115.6S174 G180S174-W176 PolarHBondContact O-N 3.16Å; S174-W176 WeakPolarHBondContact OG-CB 3.2Å; W176-G180 WeakPolarHBondContact O-CA 3.42Å; W176-G180 PolarHBondContact O-N 2.91Å
177T63.3Low59.8Low75 Ų75104.8 Ų104.846%0.4657%0.567SS.*Hα-helixtrans-75.1-35.317759.30000111.2S174 S175 G180 V181S174-T177 PolarHBondContact O-N 2.74Å; S174-T177 PolarHBondContact O-OG1 2.85Å; S175-T177 PolarHBondContact O-N 2.7Å; T177-G180 PolarHBondContact O-N 2.76Å; T177-V181 VanDerWaalsContact O-CG2 3.25Å; T177-V181 WeakPolarHBondContact O-CG2 3.12Å; T177-V181 PolarHBondContact O-N 3.45Å
178L63.5Low62.6Low100 Ų100102 Ų10252%0.52455%0.548SS..Hα-helixtrans-71.5-44.3176-150.8115.7000111.4S175 G180 V181 I182S175-L178 PolarHBondContact O-N 2.9Å; L178-G180 VanDerWaalsContact C-N 3.3Å; L178-G180 PolarHBondContact O-N 3.48Å; L178-V181 PolarHBondContact O-N 2.91Å; L178-I182 HydrophobicContact CD2-CD1 3.8Å; L178-I182 HydrophobicContact CG-CD1 4.4Å; L178-I182 WeakPolarHBondContact O-CB 3.12Å; L178-I182 WeakPolarHBondContact O-CD1 3.3Å; L178-I182 VanDerWaalsContact O-CG1 3.25Å; L178-I182 WeakPolarHBondContact O-CG1 3.01Å; L178-I182 PolarHBondContact O-N 2.93Å
179F69.1Low65.5Low145 Ų145104.1 Ų104.164%0.63655%0.546SS*.Hα-helixtrans-63.6-35.4171.7-73.8-62.6000112.3S175 G183S175-F179 WeakPolarHBondContact O-CD2 3.02Å; S175-F179 PolarHBondContact O-N 3.27Å; F179-G183 PolarHBondContact O-N 2.02Å
180G71.1Confident68.2Low43 Ų43104.4 Ų104.444%0.44354%0.535SS..Hα-helixtrans-65-45175.600000112.9W176 T177 L178 G183 F184W176-G180 WeakPolarHBondContact O-CA 3.42Å; W176-G180 PolarHBondContact O-N 2.91Å; T177-G180 PolarHBondContact O-N 2.76Å; L178-G180 VanDerWaalsContact C-N 3.3Å; L178-G180 PolarHBondContact O-N 3.48Å; G180-G183 PolarHBondContact O-N 2.76Å; G180-F184 WeakPolarHBondContact O-CB 3.41Å; G180-F184 PolarHBondContact O-N 3.09Å
181V81.3Confident70.8Confident88 Ų88103.4 Ų103.453%0.53353%0.53SS..Hα-helixtrans-67.8-42.9177.7172.90000111.2T177 L178 G183 F184 I185T177-V181 VanDerWaalsContact O-CG2 3.25Å; T177-V181 WeakPolarHBondContact O-CG2 3.12Å; T177-V181 PolarHBondContact O-N 3.45Å; L178-V181 PolarHBondContact O-N 2.91Å; V181-G183 VanDerWaalsContact C-N 3.35Å; V181-F184 PolarHBondContact O-N 3.36Å; V181-I185 HydrophobicContact CG1-CD1 3.94Å; V181-I185 VanDerWaalsContact O-CG1 3.28Å; V181-I185 WeakPolarHBondContact O-CG1 3.44Å; V181-I185 PolarHBondContact O-N 3.12Å
182I82Confident73.2Confident80 Ų80102.5 Ų102.541%0.4153%0.526SS..Hα-helixtrans-62.8-44.1175.5-67.1166.2000110.4L178 F184 I185 I186L178-I182 HydrophobicContact CD2-CD1 3.8Å; L178-I182 HydrophobicContact CG-CD1 4.4Å; L178-I182 WeakPolarHBondContact O-CB 3.12Å; L178-I182 WeakPolarHBondContact O-CD1 3.3Å; L178-I182 VanDerWaalsContact O-CG1 3.25Å; L178-I182 WeakPolarHBondContact O-CG1 3.01Å; L178-I182 PolarHBondContact O-N 2.93Å; I182-F184 PolarHBondContact O-N 3.14Å; I182-I185 PolarHBondContact O-N 3.38Å; I182-I186 HydrophobicContact CG2-CD1 3.78Å; I182-I186 HydrophobicContact CG2-CG1 4.49Å; I182-I186 VanDerWaalsContact O-CG1 3.3Å; I182-I186 WeakPolarHBondContact O-CG1 3.33Å; I182-I186 PolarHBondContact O-N 3.08Å
183G81.9Confident75.8Confident28 Ų2899.6 Ų99.629%0.28951%0.51SS..Hα-helixtrans-60.3-43.8175.600000112.4F179 G180 V181 I186 I187F179-G183 PolarHBondContact O-N 2.02Å; G180-G183 PolarHBondContact O-N 2.76Å; V181-G183 VanDerWaalsContact C-N 3.35Å; G183-I186 PolarHBondContact O-N 3.01Å; G183-I187 WeakPolarHBondContact O-CB 3.47Å; G183-I187 VanDerWaalsContact O-CG1 3.25Å; G183-I187 WeakPolarHBondContact O-CG1 3.34Å; G183-I187 PolarHBondContact O-N 3.33Å
184F83.7Confident77.9Confident144 Ų14496.7 Ų96.763%0.63251%0.505SS*.Hα-helixtrans-61-46.2176.6-175-97.9000111.7G180 V181 I182 I186 I187 S188G180-F184 WeakPolarHBondContact O-CB 3.41Å; G180-F184 PolarHBondContact O-N 3.09Å; V181-F184 PolarHBondContact O-N 3.36Å; I182-F184 PolarHBondContact O-N 3.14Å; F184-I186 PolarHBondContact O-N 2.72Å; F184-I187 PolarHBondContact O-N 2.74Å; F184-S188 WeakPolarHBondContact O-CB 2.96Å; F184-S188 PolarHBondContact O-N 2.83Å; F184-S188 PolarHBondContact O-OG 3.47Å; F184-S188 VanDerWaalsContact O-OG 3.05Å
185I88.4Confident79.7Confident104 Ų10498.2 Ų98.253%0.53351%0.512SS..Hα-helixtrans-61.2-44178.1-67.4166.2000111.3V181 I182 S188 F189V181-I185 HydrophobicContact CG1-CD1 3.94Å; V181-I185 VanDerWaalsContact O-CG1 3.28Å; V181-I185 WeakPolarHBondContact O-CG1 3.44Å; V181-I185 PolarHBondContact O-N 3.12Å; I182-I185 PolarHBondContact O-N 3.38Å; I185-S188 PolarHBondContact O-N 3.22Å; I185-F189 WeakPolarHBondContact O-CB 3.03Å; I185-F189 PolarHBondContact O-N 3.23Å
186I88.6Confident81.3Confident90 Ų9098 Ų9846%0.46251%0.507SS..Hα-helixtrans-64.8-45.1179.3-67.3168.1000110.8I182 G183 F184 F189 F190I182-I186 HydrophobicContact CG2-CD1 3.78Å; I182-I186 HydrophobicContact CG2-CG1 4.49Å; I182-I186 VanDerWaalsContact O-CG1 3.3Å; I182-I186 WeakPolarHBondContact O-CG1 3.33Å; I182-I186 PolarHBondContact O-N 3.08Å; G183-I186 PolarHBondContact O-N 3.01Å; F184-I186 PolarHBondContact O-N 2.72Å; I186-F189 PolarHBondContact O-N 3.11Å; I186-F190 HydrophobicContact CG2-CD2 4.01Å; I186-F190 HydrophobicContact CG2-CE2 4.29Å; I186-F190 PolarHBondContact O-N 3.02Å
187I87.7Confident82.6Confident105 Ų10592.5 Ų92.554%0.53849%0.493SS..Hα-helixtrans-63.3-44.5178.5-68.7166.7000110.4G183 F184 F189 F190 L191G183-I187 WeakPolarHBondContact O-CB 3.47Å; G183-I187 VanDerWaalsContact O-CG1 3.25Å; G183-I187 WeakPolarHBondContact O-CG1 3.34Å; G183-I187 PolarHBondContact O-N 3.33Å; F184-I187 PolarHBondContact O-N 2.74Å; I187-F189 VanDerWaalsContact C-N 3.33Å; I187-F189 PolarHBondContact O-N 3.39Å; I187-F190 PolarHBondContact O-N 3.01Å; I187-L191 HydrophobicContact CG2-CD1 4Å; I187-L191 HydrophobicContact CG2-CG 4.4Å; I187-L191 WeakPolarHBondContact O-CG 3.33Å; I187-L191 PolarHBondContact O-N 3.4Å
188S86.3Confident83.3Confident39 Ų3991.9 Ų91.927%0.27349%0.492SS..Hα-helixtrans-59.9-42.5176-64.60000111.9F184 I185 L191 I192F184-S188 WeakPolarHBondContact O-CB 2.96Å; F184-S188 PolarHBondContact O-N 2.83Å; F184-S188 PolarHBondContact O-OG 3.47Å; F184-S188 VanDerWaalsContact O-OG 3.05Å; I185-S188 PolarHBondContact O-N 3.22Å; S188-L191 PolarHBondContact O-N 2.77Å; S188-I192 VanDerWaalsContact O-CG1 3.26Å; S188-I192 WeakPolarHBondContact O-CG1 3.19Å; S188-I192 PolarHBondContact O-N 3.49Å
189F90.1Very high84Confident136 Ų13690.6 Ų90.660%0.59649%0.49SS*.Hα-helixtrans-64.1-42.3176.6-169.5-93.8000112.1I185 I186 I187 L191 I192 L193I185-F189 WeakPolarHBondContact O-CB 3.03Å; I185-F189 PolarHBondContact O-N 3.23Å; I186-F189 PolarHBondContact O-N 3.11Å; I187-F189 VanDerWaalsContact C-N 3.33Å; I187-F189 PolarHBondContact O-N 3.39Å; F189-L191 PolarHBondContact O-N 2.91Å; F189-I192 PolarHBondContact O-N 3.46Å; F189-L193 WeakPolarHBondContact O-CB 3.29Å; F189-L193 PolarHBondContact O-N 3.37Å
190F88.3Confident84.4Confident127 Ų12788.4 Ų88.456%0.55748%0.484SS*.Hα-helixtrans-62-41.8175.4-101.6-83.9000112.6I186 I187 L193 L194I186-F190 HydrophobicContact CG2-CD2 4.01Å; I186-F190 HydrophobicContact CG2-CE2 4.29Å; I186-F190 PolarHBondContact O-N 3.02Å; I187-F190 PolarHBondContact O-N 3.01Å; F190-L193 PolarHBondContact O-N 3.02Å; F190-L194 WeakPolarHBondContact O-CG 3.48Å; F190-L194 PolarHBondContact O-N 3.28Å
191L88.2Confident84.3Confident101 Ų10195.3 Ų95.353%0.52950%0.497SS..Hα-helixtrans-64.6-43.4176.7-71.3172000111.6I187 S188 F189 L193 L194 V195I187-L191 HydrophobicContact CG2-CD1 4Å; I187-L191 HydrophobicContact CG2-CG 4.4Å; I187-L191 WeakPolarHBondContact O-CG 3.33Å; I187-L191 PolarHBondContact O-N 3.4Å; S188-L191 PolarHBondContact O-N 2.77Å; F189-L191 PolarHBondContact O-N 2.91Å; L191-L193 VanDerWaalsContact C-N 3.32Å; L191-L193 PolarHBondContact O-N 3.43Å; L191-L194 PolarHBondContact O-N 2.88Å; L191-V195 WeakPolarHBondContact O-CG2 3.44Å; L191-V195 PolarHBondContact O-N 3.2Å
192I88.9Confident83.6Confident108 Ų10896.1 Ų96.155%0.55450%0.497SS*.Hα-helixtrans-61.3-43.3175-67.4165.1000110.4S188 F189 L194 V195 V196S188-I192 VanDerWaalsContact O-CG1 3.26Å; S188-I192 WeakPolarHBondContact O-CG1 3.19Å; S188-I192 PolarHBondContact O-N 3.49Å; F189-I192 PolarHBondContact O-N 3.46Å; I192-L194 VanDerWaalsContact C-N 3.35Å; I192-L194 PolarHBondContact O-N 2.86Å; I192-V195 PolarHBondContact O-N 3.2Å; I192-V196 HydrophobicContact CG2-CG2 4.43Å; I192-V196 WeakPolarHBondContact O-CG2 3.17Å; I192-V196 PolarHBondContact O-N 2.79Å
193L90.1Very high82.5Confident77 Ų77102.2 Ų102.240%0.40352%0.515SS..Hα-helixtrans-62-41.8177.6-166.778.6000111.8F189 F190 L191 V196 L197F189-L193 WeakPolarHBondContact O-CB 3.29Å; F189-L193 PolarHBondContact O-N 3.37Å; F190-L193 PolarHBondContact O-N 3.02Å; L191-L193 VanDerWaalsContact C-N 3.32Å; L191-L193 PolarHBondContact O-N 3.43Å; L193-V196 PolarHBondContact O-N 3.39Å; L193-L197 HydrophobicContact CD2-CD1 4.37Å; L193-L197 HydrophobicContact CG-CD1 4.12Å; L193-L197 WeakPolarHBondContact O-CB 3.2Å; L193-L197 VanDerWaalsContact O-CG 3.31Å; L193-L197 WeakPolarHBondContact O-CG 3.24Å; L193-L197 PolarHBondContact O-N 2.92Å
194L86.3Confident81.2Confident97 Ų97108.7 Ų108.751%0.50854%0.535SS..Hα-helixtrans-63.9-39.1176.1-74.5173.8000112.1F190 L191 I192 S198F190-L194 WeakPolarHBondContact O-CG 3.48Å; F190-L194 PolarHBondContact O-N 3.28Å; L191-L194 PolarHBondContact O-N 2.88Å; I192-L194 VanDerWaalsContact C-N 3.35Å; I192-L194 PolarHBondContact O-N 2.86Å; L194-S198 VanDerWaalsContact O-CB 3.25Å; L194-S198 WeakPolarHBondContact O-CB 3.39Å; L194-S198 PolarHBondContact O-N 3.38Å; L194-S198 PolarHBondContact O-OG 3.39Å
195V86.6Confident79.8Confident90 Ų90106.7 Ų106.755%0.54553%0.531SS..Hα-helixtrans-64.6-46.2174.4172.30000110.5L191 I192 S198 C199L191-V195 WeakPolarHBondContact O-CG2 3.44Å; L191-V195 PolarHBondContact O-N 3.2Å; I192-V195 PolarHBondContact O-N 3.2Å; V195-S198 PolarHBondContact O-N 2.92Å; V195-C199 WeakPolarHBondContact O-CB 3.22Å; V195-C199 PolarHBondContact O-N 2.68Å; V195-C199 PolarHBondContact O-SG 3.44Å
196V86.4Confident77.9Confident71 Ų71105.5 Ų105.543%0.4353%0.529SS..Hα-helixtrans-63.1-45.2178.3172.20000111.4I192 L193 S198 C199 I200I192-V196 HydrophobicContact CG2-CG2 4.43Å; I192-V196 WeakPolarHBondContact O-CG2 3.17Å; I192-V196 PolarHBondContact O-N 2.79Å; L193-V196 PolarHBondContact O-N 3.39Å; V196-S198 VanDerWaalsContact C-N 3.31Å; V196-S198 PolarHBondContact O-N 3.49Å; V196-C199 PolarHBondContact O-N 2.65Å; V196-I200 HydrophobicContact CG1-CD1 3.85Å; V196-I200 HydrophobicContact CG1-CG1 4.46Å; V196-I200 VanDerWaalsContact O-CG1 3.3Å; V196-I200 WeakPolarHBondContact O-CG1 3.29Å; V196-I200 PolarHBondContact O-N 3.23Å
197L83.1Confident75.8Confident95 Ų95104.3 Ų104.350%0.49754%0.538SS..Hα-helixtrans-62.5-38.9175.8-75.3168.9000111.6L193 I200 R201L193-L197 HydrophobicContact CD2-CD1 4.37Å; L193-L197 HydrophobicContact CG-CD1 4.12Å; L193-L197 WeakPolarHBondContact O-CB 3.2Å; L193-L197 VanDerWaalsContact O-CG 3.31Å; L193-L197 WeakPolarHBondContact O-CG 3.24Å; L193-L197 PolarHBondContact O-N 2.92Å; L197-I200 PolarHBondContact O-N 3.43Å; L197-R201 VanDerWaalsContact O-CB 3.29Å; L197-R201 WeakPolarHBondContact O-CB 3.45Å; L197-R201 PolarHBondContact O-N 3.1Å
198S78.4Confident73.7Confident62 Ų62105.7 Ų105.743%0.43455%0.545SS..Hα-helixtrans-65.6-42.7174.6-60.40000111.4L194 V195 V196 I200 R201 I202L194-S198 VanDerWaalsContact O-CB 3.25Å; L194-S198 WeakPolarHBondContact O-CB 3.39Å; L194-S198 PolarHBondContact O-N 3.38Å; L194-S198 PolarHBondContact O-OG 3.39Å; V195-S198 PolarHBondContact O-N 2.92Å; V196-S198 VanDerWaalsContact C-N 3.31Å; V196-S198 PolarHBondContact O-N 3.49Å; S198-I200 PolarHBondContact O-N 3.38Å; S198-R201 PolarHBondContact O-N 3.1Å; S198-I202 WeakPolarHBondContact O-CB 3.36Å; S198-I202 WeakPolarHBondContact O-CD1 2.91Å; S198-I202 WeakPolarHBondContact O-CG1 3.1Å; S198-I202 PolarHBondContact O-N 3.24Å
199C78.4Confident71.5Confident73 Ų73111.1 Ų111.149%0.49357%0.566SS.*Hα-helixtrans-63.1-40174-75.80000112.6V195 V196 R203V195-C199 WeakPolarHBondContact O-CB 3.22Å; V195-C199 PolarHBondContact O-N 2.68Å; V195-C199 PolarHBondContact O-SG 3.44Å; V196-C199 PolarHBondContact O-N 2.65Å; C199-R203 WeakPolarHBondContact O-CB 3.33Å; C199-R203 PolarHBondContact O-N 2.96Å
200I75.8Confident69.1Low98 Ų98113.8 Ų113.850%0.50358%0.577SS.*Hα-helixtrans-66.5-42.4174.9-68.2167.7000110.4V196 L197 S198 R203 K204V196-I200 HydrophobicContact CG1-CD1 3.85Å; V196-I200 HydrophobicContact CG1-CG1 4.46Å; V196-I200 VanDerWaalsContact O-CG1 3.3Å; V196-I200 WeakPolarHBondContact O-CG1 3.29Å; V196-I200 PolarHBondContact O-N 3.23Å; L197-I200 PolarHBondContact O-N 3.43Å; S198-I200 PolarHBondContact O-N 3.38Å; I200-R203 PolarHBondContact O-N 3.12Å; I200-K204 WeakPolarHBondContact O-CB 3.1Å; I200-K204 PolarHBondContact O-N 3.46Å
201R70.3Confident66.7Low189 Ų189114.6 Ų114.671%0.71359%0.588SS**Hα-helixtrans-66.3-40.1177.9-155.4175.1-166.8161.32.1111.7L197 S198 K204 N205L197-R201 VanDerWaalsContact O-CB 3.29Å; L197-R201 WeakPolarHBondContact O-CB 3.45Å; L197-R201 PolarHBondContact O-N 3.1Å; S198-R201 PolarHBondContact O-N 3.1Å; R201-K204 PolarHBondContact O-N 2.9Å; R201-N205 WeakPolarHBondContact O-CB 3.45Å; R201-N205 PolarHBondContact O-N 3.24Å
202I65.4Low64Low105 Ų105120.7 Ų120.754%0.53860%0.604SS.*Hα-helixtrans-63.7-44.8172.2-69.5164.3000110.2S198 K204 N205 T206S198-I202 WeakPolarHBondContact O-CB 3.36Å; S198-I202 WeakPolarHBondContact O-CD1 2.91Å; S198-I202 WeakPolarHBondContact O-CG1 3.1Å; S198-I202 PolarHBondContact O-N 3.24Å; I202-K204 VanDerWaalsContact C-N 3.32Å; I202-K204 PolarHBondContact O-N 3.32Å; I202-N205 PolarHBondContact O-N 3.01Å; I202-T206 HydrophobicContact CG2-CG2 4.34Å; I202-T206 WeakPolarHBondContact O-CB 3.36Å; I202-T206 PolarHBondContact O-N 2.77Å; I202-T206 PolarHBondContact O-OG1 3.2Å
203R59.2Low61.6Low207 Ų207123.1 Ų123.178%0.78161%0.613SS**Hα-helixtrans-60.4-39.5174.3-95-175.5171.8174.5-1.2112.6C199 I200 T206 G207C199-R203 WeakPolarHBondContact O-CB 3.33Å; C199-R203 PolarHBondContact O-N 2.96Å; I200-R203 PolarHBondContact O-N 3.12Å; R203-T206 VanDerWaalsContact CA-OG1 3.32Å; R203-T206 WeakPolarHBondContact CA-OG1 3.29Å; R203-T206 PolarHBondContact O-OG1 2.66Å; R203-G207 PolarHBondContact O-N 3.44Å
204K55.7Low58.8Low164 Ų164126.2 Ų126.271%0.71363%0.63SS**Hα-helixtrans-69.1-33.9177.8-154.7174.1-177.4179.20112.1I200 R201 I202I200-K204 WeakPolarHBondContact O-CB 3.1Å; I200-K204 PolarHBondContact O-N 3.46Å; R201-K204 PolarHBondContact O-N 2.9Å; I202-K204 VanDerWaalsContact C-N 3.32Å; I202-K204 PolarHBondContact O-N 3.32Å
205N53.9Low56.3Low102 Ų102127.7 Ų127.755%0.54564%0.643SS.*Hα-helixtrans-82.7-28.8175.7-74.61.2000113.7R201 I202 I208R201-N205 WeakPolarHBondContact O-CB 3.45Å; R201-N205 PolarHBondContact O-N 3.24Å; I202-N205 PolarHBondContact O-N 3.01Å; N205-I208 PolarHBondContact O-N 3.35Å
206T48.1Very low54.3Low80 Ų80128.5 Ų128.549%0.49165%0.65SS.*Hα-helixtrans-79.8-17.8174.340.10000112.9I202 R203 I208 H209I202-T206 HydrophobicContact CG2-CG2 4.34Å; I202-T206 WeakPolarHBondContact O-CB 3.36Å; I202-T206 PolarHBondContact O-N 2.77Å; I202-T206 PolarHBondContact O-OG1 3.2Å; R203-T206 VanDerWaalsContact CA-OG1 3.32Å; R203-T206 WeakPolarHBondContact CA-OG1 3.29Å; R203-T206 PolarHBondContact O-OG1 2.66Å; T206-I208 PolarHBondContact O-N 3.42Å; T206-H209 PolarHBondContact O-N 3.48Å
207G43.9Very low51.8Low64 Ų64132.1 Ų132.166%0.6667%0.667SS**THydrogen-bonded Turntrans-63.4-16.9164.300000114.1R203R203-G207 PolarHBondContact O-N 3.44Å
208I44.4Very low49.2Very low134 Ų134135.4 Ų135.469%0.68768%0.684SS**THydrogen-bonded Turntrans-98.2-18178.1-63.7172.2000111.9N205 T206N205-I208 PolarHBondContact O-N 3.35Å; T206-I208 PolarHBondContact O-N 3.42Å
209H39.9Very low47.2Very low154 Ų154140 Ų14071%0.71370%0.702SS**  trans-118.658.2-178.2-90.2-73.6000112.4T206 N211T206-H209 PolarHBondContact O-N 3.48Å; H209-N211 VanDerWaalsContact C-N 3.33Å; H209-N211 PolarHBondContact O-N 3.28Å
210K39.7Very low45.3Very low191 Ų191141.7 Ų141.783%0.8371%0.712SS**  trans-90.473.8159.3-139.7-174.1-168.9-175.70108.4
211N37.1Very low43Very low145 Ų145143 Ų14378%0.77572%0.72SS**  trans-168.2134.3158.5-105.9-21.7000112.2H209H209-N211 VanDerWaalsContact C-N 3.33Å; H209-N211 PolarHBondContact O-N 3.28Å
212R32.1Very low41Very low228 Ų228142.2 Ų142.286%0.8672%0.722SS**  trans84.5105.9175.5-58.9-179.3176.8178.6-1.8114.3
213E39.9Very low39.1Very low160 Ų160144.5 Ų144.575%0.74873%0.734SS**  108.2126.154-99.6-17515700110.3
214N31.1Very low37.5Very low142 Ų142138.9 Ų138.976%0.75973%0.726SS**  trans84.8111.9147.1-57.5-19.5000121.7
215V32.9Very low36.2Very low128 Ų128138.4 Ų138.478%0.77673%0.731SS**  trans-66.4164.3156.4-169.50000108.1
216P44.3Very low34.8Very low107 Ų107138 Ų13870%0.69574%0.736SS**  cis-147.1168.433.123.45.4000120.4
217N33.4Very low34Very low147 Ų147142.7 Ų142.779%0.78675%0.752SS**  trans23.8127.5145-65.2-16.4000121.7
218L30Very low33.6Very low164 Ų164144.2 Ų144.286%0.85975%0.75SS**  trans-150.1116.1140.5-99.1116.4000110.9
219I36.4Very low32.8Very low159 Ų159145.2 Ų145.282%0.81576%0.757SS**  trans-105.7136.2148.5-61.2169000104.9
220P37.6Very low32.3Very low108 Ų108144.8 Ų144.870%0.70176%0.758SS**  -144124.9118.228.5-8.9000114.4
221D28.9Very low31.9Very low125 Ų125140.8 Ų140.867%0.66875%0.752SS**  35.1133.2122.7-103.511.5000123.5
222K28.1Very low31.4Very low173 Ų173143.1 Ų143.175%0.75276%0.756SS**  trans82.1119136.5-77177.6-177.9174.90121.3
223L24.6Very low31.2Very low153 Ų153139 Ų13980%0.80175%0.749SS**  171.7109.9103.5-126.162.8000107.4
224S24.9Very low30.7Very low88 Ų88138 Ų13862%0.61575%0.749SS**  100.611986.164.30000113.5
225L28.7Very low30.9Very low155 Ų155140.7 Ų140.781%0.81276%0.757SS**  173.6111114.9-112.386.3000107.4
226S25.8Very low31Very low92 Ų92142.3 Ų142.364%0.64376%0.761SS**  77.98897.4169.90000112
227H30.3Very low30.2Very low179 Ų179140.6 Ų140.683%0.82975%0.752SS**  103.8161.995.3-95.7-10.7000111.9
228P35.2Very low30Very low96 Ų96141.2 Ų141.262%0.62375%0.753SS**  -131.6176.9-88.926.1-0.7000112.5
229N28.3Very low29.9Very low156 Ų156139.8 Ų139.883%0.83475%0.745SS**  trans41.292.1152.3-63.1-6.7000118.4
230I28.2Very low29.6Very low145 Ų145141.8 Ų141.874%0.74475%0.748SS**  trans-102.8121.4144.9-58.7174000105.6F232I230-F232 PolarHBondContact O-N 3.41Å; I230-F232 VanDerWaalsContact O-N 3.12Å
231P31.5Very low29Very low107 Ų107143.8 Ų143.870%0.69575%0.753SS**  trans-67.4112.7173.228-29.5000107.5I233P231-I233 PolarHBondContact O-N 3.42Å
232F26.5Very low29.1Very low194 Ų194148.9 Ų148.985%0.85178%0.778SS**PPolyproline II helixtrans-64.8116.5159-77.4-92.6000106.2I230I230-F232 PolarHBondContact O-N 3.41Å; I230-F232 VanDerWaalsContact O-N 3.12Å
233I29.4Very low29.2Very low142 Ų142147.7 Ų147.773%0.72878%0.779SS**PPolyproline II helixtrans-81.8116.9166.8-67.8172.5000105.6P231P231-I233 PolarHBondContact O-N 3.42Å
234D29.7Very low29.4Very low139 Ų139147.4 Ų147.474%0.74378%0.778SS**PPolyproline II helixtrans-52.7150.5173.3-75.7-47.1000112.1D236D234-D236 PolarHBondContact O-N 3.4Å
235E34.1Very low29.7Very low198 Ų198150.7 Ų150.793%0.92579%0.787SS**SBendtrans-64.112.7-172.2-69.6179.3143.900116.1
236D35.7Very low29.7Very low161 Ų161150.4 Ų150.486%0.86179%0.786SS**SBendtrans-138.346.1-171-80.8-36.7000115D234D234-D236 PolarHBondContact O-N 3.4Å
237S26.7Very low30Very low71 Ų71154.1 Ų154.150%0.49779%0.794SS.*  trans-159.4125.9164.256.60000116.7
238I30Very low30Very low161 Ų161152.4 Ų152.483%0.82679%0.792SS**  trans-148.793.9142.8-56.6-176.8000104.1
239I26.8Very low29.6Very low133 Ų133156.4 Ų156.468%0.68280%0.804SS**  38.996.472.6-50-178.8000113
240F31.4Very low29.7Very low202 Ų202156.5 Ų156.589%0.88680%0.802SS**  trans-72.6132.4160.9-69.1-92.1000108.9
241D24.3Very low29.8Very low150 Ų150157.4 Ų157.480%0.80281%0.807SS**  trans-139.3141.5157.9-135.1-14.1000109.7
242I31.7Very low29.7Very low231 Ų231162 Ų162100%1.18582%0.817SS**  trans-68.50-147.9-61.8165.8000114.5

Retrieved 242 of 242 residues in 131.4 ms (Link to these results)